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[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000383093004 710966412 /nfs/dbraw/zinc/96/64/12/710966412.db2.gz XSLBELXIXVQKQX-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000383093004 710966413 /nfs/dbraw/zinc/96/64/13/710966413.db2.gz XSLBELXIXVQKQX-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000385686932 711016561 /nfs/dbraw/zinc/01/65/61/711016561.db2.gz DGADHLPZZGDUBO-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000385686932 711016565 /nfs/dbraw/zinc/01/65/65/711016565.db2.gz DGADHLPZZGDUBO-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000392779801 711151634 /nfs/dbraw/zinc/15/16/34/711151634.db2.gz YQOJBJXDEGTKHN-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000392779801 711151637 /nfs/dbraw/zinc/15/16/37/711151637.db2.gz YQOJBJXDEGTKHN-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000397786532 711392330 /nfs/dbraw/zinc/39/23/30/711392330.db2.gz YJLPEPCBZQPZON-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000397786532 711392333 /nfs/dbraw/zinc/39/23/33/711392333.db2.gz YJLPEPCBZQPZON-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)CCCC ZINC000328088444 711689265 /nfs/dbraw/zinc/68/92/65/711689265.db2.gz IFIMZLOYQNPCNS-AWEZNQCLSA-N 2 1 224.392 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)CCCC ZINC000328088444 711689267 /nfs/dbraw/zinc/68/92/67/711689267.db2.gz IFIMZLOYQNPCNS-AWEZNQCLSA-N 2 1 224.392 2.500 20 30 BEEDMP CCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385397342 711705122 /nfs/dbraw/zinc/70/51/22/711705122.db2.gz UXUZQZJLBATSIB-OLZOCXBDSA-N 2 1 210.365 2.251 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385397342 711705125 /nfs/dbraw/zinc/70/51/25/711705125.db2.gz UXUZQZJLBATSIB-OLZOCXBDSA-N 2 1 210.365 2.251 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000702278928 712045147 /nfs/dbraw/zinc/04/51/47/712045147.db2.gz ZSSXKVIGTSOWEZ-XQQFMLRXSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000702278928 712045149 /nfs/dbraw/zinc/04/51/49/712045149.db2.gz ZSSXKVIGTSOWEZ-XQQFMLRXSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000702278922 712045175 /nfs/dbraw/zinc/04/51/75/712045175.db2.gz ZSSXKVIGTSOWEZ-AGIUHOORSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000702278922 712045176 /nfs/dbraw/zinc/04/51/76/712045176.db2.gz ZSSXKVIGTSOWEZ-AGIUHOORSA-N 2 1 222.376 2.107 20 30 BEEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000710016797 712240886 /nfs/dbraw/zinc/24/08/86/712240886.db2.gz LXGAEVLXFNRJEF-OLZOCXBDSA-N 2 1 237.391 2.246 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000715003337 712504069 /nfs/dbraw/zinc/50/40/69/712504069.db2.gz VHFMCVGSAGXRHW-AVGNSLFASA-N 2 1 208.349 2.012 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000715003335 712504233 /nfs/dbraw/zinc/50/42/33/712504233.db2.gz VHFMCVGSAGXRHW-AGIUHOORSA-N 2 1 208.349 2.012 20 30 BEEDMP C#C[C@](C)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100298 969394383 /nfs/dbraw/zinc/39/43/83/969394383.db2.gz IJUIDNXEMQDRHC-YIYPIFLZSA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@](C)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100298 969394390 /nfs/dbraw/zinc/39/43/90/969394390.db2.gz IJUIDNXEMQDRHC-YIYPIFLZSA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@](C)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100297 969389588 /nfs/dbraw/zinc/38/95/88/969389588.db2.gz IJUIDNXEMQDRHC-XJFOESAGSA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@H]1CCC[N@H+]([C@@H](C)CC[NH+](CC)CC)C1 ZINC001255963795 970599847 /nfs/dbraw/zinc/59/98/47/970599847.db2.gz KOJSBACZYGTUKR-GJZGRUSLSA-N 2 1 236.403 2.452 20 30 BEEDMP C=CC[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC001235962091 979237034 /nfs/dbraw/zinc/23/70/34/979237034.db2.gz KJYOAIOHFSGWIK-UHFFFAOYSA-N 2 1 218.344 2.414 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173328262 1168686306 /nfs/dbraw/zinc/68/63/06/1168686306.db2.gz UZHJZONMXIKHPF-SHARSMKWSA-N 2 1 249.402 2.390 20 30 BEEDMP C=CCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580919 972938073 /nfs/dbraw/zinc/93/80/73/972938073.db2.gz OHKSLJYXCZUBKQ-CHWSQXEVSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580919 972938095 /nfs/dbraw/zinc/93/80/95/972938095.db2.gz OHKSLJYXCZUBKQ-CHWSQXEVSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CC[N@H+](C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573818 970867036 /nfs/dbraw/zinc/86/70/36/970867036.db2.gz OQFLNEDPJLZATC-UHFFFAOYSA-N 2 1 210.365 2.367 20 30 BEEDMP CC[N@@H+](C)C1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256971109 971049095 /nfs/dbraw/zinc/04/90/95/971049095.db2.gz CEPJHYQKYMFIBX-UHFFFAOYSA-N 2 1 249.402 2.485 20 30 BEEDMP CCCCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405514220 971264085 /nfs/dbraw/zinc/26/40/85/971264085.db2.gz GTZWMCQFKUMABU-ZIAGYGMSSA-N 2 1 242.407 2.252 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000715052076 958439995 /nfs/dbraw/zinc/43/99/95/958439995.db2.gz HGYPRNRLOFNEFP-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708829309 959860407 /nfs/dbraw/zinc/86/04/07/959860407.db2.gz BRLRPMFQIHZIBN-QWHCGFSZSA-N 2 1 210.365 2.259 20 30 BEEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@H](C#N)C1 ZINC001167838429 961214098 /nfs/dbraw/zinc/21/40/98/961214098.db2.gz UIZPMYGEHAYTRX-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP C#Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)cc1 ZINC001206633306 962156129 /nfs/dbraw/zinc/15/61/29/962156129.db2.gz VRZXZTOQFZILSX-MRXNPFEDSA-N 2 1 242.366 2.229 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254669350 1169818108 /nfs/dbraw/zinc/81/81/08/1169818108.db2.gz RINXBGDARFUTBA-GXTWGEPZSA-N 2 1 235.375 2.095 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254669350 1169818121 /nfs/dbraw/zinc/81/81/21/1169818121.db2.gz RINXBGDARFUTBA-GXTWGEPZSA-N 2 1 235.375 2.095 20 30 BEEDMP C#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167971230 963048003 /nfs/dbraw/zinc/04/80/03/963048003.db2.gz UEPPCZPALNXKJN-GOOCMWNKSA-N 2 1 244.382 2.147 20 30 BEEDMP C#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167971230 963048013 /nfs/dbraw/zinc/04/80/13/963048013.db2.gz UEPPCZPALNXKJN-GOOCMWNKSA-N 2 1 244.382 2.147 20 30 BEEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236412080 966409678 /nfs/dbraw/zinc/40/96/78/966409678.db2.gz QDMUFKSGDMIYMY-WCVJEAGWSA-N 2 1 246.398 2.439 20 30 BEEDMP C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236412080 966409686 /nfs/dbraw/zinc/40/96/86/966409686.db2.gz QDMUFKSGDMIYMY-WCVJEAGWSA-N 2 1 246.398 2.439 20 30 BEEDMP C#Cc1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)c1 ZINC001205280610 967469670 /nfs/dbraw/zinc/46/96/70/967469670.db2.gz DFYZGTJFQODAPA-MRXNPFEDSA-N 2 1 242.366 2.371 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205545761 967688684 /nfs/dbraw/zinc/68/86/84/967688684.db2.gz MXOQMNXOYJFRAW-CYBMUJFWSA-N 2 1 228.355 2.496 20 30 BEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001208598037 969151785 /nfs/dbraw/zinc/15/17/85/969151785.db2.gz QVRGQUULITWWRU-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP C#C[C@](C)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100297 969389583 /nfs/dbraw/zinc/38/95/83/969389583.db2.gz IJUIDNXEMQDRHC-XJFOESAGSA-N 2 1 220.360 2.003 20 30 BEEDMP C=CCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209207397 969393373 /nfs/dbraw/zinc/39/33/73/969393373.db2.gz XBCSAEHERWNNBN-ZIAGYGMSSA-N 2 1 222.376 2.226 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C#N)CC1)C2 ZINC001169089893 969407081 /nfs/dbraw/zinc/40/70/81/969407081.db2.gz GKYXBVGHXNEUKI-CUZDEVPKSA-N 2 1 247.386 2.284 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169115562 969459369 /nfs/dbraw/zinc/45/93/69/969459369.db2.gz KUHSEBYVQGDJQP-ZSOGYDGISA-N 2 1 220.360 2.005 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](C#N)CC1)C2 ZINC001169146080 969461882 /nfs/dbraw/zinc/46/18/82/969461882.db2.gz OJTKFUBCOJDULR-APIJFGDWSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@@H](C#N)CC1)C2 ZINC001169146080 969461896 /nfs/dbraw/zinc/46/18/96/969461896.db2.gz OJTKFUBCOJDULR-APIJFGDWSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@@H](C#N)CC1)C2 ZINC001169146080 969461905 /nfs/dbraw/zinc/46/19/05/969461905.db2.gz OJTKFUBCOJDULR-APIJFGDWSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](C#N)CC1)C2 ZINC001169146082 969466930 /nfs/dbraw/zinc/46/69/30/969466930.db2.gz OJTKFUBCOJDULR-BYNSBNAKSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H](C#N)CC1)C2 ZINC001169146082 969466934 /nfs/dbraw/zinc/46/69/34/969466934.db2.gz OJTKFUBCOJDULR-BYNSBNAKSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H](C#N)CC1)C2 ZINC001169146082 969466944 /nfs/dbraw/zinc/46/69/44/969466944.db2.gz OJTKFUBCOJDULR-BYNSBNAKSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001254507887 969652363 /nfs/dbraw/zinc/65/23/63/969652363.db2.gz OIMOBDBIFQAIBI-NSHDSACASA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001254507887 969652369 /nfs/dbraw/zinc/65/23/69/969652369.db2.gz OIMOBDBIFQAIBI-NSHDSACASA-N 2 1 249.383 2.194 20 30 BEEDMP C/C=C(\NC=[NH2+])[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001169746237 969834901 /nfs/dbraw/zinc/83/49/01/969834901.db2.gz ATEBMBQTKABWAX-BIIKFXOESA-N 2 1 232.331 2.251 20 30 BEEDMP CC[C@H](CC#N)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001255175053 969992509 /nfs/dbraw/zinc/99/25/09/969992509.db2.gz MDFMTAVJIMRXPO-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP C#CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383346 970129072 /nfs/dbraw/zinc/12/90/72/970129072.db2.gz HVPDGNXGOFQLHM-MRXNPFEDSA-N 2 1 242.366 2.264 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553412 972751203 /nfs/dbraw/zinc/75/12/03/972751203.db2.gz RSMALACJWSNUBE-CHWSQXEVSA-N 2 1 223.364 2.272 20 30 BEEDMP C[C@H]1CC[N@H+](C2CCC(C#N)CC2)CC[C@H]1C[NH3+] ZINC001246561386 972786696 /nfs/dbraw/zinc/78/66/96/972786696.db2.gz SICDTCBFVOSLCM-LQULJDIASA-N 2 1 249.402 2.376 20 30 BEEDMP C[C@H]1CC[N@H+](C2CCC(C#N)CC2)CC[C@@H]1C[NH3+] ZINC001246560729 972795671 /nfs/dbraw/zinc/79/56/71/972795671.db2.gz SICDTCBFVOSLCM-FGZQJIAISA-N 2 1 249.402 2.376 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246605782 973027854 /nfs/dbraw/zinc/02/78/54/973027854.db2.gz CYYPFMILZMEVAQ-KGLIPLIRSA-N 2 1 235.375 2.287 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001330608026 974354718 /nfs/dbraw/zinc/35/47/18/974354718.db2.gz LLFFPMQRBSDESM-RDBSUJKOSA-N 2 1 237.391 2.389 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@](C)(C#N)C1)C2 ZINC001172130395 974356286 /nfs/dbraw/zinc/35/62/86/974356286.db2.gz OQRHJHLIKYETJN-CBBWQLFWSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@](C)(C#N)C1)C2 ZINC001172130396 974357328 /nfs/dbraw/zinc/35/73/28/974357328.db2.gz OQRHJHLIKYETJN-LXTVHRRPSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C#N)CC1)C2 ZINC001172115445 974384908 /nfs/dbraw/zinc/38/49/08/974384908.db2.gz XSYXKLBPWUVIBQ-FICVDOATSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC(C#N)CC1)C2 ZINC001172115445 974384914 /nfs/dbraw/zinc/38/49/14/974384914.db2.gz XSYXKLBPWUVIBQ-FICVDOATSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#N)CC1)C2 ZINC001172115445 974384928 /nfs/dbraw/zinc/38/49/28/974384928.db2.gz XSYXKLBPWUVIBQ-FICVDOATSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#N)CC1)C2 ZINC001172115445 974384935 /nfs/dbraw/zinc/38/49/35/974384935.db2.gz XSYXKLBPWUVIBQ-FICVDOATSA-N 2 1 247.386 2.237 20 30 BEEDMP C#C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172123576 974387672 /nfs/dbraw/zinc/38/76/72/974387672.db2.gz FDMCOZCIBBQOBH-LVQVYYBASA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123576 974387684 /nfs/dbraw/zinc/38/76/84/974387684.db2.gz FDMCOZCIBBQOBH-LVQVYYBASA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123576 974387693 /nfs/dbraw/zinc/38/76/93/974387693.db2.gz FDMCOZCIBBQOBH-LVQVYYBASA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123576 974387703 /nfs/dbraw/zinc/38/77/03/974387703.db2.gz FDMCOZCIBBQOBH-LVQVYYBASA-N 2 1 246.398 2.347 20 30 BEEDMP C#CC[N@@H+](CC1CC1)C1CC[NH+](CC2CC2)CC1 ZINC001331158115 974625588 /nfs/dbraw/zinc/62/55/88/974625588.db2.gz MRFBJGBSIRJBFJ-UHFFFAOYSA-N 2 1 246.398 2.206 20 30 BEEDMP CCC[N@@H+](CCC[NH3+])[C@H](C)CCCC#N ZINC001172481323 974781421 /nfs/dbraw/zinc/78/14/21/974781421.db2.gz SWJSQXIXIWTGSR-GFCCVEGCSA-N 2 1 211.353 2.130 20 30 BEEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592090 975439162 /nfs/dbraw/zinc/43/91/62/975439162.db2.gz FLUCUUKHXWIJAC-LQULJDIASA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592090 975439184 /nfs/dbraw/zinc/43/91/84/975439184.db2.gz FLUCUUKHXWIJAC-LQULJDIASA-N 2 1 249.402 2.389 20 30 BEEDMP CCCCCCC[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000323637424 976434944 /nfs/dbraw/zinc/43/49/44/976434944.db2.gz QXQILEKSOCDRCL-CYBMUJFWSA-N 2 1 212.381 2.498 20 30 BEEDMP N#CC1CC[NH+](Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011997 977837567 /nfs/dbraw/zinc/83/75/67/977837567.db2.gz RYBGMYXUEGWFTD-UHFFFAOYSA-N 2 1 240.310 2.298 20 30 BEEDMP CCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024848 978954827 /nfs/dbraw/zinc/95/48/27/978954827.db2.gz QGLSJKXIRGUPCP-UHFFFAOYSA-N 2 1 210.365 2.252 20 30 BEEDMP CCCCCCCC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146961 978980429 /nfs/dbraw/zinc/98/04/29/978980429.db2.gz OXBFIDGPYIRLHB-STQMWFEESA-N 2 1 210.365 2.380 20 30 BEEDMP CCCCCCCC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146961 978980434 /nfs/dbraw/zinc/98/04/34/978980434.db2.gz OXBFIDGPYIRLHB-STQMWFEESA-N 2 1 210.365 2.380 20 30 BEEDMP CCCCCCCC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412495 979587404 /nfs/dbraw/zinc/58/74/04/979587404.db2.gz VSGUWVPFKDOBHK-WDNDVIMCSA-N 2 1 224.392 2.497 20 30 BEEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001205255036 979732798 /nfs/dbraw/zinc/73/27/98/979732798.db2.gz FEXICVHSQRFPOB-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000397786535 986998966 /nfs/dbraw/zinc/99/89/66/986998966.db2.gz YJLPEPCBZQPZON-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000397786535 986998977 /nfs/dbraw/zinc/99/89/77/986998977.db2.gz YJLPEPCBZQPZON-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C[C@H]1CC[C@@H]([NH2+]C23CCC(C#N)(CC2)CC3)C[NH2+]1 ZINC001246264658 987658492 /nfs/dbraw/zinc/65/84/92/987658492.db2.gz NZFUGOJPUALYBM-ZUJMUWTESA-N 2 1 247.386 2.333 20 30 BEEDMP C[C@H]1CC[C@H]([NH2+]C23CCC(C#N)(CC2)CC3)C[NH2+]1 ZINC001246264654 987660339 /nfs/dbraw/zinc/66/03/39/987660339.db2.gz NZFUGOJPUALYBM-HESLUPGFSA-N 2 1 247.386 2.333 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]C[C@H]4C[C@H]43)C[C@H](C1)C2 ZINC001246501158 987856733 /nfs/dbraw/zinc/85/67/33/987856733.db2.gz ANJBIBZAHSALKO-IKQLZHDRSA-N 2 1 246.398 2.319 20 30 BEEDMP CC[C@@H](CC#N)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246578452 988091590 /nfs/dbraw/zinc/09/15/90/988091590.db2.gz RDYSGIJQFAECFF-STQMWFEESA-N 2 1 223.364 2.130 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4C[NH2+]C[C@H]43)C[C@H](C1)C2 ZINC001246647260 988365050 /nfs/dbraw/zinc/36/50/50/988365050.db2.gz QOBNHGBGOADQSJ-YSEJDXQZSA-N 2 1 246.398 2.415 20 30 BEEDMP C=CC[N@H+]([C@H]1CCCC[NH2+]C1)C(C)(C)C ZINC001246919750 988731873 /nfs/dbraw/zinc/73/18/73/988731873.db2.gz KMPFVSRTTWSFGP-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[N@@H+]([C@H]1CCCC[NH2+]C1)C(C)(C)C ZINC001246919750 988731883 /nfs/dbraw/zinc/73/18/83/988731883.db2.gz KMPFVSRTTWSFGP-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC001325724369 989245444 /nfs/dbraw/zinc/24/54/44/989245444.db2.gz WRDZSMJVXHIZJW-WDEREUQCSA-N 2 1 249.333 2.346 20 30 BEEDMP C#CC[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027918 991489434 /nfs/dbraw/zinc/48/94/34/991489434.db2.gz GTCJYUFRLFLJDJ-UHFFFAOYSA-N 2 1 239.322 2.246 20 30 BEEDMP C#CC[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027918 991489439 /nfs/dbraw/zinc/48/94/39/991489439.db2.gz GTCJYUFRLFLJDJ-UHFFFAOYSA-N 2 1 239.322 2.246 20 30 BEEDMP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001258775263 991737034 /nfs/dbraw/zinc/73/70/34/991737034.db2.gz HTQCAASXDUKGQD-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001258775263 991737039 /nfs/dbraw/zinc/73/70/39/991737039.db2.gz HTQCAASXDUKGQD-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP CCC[NH+]1CCC([NH+]2CCC(C#N)CC2)CC1 ZINC001258771521 991740160 /nfs/dbraw/zinc/74/01/60/991740160.db2.gz HQTSAYQEMVJNAJ-UHFFFAOYSA-N 2 1 235.375 2.096 20 30 BEEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC001319905576 992030113 /nfs/dbraw/zinc/03/01/13/992030113.db2.gz LOVUCUIFHQNLCH-UHFFFAOYSA-N 2 1 245.370 2.317 20 30 BEEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)CC1CC1 ZINC001319905576 992030128 /nfs/dbraw/zinc/03/01/28/992030128.db2.gz LOVUCUIFHQNLCH-UHFFFAOYSA-N 2 1 245.370 2.317 20 30 BEEDMP C=CC[C@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001574900220 992943188 /nfs/dbraw/zinc/94/31/88/992943188.db2.gz TYOFHSILNDDRLJ-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CC[N@H+](CCc1ccco1)CC[C@H]1CC[NH2+]C1 ZINC001574929421 992946297 /nfs/dbraw/zinc/94/62/97/992946297.db2.gz CNZRXXMVBPEVTF-CQSZACIVSA-N 2 1 248.370 2.310 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602525951 349577667 /nfs/dbraw/zinc/57/76/67/349577667.db2.gz UHRLDWUWRMZREA-UONOGXRCSA-N 2 1 237.391 2.248 20 30 BEEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602524880 349577853 /nfs/dbraw/zinc/57/78/53/349577853.db2.gz GTGQZNYKLWCOMY-UONOGXRCSA-N 2 1 237.391 2.248 20 30 BEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602508353 349583337 /nfs/dbraw/zinc/58/33/37/349583337.db2.gz BINXMKCCGSBOSY-QWHCGFSZSA-N 2 1 248.374 2.357 20 30 BEEDMP N#CC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000602514574 349587047 /nfs/dbraw/zinc/58/70/47/349587047.db2.gz NXLLOALMNJPUBU-NEXFUWMNSA-N 2 1 247.386 2.285 20 30 BEEDMP N#CC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000602514574 349587048 /nfs/dbraw/zinc/58/70/48/349587048.db2.gz NXLLOALMNJPUBU-NEXFUWMNSA-N 2 1 247.386 2.285 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602538719 349604603 /nfs/dbraw/zinc/60/46/03/349604603.db2.gz HJAAVXXTKRGIRR-CYBMUJFWSA-N 2 1 235.375 2.166 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000390798773 398315647 /nfs/dbraw/zinc/31/56/47/398315647.db2.gz VRLAQLJJDIFDBT-ZDUSSCGKSA-N 2 1 208.349 2.028 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000221946328 259328429 /nfs/dbraw/zinc/32/84/29/259328429.db2.gz IXMUKACFFOKULK-YNEHKIRRSA-N 2 1 242.432 2.224 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000602650607 349659397 /nfs/dbraw/zinc/65/93/97/349659397.db2.gz ZQBUIFDOZVNHIZ-CQSZACIVSA-N 2 1 237.391 2.344 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602652947 349660241 /nfs/dbraw/zinc/66/02/41/349660241.db2.gz FSNRTBHOAKIYSB-JKXDFHQYSA-N 2 1 249.402 2.483 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602652947 349660242 /nfs/dbraw/zinc/66/02/42/349660242.db2.gz FSNRTBHOAKIYSB-JKXDFHQYSA-N 2 1 249.402 2.483 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602652947 349660244 /nfs/dbraw/zinc/66/02/44/349660244.db2.gz FSNRTBHOAKIYSB-JKXDFHQYSA-N 2 1 249.402 2.483 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000602684966 349677003 /nfs/dbraw/zinc/67/70/03/349677003.db2.gz CEYHQFYJZIUIHY-CYBMUJFWSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000602684966 349677005 /nfs/dbraw/zinc/67/70/05/349677005.db2.gz CEYHQFYJZIUIHY-CYBMUJFWSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000602687936 349678678 /nfs/dbraw/zinc/67/86/78/349678678.db2.gz RBRKIGOYWQYYDK-KBPBESRZSA-N 2 1 237.391 2.248 20 30 BEEDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1(CC#N)CC1)C2 ZINC000602835247 349775660 /nfs/dbraw/zinc/77/56/60/349775660.db2.gz IGDNCWZYRMATFL-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1(CC#N)CC1)C2 ZINC000602835247 349775661 /nfs/dbraw/zinc/77/56/61/349775661.db2.gz IGDNCWZYRMATFL-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1(CC#N)CC1)C2 ZINC000602835247 349775664 /nfs/dbraw/zinc/77/56/64/349775664.db2.gz IGDNCWZYRMATFL-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1(CC#N)CC1)C2 ZINC000602835247 349775665 /nfs/dbraw/zinc/77/56/65/349775665.db2.gz IGDNCWZYRMATFL-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C=CCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000070593228 343333686 /nfs/dbraw/zinc/33/36/86/343333686.db2.gz LAAYZYZVPSTBDR-FUNVUKJBSA-N 2 1 208.349 2.167 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000295066157 346354906 /nfs/dbraw/zinc/35/49/06/346354906.db2.gz ROFZESZXFZWCAW-GFCCVEGCSA-N 2 1 236.384 2.354 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000295066157 346354909 /nfs/dbraw/zinc/35/49/09/346354909.db2.gz ROFZESZXFZWCAW-GFCCVEGCSA-N 2 1 236.384 2.354 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000295066383 346354994 /nfs/dbraw/zinc/35/49/94/346354994.db2.gz RPTFQYURIOPUDC-ZDUSSCGKSA-N 2 1 248.345 2.431 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000295066383 346354997 /nfs/dbraw/zinc/35/49/97/346354997.db2.gz RPTFQYURIOPUDC-ZDUSSCGKSA-N 2 1 248.345 2.431 20 30 BEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000589195488 346672899 /nfs/dbraw/zinc/67/28/99/346672899.db2.gz ZRQXOJKOOMJJIE-RRFJBIMHSA-N 2 1 249.402 2.389 20 30 BEEDMP CCC[NH+]1CCC([N@H+](C)CCCC#N)CC1 ZINC000109787609 347465363 /nfs/dbraw/zinc/46/53/63/347465363.db2.gz QKNLHDVZYYOSEF-UHFFFAOYSA-N 2 1 223.364 2.096 20 30 BEEDMP CCC[NH+]1CCC([N@@H+](C)CCCC#N)CC1 ZINC000109787609 347465367 /nfs/dbraw/zinc/46/53/67/347465367.db2.gz QKNLHDVZYYOSEF-UHFFFAOYSA-N 2 1 223.364 2.096 20 30 BEEDMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591579960 347677772 /nfs/dbraw/zinc/67/77/72/347677772.db2.gz BMHZGNNVFBQKAS-DZGCQCFKSA-N 2 1 243.354 2.263 20 30 BEEDMP CCC([NH3+])(CC)C[NH2+]Cc1cccc(C#N)c1 ZINC000592986156 347836755 /nfs/dbraw/zinc/83/67/55/347836755.db2.gz VOOROIWOGYPDPF-UHFFFAOYSA-N 2 1 231.343 2.165 20 30 BEEDMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C#N)cc1 ZINC000596648254 348604183 /nfs/dbraw/zinc/60/41/83/348604183.db2.gz NHHKDUIIQRRGHK-LBPRGKRZSA-N 2 1 243.354 2.480 20 30 BEEDMP C=CCCSCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000596649909 348605043 /nfs/dbraw/zinc/60/50/43/348605043.db2.gz HJBSMNVHQKTWIQ-STQMWFEESA-N 2 1 242.432 2.416 20 30 BEEDMP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000596650386 348606164 /nfs/dbraw/zinc/60/61/64/348606164.db2.gz HTLJYMFDYOPYSR-RYUDHWBXSA-N 2 1 223.364 2.176 20 30 BEEDMP N#CC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000596653886 348607640 /nfs/dbraw/zinc/60/76/40/348607640.db2.gz XOQHZNZAWXILEL-STQMWFEESA-N 2 1 235.375 2.177 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000599071123 349087705 /nfs/dbraw/zinc/08/77/05/349087705.db2.gz QOTUSEWDOUGCIK-ZNMIVQPWSA-N 2 1 249.402 2.390 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000599071838 349088070 /nfs/dbraw/zinc/08/80/70/349088070.db2.gz UQFFPVLXUZYXOF-MGPQQGTHSA-N 2 1 235.375 2.000 20 30 BEEDMP C[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000001599825 350184839 /nfs/dbraw/zinc/18/48/39/350184839.db2.gz JLVLYPRQDMRODM-HZPDHXFCSA-N 2 1 248.414 2.454 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249036969 350868191 /nfs/dbraw/zinc/86/81/91/350868191.db2.gz STWUQGQKXKEIHH-MCIONIFRSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336710277 351079615 /nfs/dbraw/zinc/07/96/15/351079615.db2.gz TVZZUNOKMRXEQL-NSHDSACASA-N 2 1 208.349 2.167 20 30 BEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CCC#N)C1 ZINC000618887610 352161006 /nfs/dbraw/zinc/16/10/06/352161006.db2.gz CZWRAUDTRUNQKX-KBPBESRZSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000618887610 352161009 /nfs/dbraw/zinc/16/10/09/352161009.db2.gz CZWRAUDTRUNQKX-KBPBESRZSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000618887610 352161011 /nfs/dbraw/zinc/16/10/11/352161011.db2.gz CZWRAUDTRUNQKX-KBPBESRZSA-N 2 1 237.391 2.200 20 30 BEEDMP C#Cc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000289373109 352182402 /nfs/dbraw/zinc/18/24/02/352182402.db2.gz ZYKZZHWIIGBWTH-UHFFFAOYSA-N 2 1 244.382 2.488 20 30 BEEDMP C#Cc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000289373109 352182405 /nfs/dbraw/zinc/18/24/05/352182405.db2.gz ZYKZZHWIIGBWTH-UHFFFAOYSA-N 2 1 244.382 2.488 20 30 BEEDMP C[C@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000411315652 191177748 /nfs/dbraw/zinc/17/77/48/191177748.db2.gz UTEHAJGNZWKEJF-CABCVRRESA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000411315652 191177749 /nfs/dbraw/zinc/17/77/49/191177749.db2.gz UTEHAJGNZWKEJF-CABCVRRESA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@H](CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000411315654 191177969 /nfs/dbraw/zinc/17/79/69/191177969.db2.gz UTEHAJGNZWKEJF-HUUCEWRRSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000411315654 191177972 /nfs/dbraw/zinc/17/79/72/191177972.db2.gz UTEHAJGNZWKEJF-HUUCEWRRSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411439224 191186024 /nfs/dbraw/zinc/18/60/24/191186024.db2.gz DRTNDBGLIIDEJK-ZDUSSCGKSA-N 2 1 235.375 2.239 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411439224 191186025 /nfs/dbraw/zinc/18/60/25/191186025.db2.gz DRTNDBGLIIDEJK-ZDUSSCGKSA-N 2 1 235.375 2.239 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000336751426 353059652 /nfs/dbraw/zinc/05/96/52/353059652.db2.gz VHVYOWJQLPMROU-OLZOCXBDSA-N 2 1 222.376 2.273 20 30 BEEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000336763838 353250934 /nfs/dbraw/zinc/25/09/34/353250934.db2.gz PQZBKKJHGWQTOQ-STQMWFEESA-N 2 1 210.365 2.273 20 30 BEEDMP C[NH+](C)[C@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000343433443 353885113 /nfs/dbraw/zinc/88/51/13/353885113.db2.gz VBVFVVGCBVSLNX-CYBMUJFWSA-N 2 1 237.391 2.246 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351424418 355988611 /nfs/dbraw/zinc/98/86/11/355988611.db2.gz VZWGPEWITSQKHW-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351424418 355988617 /nfs/dbraw/zinc/98/86/17/355988617.db2.gz VZWGPEWITSQKHW-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420392281 192236591 /nfs/dbraw/zinc/23/65/91/192236591.db2.gz ZOKYOVQZHDJZBH-ZDUSSCGKSA-N 2 1 208.349 2.028 20 30 BEEDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000133351514 358751825 /nfs/dbraw/zinc/75/18/25/358751825.db2.gz ATYZGYQULXQGEJ-OAHLLOKOSA-N 2 1 245.370 2.363 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629396363 361044959 /nfs/dbraw/zinc/04/49/59/361044959.db2.gz LCKTVGGSEOIUFQ-RWMBFGLXSA-N 2 1 210.365 2.461 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397796 361047636 /nfs/dbraw/zinc/04/76/36/361047636.db2.gz ZXSZECBEBVPKPZ-QNWHQSFQSA-N 2 1 210.365 2.317 20 30 BEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[C@H](C#N)C1 ZINC000429697240 201126150 /nfs/dbraw/zinc/12/61/50/201126150.db2.gz IHPASQLALPMCLA-RRFJBIMHSA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[C@H](C#N)C1 ZINC000429697240 201126153 /nfs/dbraw/zinc/12/61/53/201126153.db2.gz IHPASQLALPMCLA-RRFJBIMHSA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CC[C@H](C#N)C1 ZINC000429697240 201126156 /nfs/dbraw/zinc/12/61/56/201126156.db2.gz IHPASQLALPMCLA-RRFJBIMHSA-N 2 1 249.402 2.485 20 30 BEEDMP C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000629534996 361408544 /nfs/dbraw/zinc/40/85/44/361408544.db2.gz CBSVCUGVHLFWNO-YUTCNCBUSA-N 2 1 222.376 2.461 20 30 BEEDMP C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000629534985 361408765 /nfs/dbraw/zinc/40/87/65/361408765.db2.gz CBSVCUGVHLFWNO-BNOWGMLFSA-N 2 1 222.376 2.461 20 30 BEEDMP CC#CCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000155855072 201358059 /nfs/dbraw/zinc/35/80/59/201358059.db2.gz SHJZGPBRTJQFGV-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252732830 364673149 /nfs/dbraw/zinc/67/31/49/364673149.db2.gz WTQZSEYGIKHMEH-AVGNSLFASA-N 2 1 208.349 2.167 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000295110852 364778525 /nfs/dbraw/zinc/77/85/25/364778525.db2.gz XICYKXWOODPZGF-CQSZACIVSA-N 2 1 230.355 2.292 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000295110852 364778530 /nfs/dbraw/zinc/77/85/30/364778530.db2.gz XICYKXWOODPZGF-CQSZACIVSA-N 2 1 230.355 2.292 20 30 BEEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CCC#N)C1 ZINC000574393357 365051067 /nfs/dbraw/zinc/05/10/67/365051067.db2.gz VOVWHHDDXCNNJV-OKILXGFUSA-N 2 1 237.391 2.248 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384849785 367743433 /nfs/dbraw/zinc/74/34/33/367743433.db2.gz LAPFDFNWINPSNT-CHWSQXEVSA-N 2 1 222.376 2.415 20 30 BEEDMP C[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)[C@@H]1CC[NH3+] ZINC000600769246 369564538 /nfs/dbraw/zinc/56/45/38/369564538.db2.gz KMNCSBQKGHZOGE-SMDDNHRTSA-N 2 1 247.342 2.101 20 30 BEEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1CC[NH3+] ZINC000600769246 369564545 /nfs/dbraw/zinc/56/45/45/369564545.db2.gz KMNCSBQKGHZOGE-SMDDNHRTSA-N 2 1 247.342 2.101 20 30 BEEDMP CC#CCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000155915016 206071452 /nfs/dbraw/zinc/07/14/52/206071452.db2.gz UKCXCRFEOMJLOU-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP CC#CCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000155915016 206071457 /nfs/dbraw/zinc/07/14/57/206071457.db2.gz UKCXCRFEOMJLOU-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP CC#CCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000155915016 206071462 /nfs/dbraw/zinc/07/14/62/206071462.db2.gz UKCXCRFEOMJLOU-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C=C(C)C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174209368 384307373 /nfs/dbraw/zinc/30/73/73/384307373.db2.gz FTUSBHUNGXQLEX-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174209368 384307382 /nfs/dbraw/zinc/30/73/82/384307382.db2.gz FTUSBHUNGXQLEX-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CC[C@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000309212707 384533440 /nfs/dbraw/zinc/53/34/40/384533440.db2.gz TUUYAGWZVAESMJ-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP CC#CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000156793573 384960802 /nfs/dbraw/zinc/96/08/02/384960802.db2.gz GTGKCNJQRBGUCB-ZBFHGGJFSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000156793573 384960809 /nfs/dbraw/zinc/96/08/09/384960809.db2.gz GTGKCNJQRBGUCB-ZBFHGGJFSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156793573 384960816 /nfs/dbraw/zinc/96/08/16/384960816.db2.gz GTGKCNJQRBGUCB-ZBFHGGJFSA-N 2 1 246.398 2.349 20 30 BEEDMP C=CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718764 385736105 /nfs/dbraw/zinc/73/61/05/385736105.db2.gz SLMOIIBFSAPCCS-QWHCGFSZSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCOc1cccc(C[NH2+]C[C@H]([NH3+])C2CC2)c1 ZINC000414888546 386098062 /nfs/dbraw/zinc/09/80/62/386098062.db2.gz FGQVBJJTRZTTMA-HNNXBMFYSA-N 2 1 246.354 2.078 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000185710934 386631141 /nfs/dbraw/zinc/63/11/41/386631141.db2.gz QIKNTSCQQHRWOM-OCCSQVGLSA-N 2 1 247.386 2.285 20 30 BEEDMP C=CCOc1cccc(C[N@@H+](C)CCC[NH2+]C)c1 ZINC000415137489 386632297 /nfs/dbraw/zinc/63/22/97/386632297.db2.gz UDSCFDBTFJGZRM-UHFFFAOYSA-N 2 1 248.370 2.293 20 30 BEEDMP C=CCOc1cccc(C[N@H+](C)CCC[NH2+]C)c1 ZINC000415137489 386632304 /nfs/dbraw/zinc/63/23/04/386632304.db2.gz UDSCFDBTFJGZRM-UHFFFAOYSA-N 2 1 248.370 2.293 20 30 BEEDMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423380147 387262833 /nfs/dbraw/zinc/26/28/33/387262833.db2.gz GZHCSFXFKPCCHP-MGPQQGTHSA-N 2 1 249.402 2.437 20 30 BEEDMP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501999 387357177 /nfs/dbraw/zinc/35/71/77/387357177.db2.gz VQCRLGDNVSNLJI-CHWSQXEVSA-N 2 1 210.365 2.463 20 30 BEEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423155885 387933732 /nfs/dbraw/zinc/93/37/32/387933732.db2.gz RKIQZZYDRKQBFR-TUVASFSCSA-N 2 1 244.338 2.064 20 30 BEEDMP C=CCCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423188631 387974229 /nfs/dbraw/zinc/97/42/29/387974229.db2.gz LVOUIUSPYFWCRE-OLZOCXBDSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423192938 387978340 /nfs/dbraw/zinc/97/83/40/387978340.db2.gz QIODBAYCVPYMDL-OLZOCXBDSA-N 2 1 208.349 2.073 20 30 BEEDMP C=CCC[C@H]([NH2+]CCC[NH2+]C)c1ccco1 ZINC000423200941 387987382 /nfs/dbraw/zinc/98/73/82/387987382.db2.gz NNFUKXNJXOVICP-LBPRGKRZSA-N 2 1 222.332 2.486 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289845 388036343 /nfs/dbraw/zinc/03/63/43/388036343.db2.gz JFVIIJCVCJFFHA-QTVXIADOSA-N 2 1 249.402 2.387 20 30 BEEDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423293535 388075670 /nfs/dbraw/zinc/07/56/70/388075670.db2.gz ADBWMUAVJCQLAG-JHJVBQTASA-N 2 1 223.364 2.176 20 30 BEEDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423293538 388076465 /nfs/dbraw/zinc/07/64/65/388076465.db2.gz ADBWMUAVJCQLAG-YNEHKIRRSA-N 2 1 223.364 2.176 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000453344653 388050734 /nfs/dbraw/zinc/05/07/34/388050734.db2.gz DXRXJTLNMGWCKF-MJBXVCDLSA-N 2 1 222.376 2.415 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449089073 388140488 /nfs/dbraw/zinc/14/04/88/388140488.db2.gz IVTHOVCJDYQEOG-WLYUNCDWSA-N 2 1 249.402 2.390 20 30 BEEDMP CC(C)(C#N)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308635420 388445818 /nfs/dbraw/zinc/44/58/18/388445818.db2.gz NOBDYBUEOVWHBN-UHFFFAOYSA-N 2 1 237.391 2.390 20 30 BEEDMP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440118 388693003 /nfs/dbraw/zinc/69/30/03/388693003.db2.gz AOPNTEDAHAKXHK-SUNKGSAMSA-N 2 1 231.343 2.335 20 30 BEEDMP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440119 388693146 /nfs/dbraw/zinc/69/31/46/388693146.db2.gz AOPNTEDAHAKXHK-WDMOLILDSA-N 2 1 231.343 2.335 20 30 BEEDMP CCC[N@@H+](CC)CCN[C@H]1CCC[C@@H](C#N)C1 ZINC000248996911 388702933 /nfs/dbraw/zinc/70/29/33/388702933.db2.gz PEEOTMZFTIAIFQ-KGLIPLIRSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248996911 388702935 /nfs/dbraw/zinc/70/29/35/388702935.db2.gz PEEOTMZFTIAIFQ-KGLIPLIRSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248996911 388702937 /nfs/dbraw/zinc/70/29/37/388702937.db2.gz PEEOTMZFTIAIFQ-KGLIPLIRSA-N 2 1 237.391 2.390 20 30 BEEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000069675420 388724546 /nfs/dbraw/zinc/72/45/46/388724546.db2.gz GBNILUFAERWQBV-UHFFFAOYSA-N 2 1 245.370 2.378 20 30 BEEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000069675420 388724549 /nfs/dbraw/zinc/72/45/49/388724549.db2.gz GBNILUFAERWQBV-UHFFFAOYSA-N 2 1 245.370 2.378 20 30 BEEDMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000335967937 134029011 /nfs/dbraw/zinc/02/90/11/134029011.db2.gz OPYUJLGSPUJDES-ZIAGYGMSSA-N 2 1 247.386 2.239 20 30 BEEDMP C[N@H+]1CCCC12CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000335967937 134029012 /nfs/dbraw/zinc/02/90/12/134029012.db2.gz OPYUJLGSPUJDES-ZIAGYGMSSA-N 2 1 247.386 2.239 20 30 BEEDMP C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1C ZINC000336170435 134114724 /nfs/dbraw/zinc/11/47/24/134114724.db2.gz BREJOAOMZYKZRK-URGYJCLVSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1C ZINC000336170436 134114868 /nfs/dbraw/zinc/11/48/68/134114868.db2.gz BREJOAOMZYKZRK-VXGQWTEUSA-N 2 1 249.402 2.389 20 30 BEEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000357532962 134183714 /nfs/dbraw/zinc/18/37/14/134183714.db2.gz RKATTYKNWJWBIE-GFCCVEGCSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000357532962 134183715 /nfs/dbraw/zinc/18/37/15/134183715.db2.gz RKATTYKNWJWBIE-GFCCVEGCSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000357532962 134183716 /nfs/dbraw/zinc/18/37/16/134183716.db2.gz RKATTYKNWJWBIE-GFCCVEGCSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CC1 ZINC000357532962 134183717 /nfs/dbraw/zinc/18/37/17/134183717.db2.gz RKATTYKNWJWBIE-GFCCVEGCSA-N 2 1 208.349 2.121 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000361218058 134203774 /nfs/dbraw/zinc/20/37/74/134203774.db2.gz VSIPQJWJIKGKKS-QWHCGFSZSA-N 2 1 240.391 2.040 20 30 BEEDMP CC[N@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000361458644 134205554 /nfs/dbraw/zinc/20/55/54/134205554.db2.gz HYJBOCIHIBXIDW-KBPBESRZSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000361458644 134205555 /nfs/dbraw/zinc/20/55/55/134205555.db2.gz HYJBOCIHIBXIDW-KBPBESRZSA-N 2 1 237.391 2.389 20 30 BEEDMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C#N)CC1 ZINC000120081695 134227513 /nfs/dbraw/zinc/22/75/13/134227513.db2.gz RBVZMNASURQYAP-UHFFFAOYSA-N 2 1 246.358 2.207 20 30 BEEDMP N#CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121804506 134235849 /nfs/dbraw/zinc/23/58/49/134235849.db2.gz DSXCJQSJZYWLCT-UHFFFAOYSA-N 2 1 249.402 2.488 20 30 BEEDMP C=C(C)C[N@H+](C)CCCCn1cc[nH+]c1C ZINC000181315054 134335810 /nfs/dbraw/zinc/33/58/10/134335810.db2.gz RDSKKDXWPOQCIR-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=C(C)C[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000181315054 134335811 /nfs/dbraw/zinc/33/58/11/134335811.db2.gz RDSKKDXWPOQCIR-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248760160 135021797 /nfs/dbraw/zinc/02/17/97/135021797.db2.gz GMCGZXAMTSWNKG-IHRRRGAJSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248760160 135021799 /nfs/dbraw/zinc/02/17/99/135021799.db2.gz GMCGZXAMTSWNKG-IHRRRGAJSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000336772653 166243596 /nfs/dbraw/zinc/24/35/96/166243596.db2.gz XWQRRPRXNVPXFX-CHWSQXEVSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000309555781 166262091 /nfs/dbraw/zinc/26/20/91/166262091.db2.gz MLTALDVLSANJTO-UHFFFAOYSA-N 2 1 210.365 2.404 20 30 BEEDMP C=CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665237821 410727499 /nfs/dbraw/zinc/72/74/99/410727499.db2.gz KTGRJXHHCVMUAN-GXTWGEPZSA-N 2 1 218.344 2.111 20 30 BEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000651669394 411133841 /nfs/dbraw/zinc/13/38/41/411133841.db2.gz SCMBKONVKZOIFK-TZMCWYRMSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660977 411614635 /nfs/dbraw/zinc/61/46/35/411614635.db2.gz YAPZGNSKLVITPB-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660977 411614637 /nfs/dbraw/zinc/61/46/37/411614637.db2.gz YAPZGNSKLVITPB-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660977 411614638 /nfs/dbraw/zinc/61/46/38/411614638.db2.gz YAPZGNSKLVITPB-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001172508962 974863544 /nfs/dbraw/zinc/86/35/44/974863544.db2.gz ICFZVWWMURMNLZ-MGPQQGTHSA-N 2 1 235.375 2.095 20 30 BEEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662299184 412087163 /nfs/dbraw/zinc/08/71/63/412087163.db2.gz LQIVGICBHKCHHW-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247340664 323012769 /nfs/dbraw/zinc/01/27/69/323012769.db2.gz ZVJZFLBISCGBRN-QWHCGFSZSA-N 2 1 210.365 2.225 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000076004188 325325515 /nfs/dbraw/zinc/32/55/15/325325515.db2.gz DPHVSKCGWCOTHX-AWEZNQCLSA-N 2 1 237.391 2.344 20 30 BEEDMP C=CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658113680 487544718 /nfs/dbraw/zinc/54/47/18/487544718.db2.gz IHRBHQLSMSXSML-XQQFMLRXSA-N 2 1 208.349 2.025 20 30 BEEDMP C=CCCCC[NH2+]C1CC[NH+](CCOC)CC1 ZINC000349353832 534691513 /nfs/dbraw/zinc/69/15/13/534691513.db2.gz KCYQRXUBMCYNNS-UHFFFAOYSA-N 2 1 240.391 2.043 20 30 BEEDMP C=CCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000120575447 534706058 /nfs/dbraw/zinc/70/60/58/534706058.db2.gz BDOWZVBTRWWNQR-UHFFFAOYSA-N 2 1 210.365 2.370 20 30 BEEDMP C=CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000338548456 534770280 /nfs/dbraw/zinc/77/02/80/534770280.db2.gz YTTFIWLIDQXMHX-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000338548456 534770285 /nfs/dbraw/zinc/77/02/85/534770285.db2.gz YTTFIWLIDQXMHX-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000338548456 534770291 /nfs/dbraw/zinc/77/02/91/534770291.db2.gz YTTFIWLIDQXMHX-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C#C[C@H](C)[NH+](C)CCCCC[N@H+](C)[C@@H](C)C#C ZINC000491810532 527333015 /nfs/dbraw/zinc/33/30/15/527333015.db2.gz ITSFTBQYKIGADZ-GJZGRUSLSA-N 2 1 234.387 2.064 20 30 BEEDMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339156833 536347031 /nfs/dbraw/zinc/34/70/31/536347031.db2.gz VYRMYNZLTQEHAA-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339156833 536347034 /nfs/dbraw/zinc/34/70/34/536347034.db2.gz VYRMYNZLTQEHAA-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339441109 536395449 /nfs/dbraw/zinc/39/54/49/536395449.db2.gz OAVODYIDHHRCDM-KKUMJFAQSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339441109 536395451 /nfs/dbraw/zinc/39/54/51/536395451.db2.gz OAVODYIDHHRCDM-KKUMJFAQSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339441109 536395455 /nfs/dbraw/zinc/39/54/55/536395455.db2.gz OAVODYIDHHRCDM-KKUMJFAQSA-N 2 1 247.386 2.096 20 30 BEEDMP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339441104 536395508 /nfs/dbraw/zinc/39/55/08/536395508.db2.gz OAVODYIDHHRCDM-ILXRZTDVSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339441104 536395510 /nfs/dbraw/zinc/39/55/10/536395510.db2.gz OAVODYIDHHRCDM-ILXRZTDVSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339441104 536395511 /nfs/dbraw/zinc/39/55/11/536395511.db2.gz OAVODYIDHHRCDM-ILXRZTDVSA-N 2 1 247.386 2.096 20 30 BEEDMP C=C[C@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894092136 583299934 /nfs/dbraw/zinc/29/99/34/583299934.db2.gz XRLKPMUXHCKMJK-AWEZNQCLSA-N 2 1 222.376 2.369 20 30 BEEDMP CCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000115548855 588909095 /nfs/dbraw/zinc/90/90/95/588909095.db2.gz NWQVVCMURYBWES-BETUJISGSA-N 2 1 210.365 2.108 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000894863753 583536472 /nfs/dbraw/zinc/53/64/72/583536472.db2.gz QODLMHSSWLPZFB-CQSZACIVSA-N 2 1 220.360 2.030 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000894863753 583536475 /nfs/dbraw/zinc/53/64/75/583536475.db2.gz QODLMHSSWLPZFB-CQSZACIVSA-N 2 1 220.360 2.030 20 30 BEEDMP N#Cc1cccc2c1C[N@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903460586 584766402 /nfs/dbraw/zinc/76/64/02/584766402.db2.gz DZABRECKHPFEIU-SMDDNHRTSA-N 2 1 241.338 2.001 20 30 BEEDMP N#Cc1cccc2c1C[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903460586 584766403 /nfs/dbraw/zinc/76/64/03/584766403.db2.gz DZABRECKHPFEIU-SMDDNHRTSA-N 2 1 241.338 2.001 20 30 BEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CC1([NH3+])CCC1 ZINC000903447445 584770662 /nfs/dbraw/zinc/77/06/62/584770662.db2.gz SJXLRYGHIHHVIO-UHFFFAOYSA-N 2 1 243.354 2.146 20 30 BEEDMP Cc1cc(C#N)cc(C)c1C[N@H+](C)C1CC([NH3+])C1 ZINC000903453560 584772639 /nfs/dbraw/zinc/77/26/39/584772639.db2.gz BUIKYZARWUSYMT-UHFFFAOYSA-N 2 1 243.354 2.097 20 30 BEEDMP N#CC1(CCCC[N@@H+]2CC[C@@H](C[NH3+])C2)CCC1 ZINC000903716222 584794105 /nfs/dbraw/zinc/79/41/05/584794105.db2.gz JUAAJUGSZRFFMK-ZDUSSCGKSA-N 2 1 235.375 2.131 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903769539 584798065 /nfs/dbraw/zinc/79/80/65/584798065.db2.gz IUPQXKRWBFTPPX-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903779458 584799666 /nfs/dbraw/zinc/79/96/66/584799666.db2.gz ZXORAFZQQXTEFK-STQMWFEESA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCCCC1(C#N)CCC1 ZINC000903779458 584799667 /nfs/dbraw/zinc/79/96/67/584799667.db2.gz ZXORAFZQQXTEFK-STQMWFEESA-N 2 1 235.375 2.272 20 30 BEEDMP C=CC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812161 584803348 /nfs/dbraw/zinc/80/33/48/584803348.db2.gz RHIQWZHAWYNJRA-LBPRGKRZSA-N 2 1 208.349 2.156 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@H]3CC[C@@]32CN)CC1 ZINC000903856584 584808919 /nfs/dbraw/zinc/80/89/19/584808919.db2.gz AEJSQFAWQPZAHM-NEXFUWMNSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856584 584808921 /nfs/dbraw/zinc/80/89/21/584808921.db2.gz AEJSQFAWQPZAHM-NEXFUWMNSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856584 584808922 /nfs/dbraw/zinc/80/89/22/584808922.db2.gz AEJSQFAWQPZAHM-NEXFUWMNSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC000903871341 584815242 /nfs/dbraw/zinc/81/52/42/584815242.db2.gz SLBIDHFMROBJQE-YMAMQOFZSA-N 2 1 247.386 2.144 20 30 BEEDMP C#CC[NH+](CC)CCC(C)CC[N@H+](CC)CC#C ZINC000839502875 585105894 /nfs/dbraw/zinc/10/58/94/585105894.db2.gz IALPLMADGGGKHW-UHFFFAOYSA-N 2 1 248.414 2.313 20 30 BEEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464879 585285002 /nfs/dbraw/zinc/28/50/02/585285002.db2.gz NXEBDDKWKJDGBK-UONOGXRCSA-N 2 1 234.387 2.252 20 30 BEEDMP C#CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464877 585285059 /nfs/dbraw/zinc/28/50/59/585285059.db2.gz NXEBDDKWKJDGBK-KBPBESRZSA-N 2 1 234.387 2.252 20 30 BEEDMP C#CCC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000760816613 585397915 /nfs/dbraw/zinc/39/79/15/585397915.db2.gz HKNMKBJGZGHDFK-UHFFFAOYSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000766902357 585510255 /nfs/dbraw/zinc/51/02/55/585510255.db2.gz GSRCCZTZWXYBGE-OAHLLOKOSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000766902357 585510256 /nfs/dbraw/zinc/51/02/56/585510256.db2.gz GSRCCZTZWXYBGE-OAHLLOKOSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000766902357 585510257 /nfs/dbraw/zinc/51/02/57/585510257.db2.gz GSRCCZTZWXYBGE-OAHLLOKOSA-N 2 1 234.387 2.064 20 30 BEEDMP CC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(N)cc1C ZINC000779811718 585766438 /nfs/dbraw/zinc/76/64/38/585766438.db2.gz ROBTXMKJJCDFEL-UHFFFAOYSA-N 2 1 240.310 2.230 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000846170152 588259050 /nfs/dbraw/zinc/25/90/50/588259050.db2.gz LXTMKHXXXOFSDF-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000846170152 588259051 /nfs/dbraw/zinc/25/90/51/588259051.db2.gz LXTMKHXXXOFSDF-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CCCC[NH2+]C(C)(C)C[N@@H+](C)CCC ZINC000852716896 588697737 /nfs/dbraw/zinc/69/77/37/588697737.db2.gz VYMUPEVDMKKWQW-UHFFFAOYSA-N 2 1 210.365 2.110 20 30 BEEDMP C#CCCC[NH2+]C(C)(C)C[N@H+](C)CCC ZINC000852716896 588697738 /nfs/dbraw/zinc/69/77/38/588697738.db2.gz VYMUPEVDMKKWQW-UHFFFAOYSA-N 2 1 210.365 2.110 20 30 BEEDMP C=C(Cl)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708305 589514525 /nfs/dbraw/zinc/51/45/25/589514525.db2.gz MMHJUVUBYAMWQB-LBPRGKRZSA-N 2 1 230.783 2.436 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708305 589514527 /nfs/dbraw/zinc/51/45/27/589514527.db2.gz MMHJUVUBYAMWQB-LBPRGKRZSA-N 2 1 230.783 2.436 20 30 BEEDMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[NH2+]C1 ZINC000873237582 590004632 /nfs/dbraw/zinc/00/46/32/590004632.db2.gz RCWDCVMFZAXEGB-MGPQQGTHSA-N 2 1 249.402 2.437 20 30 BEEDMP C[N@H+]1CC[C@@H]2C[NH+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000877744552 590412100 /nfs/dbraw/zinc/41/21/00/590412100.db2.gz VJZRYMYMKPRLDD-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000877744552 590412102 /nfs/dbraw/zinc/41/21/02/590412102.db2.gz VJZRYMYMKPRLDD-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000877744552 590412105 /nfs/dbraw/zinc/41/21/05/590412105.db2.gz VJZRYMYMKPRLDD-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198174 590523201 /nfs/dbraw/zinc/52/32/01/590523201.db2.gz UKJVBMIHUOVUPY-IHRRRGAJSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878198174 590523204 /nfs/dbraw/zinc/52/32/04/590523204.db2.gz UKJVBMIHUOVUPY-IHRRRGAJSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878198174 590523207 /nfs/dbraw/zinc/52/32/07/590523207.db2.gz UKJVBMIHUOVUPY-IHRRRGAJSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878512875 590583671 /nfs/dbraw/zinc/58/36/71/590583671.db2.gz SPLFDLIIMNQMKN-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573439 590810358 /nfs/dbraw/zinc/81/03/58/590810358.db2.gz OFJIKASVFFKXRQ-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573439 590810347 /nfs/dbraw/zinc/81/03/47/590810347.db2.gz OFJIKASVFFKXRQ-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573439 590810351 /nfs/dbraw/zinc/81/03/51/590810351.db2.gz OFJIKASVFFKXRQ-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573439 590810354 /nfs/dbraw/zinc/81/03/54/590810354.db2.gz OFJIKASVFFKXRQ-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C=CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580718 590819916 /nfs/dbraw/zinc/81/99/16/590819916.db2.gz UQVCPWGFZQNYSO-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580718 590819919 /nfs/dbraw/zinc/81/99/19/590819919.db2.gz UQVCPWGFZQNYSO-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580718 590819922 /nfs/dbraw/zinc/81/99/22/590819922.db2.gz UQVCPWGFZQNYSO-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580718 590819924 /nfs/dbraw/zinc/81/99/24/590819924.db2.gz UQVCPWGFZQNYSO-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886870140 592374794 /nfs/dbraw/zinc/37/47/94/592374794.db2.gz QKLLDJAYCJNYOW-AWEZNQCLSA-N 2 1 222.376 2.418 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876109 592379922 /nfs/dbraw/zinc/37/99/22/592379922.db2.gz IZTXJGOFTRIEFW-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP CC#CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134414 592449738 /nfs/dbraw/zinc/44/97/38/592449738.db2.gz JLEPEQXHRRTETD-CQSZACIVSA-N 2 1 243.354 2.006 20 30 BEEDMP C#CCC1([NH2+]CC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000933303970 631217337 /nfs/dbraw/zinc/21/73/37/631217337.db2.gz VNNFHCSOMBDVTM-AWEZNQCLSA-N 2 1 234.387 2.396 20 30 BEEDMP C#CCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309200679 631970759 /nfs/dbraw/zinc/97/07/59/631970759.db2.gz BMCQADBVVDBDPE-UHFFFAOYSA-N 2 1 220.360 2.006 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C)(C)CC1 ZINC000328040923 633228015 /nfs/dbraw/zinc/22/80/15/633228015.db2.gz XMRPKIXHYDAXNB-UHFFFAOYSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C)(C)CC1 ZINC000328040923 633228018 /nfs/dbraw/zinc/22/80/18/633228018.db2.gz XMRPKIXHYDAXNB-UHFFFAOYSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000328104466 633237760 /nfs/dbraw/zinc/23/77/60/633237760.db2.gz MEUKTOBYNUFLFR-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000328104466 633237764 /nfs/dbraw/zinc/23/77/64/633237764.db2.gz MEUKTOBYNUFLFR-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(C)(C)C#N)C[C@@H]2C1 ZINC000311120128 634220814 /nfs/dbraw/zinc/22/08/14/634220814.db2.gz UGPSQKISGIMFMB-KGLIPLIRSA-N 2 1 249.402 2.200 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(C)(C)C#N)C[C@@H]2C1 ZINC000311120128 634220816 /nfs/dbraw/zinc/22/08/16/634220816.db2.gz UGPSQKISGIMFMB-KGLIPLIRSA-N 2 1 249.402 2.200 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(C)(C)C#N)C[C@@H]2C1 ZINC000311120128 634220819 /nfs/dbraw/zinc/22/08/19/634220819.db2.gz UGPSQKISGIMFMB-KGLIPLIRSA-N 2 1 249.402 2.200 20 30 BEEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670938 634253576 /nfs/dbraw/zinc/25/35/76/634253576.db2.gz AWSINOLQQRCJBB-VXGBXAGGSA-N 2 1 223.364 2.046 20 30 BEEDMP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814997 635380677 /nfs/dbraw/zinc/38/06/77/635380677.db2.gz RTDXZPATVDGBQJ-RYUDHWBXSA-N 2 1 246.358 2.116 20 30 BEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926960160 636972754 /nfs/dbraw/zinc/97/27/54/636972754.db2.gz FGLJTYCWSSXYMS-MJBXVCDLSA-N 2 1 242.407 2.143 20 30 BEEDMP CCCCCCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000149475307 638501837 /nfs/dbraw/zinc/50/18/37/638501837.db2.gz KTGAMBNLMBWENV-KGLIPLIRSA-N 2 1 242.407 2.395 20 30 BEEDMP CCCCCCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000149475307 638501842 /nfs/dbraw/zinc/50/18/42/638501842.db2.gz KTGAMBNLMBWENV-KGLIPLIRSA-N 2 1 242.407 2.395 20 30 BEEDMP C#CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276079 640126680 /nfs/dbraw/zinc/12/66/80/640126680.db2.gz GRWASQXRPIONHZ-FICVDOATSA-N 2 1 234.387 2.062 20 30 BEEDMP C#CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931276079 640126684 /nfs/dbraw/zinc/12/66/84/640126684.db2.gz GRWASQXRPIONHZ-FICVDOATSA-N 2 1 234.387 2.062 20 30 BEEDMP C=CCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931311185 640141032 /nfs/dbraw/zinc/14/10/32/640141032.db2.gz OKXZZSLEAYYKMY-ZIAGYGMSSA-N 2 1 222.376 2.226 20 30 BEEDMP C#CCCCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517375 640246529 /nfs/dbraw/zinc/24/65/29/640246529.db2.gz YHGGCLRHGMDMEL-UHFFFAOYSA-N 2 1 243.354 2.216 20 30 BEEDMP C#CCCCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931517375 640246536 /nfs/dbraw/zinc/24/65/36/640246536.db2.gz YHGGCLRHGMDMEL-UHFFFAOYSA-N 2 1 243.354 2.216 20 30 BEEDMP C=C(CC)C[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931721791 640341611 /nfs/dbraw/zinc/34/16/11/640341611.db2.gz VPZGSQLAEVWKED-OLZOCXBDSA-N 2 1 208.349 2.121 20 30 BEEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000932464364 643270089 /nfs/dbraw/zinc/27/00/89/643270089.db2.gz YCFMQSDFRGVROD-UHFFFAOYSA-N 2 1 233.359 2.315 20 30 BEEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000932464364 643270093 /nfs/dbraw/zinc/27/00/93/643270093.db2.gz YCFMQSDFRGVROD-UHFFFAOYSA-N 2 1 233.359 2.315 20 30 BEEDMP C#CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090397627 643409653 /nfs/dbraw/zinc/40/96/53/643409653.db2.gz KDKIMYSNSSLFPC-UONOGXRCSA-N 2 1 220.360 2.006 20 30 BEEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921714892 643761812 /nfs/dbraw/zinc/76/18/12/643761812.db2.gz DIRAQUKHLHTSCE-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921714892 643761817 /nfs/dbraw/zinc/76/18/17/643761817.db2.gz DIRAQUKHLHTSCE-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1C[NH3+] ZINC000923493323 644468582 /nfs/dbraw/zinc/46/85/82/644468582.db2.gz SASMZIXIOGXNGC-XSCHDIRWSA-N 2 1 249.402 2.233 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923540369 644493192 /nfs/dbraw/zinc/49/31/92/644493192.db2.gz USZWXCPFJIYGJD-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923540369 644493196 /nfs/dbraw/zinc/49/31/96/644493196.db2.gz USZWXCPFJIYGJD-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP Cc1cccc(NC(=[NH2+])NCC[N@H+](C)C(C)C)c1 ZINC000303972032 644861087 /nfs/dbraw/zinc/86/10/87/644861087.db2.gz FKNMWZWGXPATFV-UHFFFAOYSA-N 2 1 248.374 2.062 20 30 BEEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925652858 646390583 /nfs/dbraw/zinc/39/05/83/646390583.db2.gz BGIURTOPCFKAEN-RYSNWHEDSA-N 2 1 235.375 2.046 20 30 BEEDMP C[NH+](C)C1(C)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000709894538 712231305 /nfs/dbraw/zinc/23/13/05/712231305.db2.gz YZCCEAQVCYXUBV-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(C)(C)SC ZINC000385323146 711011600 /nfs/dbraw/zinc/01/16/00/711011600.db2.gz RVNFOGGSRCNUIW-UHFFFAOYSA-N 2 1 242.432 2.063 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]CCC(C)(C)SC ZINC000385323146 711011601 /nfs/dbraw/zinc/01/16/01/711011601.db2.gz RVNFOGGSRCNUIW-UHFFFAOYSA-N 2 1 242.432 2.063 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(F)ccc1C ZINC000385491702 711012710 /nfs/dbraw/zinc/01/27/10/711012710.db2.gz IITLORKNGPDGTO-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(F)ccc1C ZINC000385491702 711012712 /nfs/dbraw/zinc/01/27/12/711012712.db2.gz IITLORKNGPDGTO-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000715055962 711533379 /nfs/dbraw/zinc/53/33/79/711533379.db2.gz AABHNNVYJDZZFN-WUHRBBMRSA-N 2 1 208.349 2.010 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCC(C)C ZINC000328092272 711689271 /nfs/dbraw/zinc/68/92/71/711689271.db2.gz IZOMIBSKTITBPY-CQSZACIVSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCC(C)C ZINC000328092272 711689273 /nfs/dbraw/zinc/68/92/73/711689273.db2.gz IZOMIBSKTITBPY-CQSZACIVSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)CCCC ZINC000328088454 711689404 /nfs/dbraw/zinc/68/94/04/711689404.db2.gz IFIMZLOYQNPCNS-CQSZACIVSA-N 2 1 224.392 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)CCCC ZINC000328088454 711689406 /nfs/dbraw/zinc/68/94/06/711689406.db2.gz IFIMZLOYQNPCNS-CQSZACIVSA-N 2 1 224.392 2.500 20 30 BEEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000710016794 712240561 /nfs/dbraw/zinc/24/05/61/712240561.db2.gz LXGAEVLXFNRJEF-CHWSQXEVSA-N 2 1 237.391 2.246 20 30 BEEDMP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCCCC(C)(C)C#N)C[C@H]21 ZINC000384994021 712707737 /nfs/dbraw/zinc/70/77/37/712707737.db2.gz VLFLQWHLPCKEJO-WDNDVIMCSA-N 2 1 249.402 2.198 20 30 BEEDMP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCCCC(C)(C)C#N)C[C@H]21 ZINC000384994021 712707739 /nfs/dbraw/zinc/70/77/39/712707739.db2.gz VLFLQWHLPCKEJO-WDNDVIMCSA-N 2 1 249.402 2.198 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000252811135 1166410082 /nfs/dbraw/zinc/41/00/82/1166410082.db2.gz OCDMZUBZSNBZMI-FRRDWIJNSA-N 2 1 210.365 2.271 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000252811135 1166410087 /nfs/dbraw/zinc/41/00/87/1166410087.db2.gz OCDMZUBZSNBZMI-FRRDWIJNSA-N 2 1 210.365 2.271 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]CC#CC(C)(C)C)CC1 ZINC001254510199 969684427 /nfs/dbraw/zinc/68/44/27/969684427.db2.gz SRYWKFLNHBEPSL-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254643397 969759261 /nfs/dbraw/zinc/75/92/61/969759261.db2.gz NSEYDRAVLBFWPE-XUXIUFHCSA-N 2 1 235.375 2.141 20 30 BEEDMP C=CCC[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000379726806 1166773522 /nfs/dbraw/zinc/77/35/22/1166773522.db2.gz WNCPIZAIZHMENL-UHFFFAOYSA-N 2 1 230.355 2.340 20 30 BEEDMP C#C[C@@H]1CCC[N@H+]([C@H](C)CC[NH+](CC)CC)C1 ZINC001255963796 970601517 /nfs/dbraw/zinc/60/15/17/970601517.db2.gz KOJSBACZYGTUKR-HUUCEWRRSA-N 2 1 236.403 2.452 20 30 BEEDMP C#CC[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000886362826 1168980915 /nfs/dbraw/zinc/98/09/15/1168980915.db2.gz PEQCTGXHURDQFW-HNNXBMFYSA-N 2 1 245.370 2.317 20 30 BEEDMP C#CC[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000886362826 1168980920 /nfs/dbraw/zinc/98/09/20/1168980920.db2.gz PEQCTGXHURDQFW-HNNXBMFYSA-N 2 1 245.370 2.317 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172480337 974780157 /nfs/dbraw/zinc/78/01/57/974780157.db2.gz PCQQYUBVQWVYIN-LBPRGKRZSA-N 2 1 223.364 2.143 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548886 972688985 /nfs/dbraw/zinc/68/89/85/972688985.db2.gz KQLQFNWMADYNBH-QWHCGFSZSA-N 2 1 228.355 2.494 20 30 BEEDMP N#CCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256903895 971019330 /nfs/dbraw/zinc/01/93/30/971019330.db2.gz FUFYSOJTFGCDRW-ZDUSSCGKSA-N 2 1 235.375 2.287 20 30 BEEDMP N#CCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256903895 971019343 /nfs/dbraw/zinc/01/93/43/971019343.db2.gz FUFYSOJTFGCDRW-ZDUSSCGKSA-N 2 1 235.375 2.287 20 30 BEEDMP CCC[N@@H+](CCC[NH3+])C1CCC(C#N)CC1 ZINC001256953088 971026391 /nfs/dbraw/zinc/02/63/91/971026391.db2.gz BJLIAKUHHOBYTD-UHFFFAOYSA-N 2 1 223.364 2.130 20 30 BEEDMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(C#N)CC1 ZINC001256955866 971027034 /nfs/dbraw/zinc/02/70/34/971027034.db2.gz CPMMADMEDXUBKZ-UHFFFAOYSA-N 2 1 235.375 2.270 20 30 BEEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257222236 971132487 /nfs/dbraw/zinc/13/24/87/971132487.db2.gz YJFQRGDWNQGFGI-AWEZNQCLSA-N 2 1 234.387 2.204 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404313297 971152113 /nfs/dbraw/zinc/15/21/13/971152113.db2.gz XYGIKKZBVWSWFM-ONGXEEELSA-N 2 1 216.756 2.188 20 30 BEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404313297 971152124 /nfs/dbraw/zinc/15/21/24/971152124.db2.gz XYGIKKZBVWSWFM-ONGXEEELSA-N 2 1 216.756 2.188 20 30 BEEDMP [NH2+]=C(Nc1ccccc1CS)SCC[NH3+] ZINC001167911998 961820550 /nfs/dbraw/zinc/82/05/50/961820550.db2.gz ITIFCMKTONRGQI-UHFFFAOYSA-N 2 1 241.385 2.155 20 30 BEEDMP Cc1ccc(CC#N)c(N[C@@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154988141 962931416 /nfs/dbraw/zinc/93/14/16/962931416.db2.gz PELDWLKRHPCXBU-CHWSQXEVSA-N 2 1 244.342 2.138 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000822123789 963939011 /nfs/dbraw/zinc/93/90/11/963939011.db2.gz DXAYEZGDHWWESB-CHWSQXEVSA-N 2 1 210.365 2.415 20 30 BEEDMP C#CCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895232 1169848478 /nfs/dbraw/zinc/84/84/78/1169848478.db2.gz SJFCXGXQQIDMPA-AWEZNQCLSA-N 2 1 234.387 2.396 20 30 BEEDMP C#CCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895232 1169848492 /nfs/dbraw/zinc/84/84/92/1169848492.db2.gz SJFCXGXQQIDMPA-AWEZNQCLSA-N 2 1 234.387 2.396 20 30 BEEDMP C#Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218129 966313972 /nfs/dbraw/zinc/31/39/72/966313972.db2.gz REZOMOANPHPTAT-HOTGVXAUSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218129 966313982 /nfs/dbraw/zinc/31/39/82/966313982.db2.gz REZOMOANPHPTAT-HOTGVXAUSA-N 2 1 242.366 2.370 20 30 BEEDMP N#CCc1ccccc1C[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205117135 967365058 /nfs/dbraw/zinc/36/50/58/967365058.db2.gz LPCKYCIWADTHMR-HNNXBMFYSA-N 2 1 243.354 2.066 20 30 BEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000829180003 968821155 /nfs/dbraw/zinc/82/11/55/968821155.db2.gz QPBDPGNRTLZUDD-QWHCGFSZSA-N 2 1 249.402 2.389 20 30 BEEDMP C#C[C@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208113767 969006309 /nfs/dbraw/zinc/00/63/09/969006309.db2.gz OAGZNHQDLSGURV-AWEZNQCLSA-N 2 1 234.387 2.064 20 30 BEEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001208114152 969009672 /nfs/dbraw/zinc/00/96/72/969009672.db2.gz SMIDPWBWLXEPCV-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](CC2(C)CC[NH+](C)CC2)C1 ZINC001208113768 969010075 /nfs/dbraw/zinc/01/00/75/969010075.db2.gz OAGZNHQDLSGURV-CQSZACIVSA-N 2 1 234.387 2.064 20 30 BEEDMP CCC[N@@H+](CCC#N)CC1CC[NH+](CC)CC1 ZINC001208599973 969151172 /nfs/dbraw/zinc/15/11/72/969151172.db2.gz NKHMIYFWCKPAKR-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208597750 969152242 /nfs/dbraw/zinc/15/22/42/969152242.db2.gz NBEUWWOFXXNYGO-CQSZACIVSA-N 2 1 234.387 2.064 20 30 BEEDMP C=CCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001209164138 969363737 /nfs/dbraw/zinc/36/37/37/969363737.db2.gz TXJRWXKZSVLHNW-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209164138 969363742 /nfs/dbraw/zinc/36/37/42/969363742.db2.gz TXJRWXKZSVLHNW-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209164138 969363750 /nfs/dbraw/zinc/36/37/50/969363750.db2.gz TXJRWXKZSVLHNW-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079220 969399824 /nfs/dbraw/zinc/39/98/24/969399824.db2.gz KBWPFQNTCPPNPQ-BTTYYORXSA-N 2 1 234.387 2.393 20 30 BEEDMP C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079220 969399828 /nfs/dbraw/zinc/39/98/28/969399828.db2.gz KBWPFQNTCPPNPQ-BTTYYORXSA-N 2 1 234.387 2.393 20 30 BEEDMP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC001254515283 969692710 /nfs/dbraw/zinc/69/27/10/969692710.db2.gz VGVLDBNPUPAJQK-LBPRGKRZSA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC001254515283 969692719 /nfs/dbraw/zinc/69/27/19/969692719.db2.gz VGVLDBNPUPAJQK-LBPRGKRZSA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC001254645209 969761646 /nfs/dbraw/zinc/76/16/46/969761646.db2.gz AZGWIORCMRRJCW-AIEDFZFUSA-N 2 1 247.386 2.284 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC001254645209 969761653 /nfs/dbraw/zinc/76/16/53/969761653.db2.gz AZGWIORCMRRJCW-AIEDFZFUSA-N 2 1 247.386 2.284 20 30 BEEDMP N#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256067187 970632215 /nfs/dbraw/zinc/63/22/15/970632215.db2.gz FFADTRBXAJWTHY-JOCQHMNTSA-N 2 1 247.386 2.285 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246585489 972964896 /nfs/dbraw/zinc/96/48/96/972964896.db2.gz XIXYHQJOQZDKCU-STQMWFEESA-N 2 1 223.364 2.130 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584871 972974512 /nfs/dbraw/zinc/97/45/12/972974512.db2.gz VYRYOFIIJWXFSZ-CHWSQXEVSA-N 2 1 210.365 2.402 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172479778 974779362 /nfs/dbraw/zinc/77/93/62/974779362.db2.gz ONCSHZBCFOXOMN-STQMWFEESA-N 2 1 223.364 2.143 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001172479290 974779862 /nfs/dbraw/zinc/77/98/62/974779862.db2.gz KSFSRAOSGQOITF-KBPBESRZSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172489270 974834500 /nfs/dbraw/zinc/83/45/00/974834500.db2.gz PMIGCIFYUJGIPX-LBPRGKRZSA-N 2 1 235.375 2.285 20 30 BEEDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)CCCC#N)C[C@@H]2C1 ZINC001172508097 974862012 /nfs/dbraw/zinc/86/20/12/974862012.db2.gz BDSSJTONJVFYNE-SOUVJXGZSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)CCCC#N)C[C@@H]2C1 ZINC001172508097 974862014 /nfs/dbraw/zinc/86/20/14/974862014.db2.gz BDSSJTONJVFYNE-SOUVJXGZSA-N 2 1 249.402 2.342 20 30 BEEDMP C#CCN1CCC(Nc2cc(F)cc(C)n2)CC1 ZINC001337992483 978579329 /nfs/dbraw/zinc/57/93/29/978579329.db2.gz NVYYBYHWGSDTOZ-UHFFFAOYSA-N 2 1 247.317 2.039 20 30 BEEDMP CCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235256792 979009408 /nfs/dbraw/zinc/00/94/08/979009408.db2.gz GSSOVRBSBBROES-OLZOCXBDSA-N 2 1 210.365 2.251 20 30 BEEDMP C=CC[N@@H+](C)CCC[NH2+]C1CCCCC1 ZINC001235859305 979172821 /nfs/dbraw/zinc/17/28/21/979172821.db2.gz NBNVLSPXTOXMQT-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001182108250 979445559 /nfs/dbraw/zinc/44/55/59/979445559.db2.gz BOMIPOFXLDBHKG-KKUMJFAQSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001182108250 979445564 /nfs/dbraw/zinc/44/55/64/979445564.db2.gz BOMIPOFXLDBHKG-KKUMJFAQSA-N 2 1 234.387 2.110 20 30 BEEDMP C=CCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314524 979525113 /nfs/dbraw/zinc/52/51/13/979525113.db2.gz QBBVAFGPWUPTRF-OKILXGFUSA-N 2 1 222.376 2.274 20 30 BEEDMP CCCCCCC[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001205664456 981817938 /nfs/dbraw/zinc/81/79/38/981817938.db2.gz NEWSWRFROJDVQC-CQSZACIVSA-N 2 1 242.407 2.133 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](C#N)CC2)CC1 ZINC001254524863 986667735 /nfs/dbraw/zinc/66/77/35/986667735.db2.gz DESCNAQCMJOKGI-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[C@@H](CC#N)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001255153578 986826222 /nfs/dbraw/zinc/82/62/22/986826222.db2.gz ZCSXKNUMCPJOEQ-OLZOCXBDSA-N 2 1 223.364 2.000 20 30 BEEDMP CCCCCCCC[C@H](O)C[NH2+][C@@H](CC)C[NH3+] ZINC001246000604 987286370 /nfs/dbraw/zinc/28/63/70/987286370.db2.gz LPCGXAMDBLQODF-KBPBESRZSA-N 2 1 244.423 2.425 20 30 BEEDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]2C1 ZINC001474302778 987681536 /nfs/dbraw/zinc/68/15/36/987681536.db2.gz GEJXLFNMOJCPGV-BFHYXJOUSA-N 2 1 249.402 2.246 20 30 BEEDMP C#CC[N@@H+](CC1CC1)CC1CC[NH+](CC)CC1 ZINC001474354897 987696426 /nfs/dbraw/zinc/69/64/26/987696426.db2.gz CXVDXHIPXHVSPK-UHFFFAOYSA-N 2 1 234.387 2.064 20 30 BEEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246871113 988637936 /nfs/dbraw/zinc/63/79/36/988637936.db2.gz OAHKKYPXDKUJIL-CHWSQXEVSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[N@H+]([C@@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC001246921510 988727105 /nfs/dbraw/zinc/72/71/05/988727105.db2.gz QNCYKLDENUGGFI-VXGBXAGGSA-N 2 1 210.365 2.413 20 30 BEEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246983463 988816065 /nfs/dbraw/zinc/81/60/65/988816065.db2.gz PWORUMNBMTXLES-MELADBBJSA-N 2 1 242.407 2.393 20 30 BEEDMP C=C[C@H](COC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001325635826 989225240 /nfs/dbraw/zinc/22/52/40/989225240.db2.gz QEDSWYFFDYCYHJ-GFCCVEGCSA-N 2 1 240.391 2.040 20 30 BEEDMP CCC[NH+]1CCC([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001258775150 991740053 /nfs/dbraw/zinc/74/00/53/991740053.db2.gz BWOYWYDMFYZGAE-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001321355333 992523436 /nfs/dbraw/zinc/52/34/36/992523436.db2.gz OMLMGVVZLHRLKW-MCIONIFRSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CC[C@H]1CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001574900222 992940323 /nfs/dbraw/zinc/94/03/23/992940323.db2.gz TYOFHSILNDDRLJ-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001574916267 992944672 /nfs/dbraw/zinc/94/46/72/992944672.db2.gz WHASOMOGMASMAQ-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP CCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000390505716 993792272 /nfs/dbraw/zinc/79/22/72/993792272.db2.gz WIXCNZDQCMYQKQ-ZIAGYGMSSA-N 2 1 224.392 2.498 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001307518154 995393226 /nfs/dbraw/zinc/39/32/26/995393226.db2.gz NYRCZTGUDUQYCI-HOCLYGCPSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001307518154 995393236 /nfs/dbraw/zinc/39/32/36/995393236.db2.gz NYRCZTGUDUQYCI-HOCLYGCPSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001307518154 995393243 /nfs/dbraw/zinc/39/32/43/995393243.db2.gz NYRCZTGUDUQYCI-HOCLYGCPSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001307518154 995393250 /nfs/dbraw/zinc/39/32/50/995393250.db2.gz NYRCZTGUDUQYCI-HOCLYGCPSA-N 2 1 248.414 2.452 20 30 BEEDMP N#CC1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000602505558 349582551 /nfs/dbraw/zinc/58/25/51/349582551.db2.gz FFADTRBXAJWTHY-UHFFFAOYSA-N 2 1 247.386 2.285 20 30 BEEDMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602511855 349585120 /nfs/dbraw/zinc/58/51/20/349585120.db2.gz VABARXSJXBUREA-CHWSQXEVSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602510283 349585278 /nfs/dbraw/zinc/58/52/78/349585278.db2.gz KXMKWBXOKAXJID-IYXRBSQSSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602548826 349590821 /nfs/dbraw/zinc/59/08/21/349590821.db2.gz FUIHUNMHTYKXRA-QWHCGFSZSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602548827 349591423 /nfs/dbraw/zinc/59/14/23/349591423.db2.gz FUIHUNMHTYKXRA-STQMWFEESA-N 2 1 225.380 2.246 20 30 BEEDMP C[N@@H+]1CCCC12CC[NH+](CCC(C)(C)C#N)CC2 ZINC000334925336 398274148 /nfs/dbraw/zinc/27/41/48/398274148.db2.gz DOYTZUHNYVTDFX-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@H+]1CCCC12CC[NH+](CCC(C)(C)C#N)CC2 ZINC000334925336 398274149 /nfs/dbraw/zinc/27/41/49/398274149.db2.gz DOYTZUHNYVTDFX-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000602684967 349677220 /nfs/dbraw/zinc/67/72/20/349677220.db2.gz CEYHQFYJZIUIHY-ZDUSSCGKSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CC[N@H+]1CCCC1(C)C ZINC000602684967 349677223 /nfs/dbraw/zinc/67/72/23/349677223.db2.gz CEYHQFYJZIUIHY-ZDUSSCGKSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000602664433 349683544 /nfs/dbraw/zinc/68/35/44/349683544.db2.gz DBVNSBIOKICVFV-HZSPNIEDSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000602664433 349683547 /nfs/dbraw/zinc/68/35/47/349683547.db2.gz DBVNSBIOKICVFV-HZSPNIEDSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000602664433 349683549 /nfs/dbraw/zinc/68/35/49/349683549.db2.gz DBVNSBIOKICVFV-HZSPNIEDSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000602664433 349683552 /nfs/dbraw/zinc/68/35/52/349683552.db2.gz DBVNSBIOKICVFV-HZSPNIEDSA-N 2 1 237.391 2.198 20 30 BEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602779830 349746250 /nfs/dbraw/zinc/74/62/50/349746250.db2.gz SIDCVNFFMOUWPC-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602779830 349746253 /nfs/dbraw/zinc/74/62/53/349746253.db2.gz SIDCVNFFMOUWPC-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602779830 349746256 /nfs/dbraw/zinc/74/62/56/349746256.db2.gz SIDCVNFFMOUWPC-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602779830 349746258 /nfs/dbraw/zinc/74/62/58/349746258.db2.gz SIDCVNFFMOUWPC-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CCC2(CC[N@@H+](CCCCC#N)C2)CC1 ZINC000602878103 349789992 /nfs/dbraw/zinc/78/99/92/349789992.db2.gz VCCNVIBLLRAEEX-UHFFFAOYSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000602877707 349790352 /nfs/dbraw/zinc/79/03/52/349790352.db2.gz KMRUJNOXXAQXOU-UONOGXRCSA-N 2 1 247.386 2.096 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878412 349790358 /nfs/dbraw/zinc/79/03/58/349790358.db2.gz SAVDDPWIBUQUJI-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339012281 136279738 /nfs/dbraw/zinc/27/97/38/136279738.db2.gz JIPZDTCWVUWAOR-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339012281 136279739 /nfs/dbraw/zinc/27/97/39/136279739.db2.gz JIPZDTCWVUWAOR-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[N@H+](C)CC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000602903157 349817520 /nfs/dbraw/zinc/81/75/20/349817520.db2.gz BWYTUGLGWXYKSR-UHFFFAOYSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000602903157 349817524 /nfs/dbraw/zinc/81/75/24/349817524.db2.gz BWYTUGLGWXYKSR-UHFFFAOYSA-N 2 1 237.391 2.390 20 30 BEEDMP C=CC[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000625700082 344039416 /nfs/dbraw/zinc/03/94/16/344039416.db2.gz ADCOEASJIRUPLX-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000625700082 344039419 /nfs/dbraw/zinc/03/94/19/344039419.db2.gz ADCOEASJIRUPLX-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000625700082 344039421 /nfs/dbraw/zinc/03/94/21/344039421.db2.gz ADCOEASJIRUPLX-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000179639343 346990868 /nfs/dbraw/zinc/99/08/68/346990868.db2.gz CUNCCEKWBKWOQK-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251719782 344231131 /nfs/dbraw/zinc/23/11/31/344231131.db2.gz JWZFJTDYJXVGHT-HUUCEWRRSA-N 2 1 243.354 2.117 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000126767110 344183859 /nfs/dbraw/zinc/18/38/59/344183859.db2.gz ACLJRUQDJIWFTL-STQMWFEESA-N 2 1 210.365 2.273 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000126851049 344184751 /nfs/dbraw/zinc/18/47/51/344184751.db2.gz WGXGNVMRUGHCRY-RWMBFGLXSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000126851049 344184752 /nfs/dbraw/zinc/18/47/52/344184752.db2.gz WGXGNVMRUGHCRY-RWMBFGLXSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000119910092 344674239 /nfs/dbraw/zinc/67/42/39/344674239.db2.gz QDJQGBQQBQWPDR-AWEZNQCLSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000125165503 345068395 /nfs/dbraw/zinc/06/83/95/345068395.db2.gz FFRINRMIORBCPE-UHFFFAOYSA-N 2 1 247.386 2.155 20 30 BEEDMP C[N@H+]1CC[C@]2(CC[NH+](CCCC(C)(C)C#N)C2)C1 ZINC000366307499 345201853 /nfs/dbraw/zinc/20/18/53/345201853.db2.gz MOACFDXRDLQUBL-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000366307499 345201855 /nfs/dbraw/zinc/20/18/55/345201855.db2.gz MOACFDXRDLQUBL-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@]2(CC[N@@H+](CCCC(C)(C)C#N)C2)C1 ZINC000366307499 345201856 /nfs/dbraw/zinc/20/18/56/345201856.db2.gz MOACFDXRDLQUBL-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[N@H+]1CC[C@@]2(CC[NH+](CCCC(C)(C)C#N)C2)C1 ZINC000366307500 345202236 /nfs/dbraw/zinc/20/22/36/345202236.db2.gz MOACFDXRDLQUBL-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@@]2(CC[N@H+](CCCC(C)(C)C#N)C2)C1 ZINC000366307500 345202238 /nfs/dbraw/zinc/20/22/38/345202238.db2.gz MOACFDXRDLQUBL-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCC(C)(C)C#N)C2)C1 ZINC000366307500 345202240 /nfs/dbraw/zinc/20/22/40/345202240.db2.gz MOACFDXRDLQUBL-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158851940 345380671 /nfs/dbraw/zinc/38/06/71/345380671.db2.gz RSMQSPCFERATPQ-RYUDHWBXSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158851940 345380673 /nfs/dbraw/zinc/38/06/73/345380673.db2.gz RSMQSPCFERATPQ-RYUDHWBXSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158851940 345380675 /nfs/dbraw/zinc/38/06/75/345380675.db2.gz RSMQSPCFERATPQ-RYUDHWBXSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158851940 345380676 /nfs/dbraw/zinc/38/06/76/345380676.db2.gz RSMQSPCFERATPQ-RYUDHWBXSA-N 2 1 228.767 2.155 20 30 BEEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000353576061 535016929 /nfs/dbraw/zinc/01/69/29/535016929.db2.gz MREPTWJNWPDLHM-RDBSUJKOSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000353576061 535016938 /nfs/dbraw/zinc/01/69/38/535016938.db2.gz MREPTWJNWPDLHM-RDBSUJKOSA-N 2 1 237.391 2.387 20 30 BEEDMP C[N@H+]1CCC[C@H]2C[NH+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000167557356 346276983 /nfs/dbraw/zinc/27/69/83/346276983.db2.gz SRHKPXNOOQDHFG-KBPBESRZSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000167557356 346276985 /nfs/dbraw/zinc/27/69/85/346276985.db2.gz SRHKPXNOOQDHFG-KBPBESRZSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000167557356 346276987 /nfs/dbraw/zinc/27/69/87/346276987.db2.gz SRHKPXNOOQDHFG-KBPBESRZSA-N 2 1 247.386 2.096 20 30 BEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000185776014 347214417 /nfs/dbraw/zinc/21/44/17/347214417.db2.gz OIPMTZYNKUDGCL-HZSPNIEDSA-N 2 1 247.386 2.143 20 30 BEEDMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCC#N ZINC000191486558 347353278 /nfs/dbraw/zinc/35/32/78/347353278.db2.gz SRPGGSCZVICVEB-UHFFFAOYSA-N 2 1 248.374 2.461 20 30 BEEDMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCC#N ZINC000191486558 347353281 /nfs/dbraw/zinc/35/32/81/347353281.db2.gz SRPGGSCZVICVEB-UHFFFAOYSA-N 2 1 248.374 2.461 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000364862615 347573183 /nfs/dbraw/zinc/57/31/83/347573183.db2.gz REWPCYWVLTYFOO-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000591573463 347676796 /nfs/dbraw/zinc/67/67/96/347676796.db2.gz ZCJVZVHEHJXRGN-CHWSQXEVSA-N 2 1 249.745 2.181 20 30 BEEDMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591579961 347677423 /nfs/dbraw/zinc/67/74/23/347677423.db2.gz BMHZGNNVFBQKAS-HIFRSBDPSA-N 2 1 243.354 2.263 20 30 BEEDMP CC(C)([NH3+])C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577509 347677665 /nfs/dbraw/zinc/67/76/65/347677665.db2.gz TURWLSHHEQSYKV-CQSZACIVSA-N 2 1 243.354 2.263 20 30 BEEDMP CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000591578056 347677987 /nfs/dbraw/zinc/67/79/87/347677987.db2.gz QIIWAGAZMJJHKK-MOKVOYLWSA-N 2 1 235.375 2.191 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000129369723 323174601 /nfs/dbraw/zinc/17/46/01/323174601.db2.gz IXMUKACFFOKULK-JHJVBQTASA-N 2 1 242.432 2.224 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504104 348264431 /nfs/dbraw/zinc/26/44/31/348264431.db2.gz FEHGWMCFNPVVGH-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504104 348264434 /nfs/dbraw/zinc/26/44/34/348264434.db2.gz FEHGWMCFNPVVGH-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504104 348264439 /nfs/dbraw/zinc/26/44/39/348264439.db2.gz FEHGWMCFNPVVGH-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000599071120 349087909 /nfs/dbraw/zinc/08/79/09/349087909.db2.gz QOTUSEWDOUGCIK-KFWWJZLASA-N 2 1 249.402 2.390 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000530213650 323216775 /nfs/dbraw/zinc/21/67/75/323216775.db2.gz ULVYVXYIZCPJSY-VXGBXAGGSA-N 2 1 210.365 2.176 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC#N)C[C@@H]1C ZINC000336717782 350469399 /nfs/dbraw/zinc/46/93/99/350469399.db2.gz YKTSFSPXUPRWOC-UONOGXRCSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC#N)C[C@@H]1C ZINC000336717782 350469400 /nfs/dbraw/zinc/46/94/00/350469400.db2.gz YKTSFSPXUPRWOC-UONOGXRCSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC#N)C[C@@H]1C ZINC000336717782 350469405 /nfs/dbraw/zinc/46/94/05/350469405.db2.gz YKTSFSPXUPRWOC-UONOGXRCSA-N 2 1 237.391 2.485 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336734209 351887335 /nfs/dbraw/zinc/88/73/35/351887335.db2.gz MZYUYACERJVOIO-FRRDWIJNSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336734209 351887339 /nfs/dbraw/zinc/88/73/39/351887339.db2.gz MZYUYACERJVOIO-FRRDWIJNSA-N 2 1 210.365 2.413 20 30 BEEDMP C=C(C)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081630971 353410863 /nfs/dbraw/zinc/41/08/63/353410863.db2.gz CTTVZOVFZNXURB-CQSZACIVSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081630971 353410867 /nfs/dbraw/zinc/41/08/67/353410867.db2.gz CTTVZOVFZNXURB-CQSZACIVSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081630971 353410871 /nfs/dbraw/zinc/41/08/71/353410871.db2.gz CTTVZOVFZNXURB-CQSZACIVSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCC[NH+](C)CC#CC[N@@H+](C)CCC=C ZINC000284114837 353509137 /nfs/dbraw/zinc/50/91/37/353509137.db2.gz NINKUIOPXHKJSU-UHFFFAOYSA-N 2 1 220.360 2.006 20 30 BEEDMP C=CC[N@@H+](C)CCCc1cnccc1C ZINC000289855734 353639487 /nfs/dbraw/zinc/63/94/87/353639487.db2.gz VOGWXQPOXCPOOA-UHFFFAOYSA-N 2 1 204.317 2.440 20 30 BEEDMP C[NH+](C)[C@@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000343433444 353885249 /nfs/dbraw/zinc/88/52/49/353885249.db2.gz VBVFVVGCBVSLNX-ZDUSSCGKSA-N 2 1 237.391 2.246 20 30 BEEDMP CC(C)[NH2+]C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334615583 354301554 /nfs/dbraw/zinc/30/15/54/354301554.db2.gz KXGYTTWHOUCXBS-JSGCOSHPSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351424417 355989435 /nfs/dbraw/zinc/98/94/35/355989435.db2.gz VZWGPEWITSQKHW-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351424417 355989438 /nfs/dbraw/zinc/98/94/38/355989438.db2.gz VZWGPEWITSQKHW-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351488725 355999397 /nfs/dbraw/zinc/99/93/97/355999397.db2.gz ASTPFNSJUVHXLJ-UONOGXRCSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351488725 355999400 /nfs/dbraw/zinc/99/94/00/355999400.db2.gz ASTPFNSJUVHXLJ-UONOGXRCSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@@H](CCC#N)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000351488725 355999406 /nfs/dbraw/zinc/99/94/06/355999406.db2.gz ASTPFNSJUVHXLJ-UONOGXRCSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@@H](CCC#N)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000351488725 355999411 /nfs/dbraw/zinc/99/94/11/355999411.db2.gz ASTPFNSJUVHXLJ-UONOGXRCSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCC#N)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351488726 355999925 /nfs/dbraw/zinc/99/99/25/355999925.db2.gz ASTPFNSJUVHXLJ-ZIAGYGMSSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCC#N)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000351488726 355999928 /nfs/dbraw/zinc/99/99/28/355999928.db2.gz ASTPFNSJUVHXLJ-ZIAGYGMSSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCC#N)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000351488726 355999931 /nfs/dbraw/zinc/99/99/31/355999931.db2.gz ASTPFNSJUVHXLJ-ZIAGYGMSSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCC#N)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000351488726 355999934 /nfs/dbraw/zinc/99/99/34/355999934.db2.gz ASTPFNSJUVHXLJ-ZIAGYGMSSA-N 2 1 237.391 2.485 20 30 BEEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000357532963 134183780 /nfs/dbraw/zinc/18/37/80/134183780.db2.gz RKATTYKNWJWBIE-LBPRGKRZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000357532963 134183781 /nfs/dbraw/zinc/18/37/81/134183781.db2.gz RKATTYKNWJWBIE-LBPRGKRZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000357532963 134183782 /nfs/dbraw/zinc/18/37/82/134183782.db2.gz RKATTYKNWJWBIE-LBPRGKRZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC000357532963 134183783 /nfs/dbraw/zinc/18/37/83/134183783.db2.gz RKATTYKNWJWBIE-LBPRGKRZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CCC[C@H](CC)[NH2+]CCc1c[nH+]cn1C ZINC000390639967 357109267 /nfs/dbraw/zinc/10/92/67/357109267.db2.gz MSPFCDQUVFDRBY-LBPRGKRZSA-N 2 1 221.348 2.297 20 30 BEEDMP C=CCCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423281332 192673996 /nfs/dbraw/zinc/67/39/96/192673996.db2.gz UHGALOICSACAGU-DGCLKSJQSA-N 2 1 210.365 2.448 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000361218059 134203940 /nfs/dbraw/zinc/20/39/40/134203940.db2.gz VSIPQJWJIKGKKS-STQMWFEESA-N 2 1 240.391 2.040 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)CCCCC#N)CC1 ZINC000042679771 358528710 /nfs/dbraw/zinc/52/87/10/358528710.db2.gz HXAKAQFNDSNEMA-UHFFFAOYSA-N 2 1 223.364 2.096 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)CCCCC#N)CC1 ZINC000042679771 358528714 /nfs/dbraw/zinc/52/87/14/358528714.db2.gz HXAKAQFNDSNEMA-UHFFFAOYSA-N 2 1 223.364 2.096 20 30 BEEDMP C=CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860239 358809093 /nfs/dbraw/zinc/80/90/93/358809093.db2.gz ZNUPZMDUHMUJTN-OCCSQVGLSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860239 358809094 /nfs/dbraw/zinc/80/90/94/358809094.db2.gz ZNUPZMDUHMUJTN-OCCSQVGLSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860239 358809097 /nfs/dbraw/zinc/80/90/97/358809097.db2.gz ZNUPZMDUHMUJTN-OCCSQVGLSA-N 2 1 220.360 2.121 20 30 BEEDMP N#CCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836174 359226644 /nfs/dbraw/zinc/22/66/44/359226644.db2.gz NWWIMZFVZDYYKK-OAHLLOKOSA-N 2 1 249.402 2.488 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396362 361044066 /nfs/dbraw/zinc/04/40/66/361044066.db2.gz LCKTVGGSEOIUFQ-FRRDWIJNSA-N 2 1 210.365 2.461 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367612840 367086665 /nfs/dbraw/zinc/08/66/65/367086665.db2.gz BISVQFYCRLQIOB-MCIONIFRSA-N 2 1 222.376 2.415 20 30 BEEDMP C[C@@H](C1CC1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)C1CC1 ZINC000581106436 367262628 /nfs/dbraw/zinc/26/26/28/367262628.db2.gz CMIPKALIVKPDOL-KBPBESRZSA-N 2 1 248.414 2.450 20 30 BEEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459732131 203345198 /nfs/dbraw/zinc/34/51/98/203345198.db2.gz OQUREXMXHZVFTH-OLZOCXBDSA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1C#N ZINC000600708223 369559954 /nfs/dbraw/zinc/55/99/54/369559954.db2.gz DPGCSEUWZFIMND-HUUCEWRRSA-N 2 1 243.354 2.226 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000163926936 372079264 /nfs/dbraw/zinc/07/92/64/372079264.db2.gz FLCHLLCDBQEADU-UHFFFAOYSA-N 2 1 210.365 2.273 20 30 BEEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000353971454 169196264 /nfs/dbraw/zinc/19/62/64/169196264.db2.gz JZYKYHKBNFSZBN-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000353971454 169196266 /nfs/dbraw/zinc/19/62/66/169196266.db2.gz JZYKYHKBNFSZBN-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP C=C(C)C[NH+](C)CCC[N@H+](C)CC(=C)C ZINC000181312607 134335516 /nfs/dbraw/zinc/33/55/16/134335516.db2.gz GEKDHDGGYKYTPO-UHFFFAOYSA-N 2 1 210.365 2.392 20 30 BEEDMP N#CCCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131811758 383862783 /nfs/dbraw/zinc/86/27/83/383862783.db2.gz QNIMNGFUSLUJMG-AWEZNQCLSA-N 2 1 245.326 2.229 20 30 BEEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000070074541 384231143 /nfs/dbraw/zinc/23/11/43/384231143.db2.gz UWIAXGLPDNVAJN-IUODEOHRSA-N 2 1 243.354 2.117 20 30 BEEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135691330 384275771 /nfs/dbraw/zinc/27/57/71/384275771.db2.gz WPDYRNGBTXHEAH-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135691330 384275777 /nfs/dbraw/zinc/27/57/77/384275777.db2.gz WPDYRNGBTXHEAH-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423280322 384530267 /nfs/dbraw/zinc/53/02/67/384530267.db2.gz UMLYMJOYIMLKSD-QWRGUYRKSA-N 2 1 249.333 2.203 20 30 BEEDMP C#C[C@H](CC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000310026166 384572071 /nfs/dbraw/zinc/57/20/71/384572071.db2.gz PJVSDBLCKXMFDJ-GFCCVEGCSA-N 2 1 222.376 2.251 20 30 BEEDMP N#CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157119012 385078877 /nfs/dbraw/zinc/07/88/77/385078877.db2.gz HFFROWKVTJIYFM-CQSZACIVSA-N 2 1 235.375 2.240 20 30 BEEDMP N#CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157119012 385078883 /nfs/dbraw/zinc/07/88/83/385078883.db2.gz HFFROWKVTJIYFM-CQSZACIVSA-N 2 1 235.375 2.240 20 30 BEEDMP CC(C)[NH+]1CCC([N@H+](C)CC2(CC#N)CC2)CC1 ZINC000602772961 385819983 /nfs/dbraw/zinc/81/99/83/385819983.db2.gz WUEJWZGXXIZERW-UHFFFAOYSA-N 2 1 249.402 2.485 20 30 BEEDMP CC(C)[NH+]1CCC([N@@H+](C)CC2(CC#N)CC2)CC1 ZINC000602772961 385819987 /nfs/dbraw/zinc/81/99/87/385819987.db2.gz WUEJWZGXXIZERW-UHFFFAOYSA-N 2 1 249.402 2.485 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228475119 385840704 /nfs/dbraw/zinc/84/07/04/385840704.db2.gz BXFONFXOCIWYQQ-YNEHKIRRSA-N 2 1 208.349 2.012 20 30 BEEDMP C=CCOc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414885918 386066843 /nfs/dbraw/zinc/06/68/43/386066843.db2.gz CCUYSIJJYUPJEN-HNNXBMFYSA-N 2 1 246.354 2.078 20 30 BEEDMP C=CC[N@@H+](CCC[NH3+])Cc1cccs1 ZINC000414673539 386147423 /nfs/dbraw/zinc/14/74/23/386147423.db2.gz CNTLXSOFFLGZST-UHFFFAOYSA-N 2 1 210.346 2.085 20 30 BEEDMP C=CC[N@H+](CCC[NH3+])Cc1cccs1 ZINC000414673539 386147426 /nfs/dbraw/zinc/14/74/26/386147426.db2.gz CNTLXSOFFLGZST-UHFFFAOYSA-N 2 1 210.346 2.085 20 30 BEEDMP C=CC[N@H+](CCC[NH3+])Cc1ccc(OC)cc1 ZINC000414683899 386168537 /nfs/dbraw/zinc/16/85/37/386168537.db2.gz CLCBZBDJSJVNOT-UHFFFAOYSA-N 2 1 234.343 2.032 20 30 BEEDMP C=CC[N@@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647872581 386138616 /nfs/dbraw/zinc/13/86/16/386138616.db2.gz BXVWQMZJIJBOIX-LBPRGKRZSA-N 2 1 236.384 2.346 20 30 BEEDMP C=CC[N@H+](Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647872581 386138619 /nfs/dbraw/zinc/13/86/19/386138619.db2.gz BXVWQMZJIJBOIX-LBPRGKRZSA-N 2 1 236.384 2.346 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000334912983 386985789 /nfs/dbraw/zinc/98/57/89/386985789.db2.gz NXKHLOQADXUZML-OCCSQVGLSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502000 387356336 /nfs/dbraw/zinc/35/63/36/387356336.db2.gz VQCRLGDNVSNLJI-OLZOCXBDSA-N 2 1 210.365 2.463 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192692008 387322171 /nfs/dbraw/zinc/32/21/71/387322171.db2.gz STWUQGQKXKEIHH-BFHYXJOUSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422981704 387793163 /nfs/dbraw/zinc/79/31/63/387793163.db2.gz PAGBFNKMGBARSF-VHSXEESVSA-N 2 1 205.305 2.109 20 30 BEEDMP C=CCSCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422949773 387806986 /nfs/dbraw/zinc/80/69/86/387806986.db2.gz WIOZYBZBJALBBT-SNVBAGLBSA-N 2 1 237.372 2.064 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442773391 387837131 /nfs/dbraw/zinc/83/71/31/387837131.db2.gz CMYINOYPEUNKIB-ZFWWWQNUSA-N 2 1 247.386 2.309 20 30 BEEDMP C[N@H+](CCN[C@@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442782670 387839551 /nfs/dbraw/zinc/83/95/51/387839551.db2.gz LUIHGNUWRWKKAU-CHWSQXEVSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442782670 387839564 /nfs/dbraw/zinc/83/95/64/387839564.db2.gz LUIHGNUWRWKKAU-CHWSQXEVSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442782670 387839569 /nfs/dbraw/zinc/83/95/69/387839569.db2.gz LUIHGNUWRWKKAU-CHWSQXEVSA-N 2 1 235.375 2.143 20 30 BEEDMP C=C(CC)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423163409 387946026 /nfs/dbraw/zinc/94/60/26/387946026.db2.gz RBOOKRCBWPZRGZ-SNVBAGLBSA-N 2 1 205.305 2.111 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCC[C@H]21 ZINC000424335540 387978775 /nfs/dbraw/zinc/97/87/75/387978775.db2.gz WWTVIOWMCXXKFJ-AIEDFZFUSA-N 2 1 247.386 2.141 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCC[C@@H]21 ZINC000424335538 387978073 /nfs/dbraw/zinc/97/80/73/387978073.db2.gz WWTVIOWMCXXKFJ-AICCOOGYSA-N 2 1 247.386 2.141 20 30 BEEDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423293537 388076363 /nfs/dbraw/zinc/07/63/63/388076363.db2.gz ADBWMUAVJCQLAG-RWMBFGLXSA-N 2 1 223.364 2.176 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@@H+]1C ZINC000447545308 388076603 /nfs/dbraw/zinc/07/66/03/388076603.db2.gz QZATXEGYHNLEKZ-XJFOESAGSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC[N@H+]1C ZINC000447545308 388076607 /nfs/dbraw/zinc/07/66/07/388076607.db2.gz QZATXEGYHNLEKZ-XJFOESAGSA-N 2 1 235.375 2.141 20 30 BEEDMP C=CCC[C@@H](CCC)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423268430 388047766 /nfs/dbraw/zinc/04/77/66/388047766.db2.gz DRCMCBNSPTVFOP-OLZOCXBDSA-N 2 1 210.365 2.448 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000453344646 388050167 /nfs/dbraw/zinc/05/01/67/388050167.db2.gz DXRXJTLNMGWCKF-BFHYXJOUSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(C)CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449477231 388214652 /nfs/dbraw/zinc/21/46/52/388214652.db2.gz OREVTZSEAJEHMB-UHFFFAOYSA-N 2 1 239.388 2.261 20 30 BEEDMP C#C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000491617646 388305209 /nfs/dbraw/zinc/30/52/09/388305209.db2.gz BKPOGCGPGQXRRJ-AWEZNQCLSA-N 2 1 236.403 2.497 20 30 BEEDMP C=C(C)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308634995 388446613 /nfs/dbraw/zinc/44/66/13/388446613.db2.gz MZOTULADROIXQA-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)C1CCC1 ZINC000322266848 388429688 /nfs/dbraw/zinc/42/96/88/388429688.db2.gz IZSBUAZBZZQCGE-AWEZNQCLSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)C1CCC1 ZINC000322266848 388429690 /nfs/dbraw/zinc/42/96/90/388429690.db2.gz IZSBUAZBZZQCGE-AWEZNQCLSA-N 2 1 222.376 2.110 20 30 BEEDMP CC[C@H](CC#N)[NH2+]CCCCn1cc[nH+]c1C ZINC000517038983 388535187 /nfs/dbraw/zinc/53/51/87/388535187.db2.gz TZGDRZBUWDJLME-CYBMUJFWSA-N 2 1 234.347 2.254 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC#N)[C@H](C)C1 ZINC000079461370 388535919 /nfs/dbraw/zinc/53/59/19/388535919.db2.gz RVTJWZJPEXOCEE-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC#N)[C@H](C)C1 ZINC000079461370 388535922 /nfs/dbraw/zinc/53/59/22/388535922.db2.gz RVTJWZJPEXOCEE-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC#N)[C@H](C)C1 ZINC000079461370 388535923 /nfs/dbraw/zinc/53/59/23/388535923.db2.gz RVTJWZJPEXOCEE-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000552100479 388669429 /nfs/dbraw/zinc/66/94/29/388669429.db2.gz JZYKYHKBNFSZBN-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000552100479 388669431 /nfs/dbraw/zinc/66/94/31/388669431.db2.gz JZYKYHKBNFSZBN-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000551386747 388627621 /nfs/dbraw/zinc/62/76/21/388627621.db2.gz BBWIECXFTLCYBJ-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP CC[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](CC)C2)C1 ZINC000551386747 388627624 /nfs/dbraw/zinc/62/76/24/388627624.db2.gz BBWIECXFTLCYBJ-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP CC[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](CC)C2)C1 ZINC000551386747 388627627 /nfs/dbraw/zinc/62/76/27/388627627.db2.gz BBWIECXFTLCYBJ-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000519138270 388664531 /nfs/dbraw/zinc/66/45/31/388664531.db2.gz NJXOAHPSJWKQSF-NSHDSACASA-N 2 1 249.333 2.348 20 30 BEEDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(C#N)c1 ZINC000423336626 388691266 /nfs/dbraw/zinc/69/12/66/388691266.db2.gz UUBPKMHRALUAAJ-NSHDSACASA-N 2 1 229.327 2.090 20 30 BEEDMP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313904 388691660 /nfs/dbraw/zinc/69/16/60/388691660.db2.gz GIPMZPXURCWUOY-CABCVRRESA-N 2 1 243.354 2.336 20 30 BEEDMP C[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000126486952 388695880 /nfs/dbraw/zinc/69/58/80/388695880.db2.gz GTTVCAOIYLIODF-UHFFFAOYSA-N 2 1 223.364 2.000 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)COCC)CC1 ZINC000153020406 388918504 /nfs/dbraw/zinc/91/85/04/388918504.db2.gz KGMUYYATISMYSO-ZDUSSCGKSA-N 2 1 240.391 2.042 20 30 BEEDMP N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000185775992 134394704 /nfs/dbraw/zinc/39/47/04/134394704.db2.gz OIPMTZYNKUDGCL-MELADBBJSA-N 2 1 247.386 2.143 20 30 BEEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248766272 135021489 /nfs/dbraw/zinc/02/14/89/135021489.db2.gz GXXDRQMUGPBTST-MCIONIFRSA-N 2 1 237.391 2.389 20 30 BEEDMP CC1=CCN(CC#CC[N@@H+]2CC=C(C)CC2)CC1 ZINC000341917155 135244790 /nfs/dbraw/zinc/24/47/90/135244790.db2.gz XGRDFOIHQPVQME-UHFFFAOYSA-N 2 1 244.382 2.294 20 30 BEEDMP CC1=CC[NH+](CC#CC[N@@H+]2CC=C(C)CC2)CC1 ZINC000341917155 135244793 /nfs/dbraw/zinc/24/47/93/135244793.db2.gz XGRDFOIHQPVQME-UHFFFAOYSA-N 2 1 244.382 2.294 20 30 BEEDMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623233 397993309 /nfs/dbraw/zinc/99/33/09/397993309.db2.gz KLBZAJHKAGYDPK-AWEZNQCLSA-N 2 1 237.391 2.344 20 30 BEEDMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623233 397993310 /nfs/dbraw/zinc/99/33/10/397993310.db2.gz KLBZAJHKAGYDPK-AWEZNQCLSA-N 2 1 237.391 2.344 20 30 BEEDMP C=CCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000336772655 166244283 /nfs/dbraw/zinc/24/42/83/166244283.db2.gz XWQRRPRXNVPXFX-OLZOCXBDSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000175993163 166352856 /nfs/dbraw/zinc/35/28/56/166352856.db2.gz BUIUYIAWJNYHII-QLFBSQMISA-N 2 1 246.398 2.439 20 30 BEEDMP C=CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000665237822 410726473 /nfs/dbraw/zinc/72/64/73/410726473.db2.gz KTGRJXHHCVMUAN-JSGCOSHPSA-N 2 1 218.344 2.111 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000656787631 411365435 /nfs/dbraw/zinc/36/54/35/411365435.db2.gz PQJNDVBLQGXYHX-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250536248 487945904 /nfs/dbraw/zinc/94/59/04/487945904.db2.gz YLTQSFSPJYPFCL-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000563353656 323120317 /nfs/dbraw/zinc/12/03/17/323120317.db2.gz FFICQXUZVXLMHW-UHFFFAOYSA-N 2 1 233.359 2.251 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227839 323132530 /nfs/dbraw/zinc/13/25/30/323132530.db2.gz RVTJWZJPEXOCEE-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227839 323132531 /nfs/dbraw/zinc/13/25/31/323132531.db2.gz RVTJWZJPEXOCEE-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP C=CCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000076001927 325325445 /nfs/dbraw/zinc/32/54/45/325325445.db2.gz OOPURPSPXILEEB-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309757076 326166527 /nfs/dbraw/zinc/16/65/27/326166527.db2.gz LTKXYTLXGUDWGP-RYUDHWBXSA-N 2 1 221.348 2.153 20 30 BEEDMP C=CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658113682 487544995 /nfs/dbraw/zinc/54/49/95/487544995.db2.gz IHRBHQLSMSXSML-YNEHKIRRSA-N 2 1 208.349 2.025 20 30 BEEDMP CCC#C[C@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000685004126 487491475 /nfs/dbraw/zinc/49/14/75/487491475.db2.gz FYXCOLKQTNICGJ-AWEZNQCLSA-N 2 1 222.376 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000685004126 487491479 /nfs/dbraw/zinc/49/14/79/487491479.db2.gz FYXCOLKQTNICGJ-AWEZNQCLSA-N 2 1 222.376 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228139 488135066 /nfs/dbraw/zinc/13/50/66/488135066.db2.gz VQIPNCOICGWPSI-ZIAGYGMSSA-N 2 1 222.376 2.204 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228139 488135071 /nfs/dbraw/zinc/13/50/71/488135071.db2.gz VQIPNCOICGWPSI-ZIAGYGMSSA-N 2 1 222.376 2.204 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678219387 488219692 /nfs/dbraw/zinc/21/96/92/488219692.db2.gz BWLUZQBGLGELTH-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678219387 488219694 /nfs/dbraw/zinc/21/96/94/488219694.db2.gz BWLUZQBGLGELTH-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C=C(CC)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000358514325 534373915 /nfs/dbraw/zinc/37/39/15/534373915.db2.gz WAEBTLGDIVXFQD-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000358514325 534373922 /nfs/dbraw/zinc/37/39/22/534373922.db2.gz WAEBTLGDIVXFQD-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358514325 534373930 /nfs/dbraw/zinc/37/39/30/534373930.db2.gz WAEBTLGDIVXFQD-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358514325 534373934 /nfs/dbraw/zinc/37/39/34/534373934.db2.gz WAEBTLGDIVXFQD-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000358515330 534396073 /nfs/dbraw/zinc/39/60/73/534396073.db2.gz YJPUFPOZAWTNRL-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000358515330 534396079 /nfs/dbraw/zinc/39/60/79/534396079.db2.gz YJPUFPOZAWTNRL-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000358515330 534396086 /nfs/dbraw/zinc/39/60/86/534396086.db2.gz YJPUFPOZAWTNRL-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261548665 534694988 /nfs/dbraw/zinc/69/49/88/534694988.db2.gz NUJCWCCAHBXTTD-ZDUSSCGKSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000366231426 534720185 /nfs/dbraw/zinc/72/01/85/534720185.db2.gz NKNDOZNCNHRWTE-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000366231426 534720189 /nfs/dbraw/zinc/72/01/89/534720189.db2.gz NKNDOZNCNHRWTE-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000366231426 534720191 /nfs/dbraw/zinc/72/01/91/534720191.db2.gz NKNDOZNCNHRWTE-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000339156832 536346845 /nfs/dbraw/zinc/34/68/45/536346845.db2.gz VYRMYNZLTQEHAA-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000339156832 536346848 /nfs/dbraw/zinc/34/68/48/536346848.db2.gz VYRMYNZLTQEHAA-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP CC1([NH+]2CCC2)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000880473239 583542208 /nfs/dbraw/zinc/54/22/08/583542208.db2.gz ACWNSESRGAXQQL-ZIAGYGMSSA-N 2 1 247.386 2.239 20 30 BEEDMP Cc1cc(C[NH2+]CC[C@H](C)[NH+](C)C)ccc1C#N ZINC000895294384 583638298 /nfs/dbraw/zinc/63/82/98/583638298.db2.gz PNTZVTFGSFVQAT-ZDUSSCGKSA-N 2 1 245.370 2.297 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348760 584559710 /nfs/dbraw/zinc/55/97/10/584559710.db2.gz WJDQEWPGFSMTBF-SNVBAGLBSA-N 2 1 216.756 2.107 20 30 BEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)C1 ZINC000902482141 584623884 /nfs/dbraw/zinc/62/38/84/584623884.db2.gz JPOYHLAELHXKSF-MCIONIFRSA-N 2 1 235.375 2.191 20 30 BEEDMP CC(C)[C@@](C)(C[NH3+])[NH2+]CC1CCC(C#N)CC1 ZINC000903427323 584761694 /nfs/dbraw/zinc/76/16/94/584761694.db2.gz WGRWXLVSIYDBNP-JXQTWKCFSA-N 2 1 237.391 2.279 20 30 BEEDMP C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1C[NH3+] ZINC000903459752 584765809 /nfs/dbraw/zinc/76/58/09/584765809.db2.gz ZAXWULDATGQRFS-URGYJCLVSA-N 2 1 249.402 2.233 20 30 BEEDMP C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1C[NH3+] ZINC000903459751 584766004 /nfs/dbraw/zinc/76/60/04/584766004.db2.gz ZAXWULDATGQRFS-PPWQZUPISA-N 2 1 249.402 2.233 20 30 BEEDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCC(C#N)CC1 ZINC000903460668 584766601 /nfs/dbraw/zinc/76/66/01/584766601.db2.gz HFUUJQVDKTZSKF-RYSNWHEDSA-N 2 1 235.375 2.128 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903449956 584771724 /nfs/dbraw/zinc/77/17/24/584771724.db2.gz YLQFEWRGDGFFNP-NRXISQOPSA-N 2 1 247.386 2.002 20 30 BEEDMP N#CC1CCC(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000903464612 584771959 /nfs/dbraw/zinc/77/19/59/584771959.db2.gz UEFWQJTVZVOLBH-NEXFUWMNSA-N 2 1 247.386 2.130 20 30 BEEDMP N#C[C@@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000903563805 584782464 /nfs/dbraw/zinc/78/24/64/584782464.db2.gz LJHZONSKRAQZOF-ZDUSSCGKSA-N 2 1 223.364 2.131 20 30 BEEDMP C=CCCC(C)(C)[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903933874 584824991 /nfs/dbraw/zinc/82/49/91/584824991.db2.gz XLUWQFPTENNXCS-SECBINFHSA-N 2 1 220.307 2.303 20 30 BEEDMP C#C[C@H](C)[NH+](C)CCCCCC[N@H+](C)[C@@H](C)C#C ZINC000769961090 585567453 /nfs/dbraw/zinc/56/74/53/585567453.db2.gz ISXDIJNSEARJHI-HOTGVXAUSA-N 2 1 248.414 2.454 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817903853 586837486 /nfs/dbraw/zinc/83/74/86/586837486.db2.gz MGZTYGTUPZWBTB-VIFPVBQESA-N 2 1 239.750 2.252 20 30 BEEDMP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000817977236 586861357 /nfs/dbraw/zinc/86/13/57/586861357.db2.gz FIFILOHMBLJTHM-AGIUHOORSA-N 2 1 246.354 2.085 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)CC ZINC000834814332 587767514 /nfs/dbraw/zinc/76/75/14/587767514.db2.gz IJVBDYLILMIDCJ-CYBMUJFWSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)CC ZINC000834814332 587767515 /nfs/dbraw/zinc/76/75/15/587767515.db2.gz IJVBDYLILMIDCJ-CYBMUJFWSA-N 2 1 224.392 2.356 20 30 BEEDMP C#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000834903761 587769967 /nfs/dbraw/zinc/76/99/67/587769967.db2.gz REWFVTVDOCYIKQ-BBRMVZONSA-N 2 1 242.366 2.240 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000850470395 588549311 /nfs/dbraw/zinc/54/93/11/588549311.db2.gz AIQQTHUZNBYUPY-LLVKDONJSA-N 2 1 246.345 2.211 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000850470395 588549312 /nfs/dbraw/zinc/54/93/12/588549312.db2.gz AIQQTHUZNBYUPY-LLVKDONJSA-N 2 1 246.345 2.211 20 30 BEEDMP C#CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852115123 588664644 /nfs/dbraw/zinc/66/46/44/588664644.db2.gz BITSLQJVFMDZRC-UHFFFAOYSA-N 2 1 242.366 2.264 20 30 BEEDMP CCCCCCC[N@@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000122158999 589557795 /nfs/dbraw/zinc/55/77/95/589557795.db2.gz ZAOXYIRJULEMKM-OLZOCXBDSA-N 2 1 228.380 2.005 20 30 BEEDMP CCCCCCC[N@H+]1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000122158999 589557797 /nfs/dbraw/zinc/55/77/97/589557797.db2.gz ZAOXYIRJULEMKM-OLZOCXBDSA-N 2 1 228.380 2.005 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000872140673 589881845 /nfs/dbraw/zinc/88/18/45/589881845.db2.gz VRCBFDDLWDCVHW-NGEFAJANSA-N 2 1 246.398 2.393 20 30 BEEDMP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[NH2+]C1 ZINC000873237581 590004091 /nfs/dbraw/zinc/00/40/91/590004091.db2.gz RCWDCVMFZAXEGB-MELADBBJSA-N 2 1 249.402 2.437 20 30 BEEDMP C#CCCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000876899249 590255483 /nfs/dbraw/zinc/25/54/83/590255483.db2.gz VDFULVVRUFBDGJ-UHFFFAOYSA-N 2 1 222.376 2.254 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578804 590816208 /nfs/dbraw/zinc/81/62/08/590816208.db2.gz HCNLOGGEAAYZDF-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578804 590816211 /nfs/dbraw/zinc/81/62/11/590816211.db2.gz HCNLOGGEAAYZDF-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578804 590816214 /nfs/dbraw/zinc/81/62/14/590816214.db2.gz HCNLOGGEAAYZDF-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578804 590816216 /nfs/dbraw/zinc/81/62/16/590816216.db2.gz HCNLOGGEAAYZDF-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424021 591659197 /nfs/dbraw/zinc/65/91/97/591659197.db2.gz BPDGRAVHJDPHRW-GFCCVEGCSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000883428853 591660811 /nfs/dbraw/zinc/66/08/11/591660811.db2.gz DTPMRDLSJROMJN-IHRRRGAJSA-N 2 1 222.376 2.273 20 30 BEEDMP C#CC[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000886356138 592216174 /nfs/dbraw/zinc/21/61/74/592216174.db2.gz UORNHUKWJDNWQT-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000886356138 592216175 /nfs/dbraw/zinc/21/61/75/592216175.db2.gz UORNHUKWJDNWQT-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000886356138 592216177 /nfs/dbraw/zinc/21/61/77/592216177.db2.gz UORNHUKWJDNWQT-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887132300 592448477 /nfs/dbraw/zinc/44/84/77/592448477.db2.gz CFKQWONHTGXISV-ZDUSSCGKSA-N 2 1 231.343 2.168 20 30 BEEDMP C=C(C)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887130241 592448762 /nfs/dbraw/zinc/44/87/62/592448762.db2.gz ABOFARWTAYBWKX-CYBMUJFWSA-N 2 1 231.343 2.168 20 30 BEEDMP C#C[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000934515879 631897690 /nfs/dbraw/zinc/89/76/90/631897690.db2.gz ZSHITKCHQSIUGO-OAHLLOKOSA-N 2 1 245.370 2.459 20 30 BEEDMP C#C[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000934515879 631897692 /nfs/dbraw/zinc/89/76/92/631897692.db2.gz ZSHITKCHQSIUGO-OAHLLOKOSA-N 2 1 245.370 2.459 20 30 BEEDMP C[N@@H+](Cc1ccccc1C#N)C1CCC([NH3+])CC1 ZINC000091847114 632510244 /nfs/dbraw/zinc/51/02/44/632510244.db2.gz QTMUJCQTOWFGPQ-UHFFFAOYSA-N 2 1 243.354 2.260 20 30 BEEDMP C[N@@H+](Cc1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000091844095 633071085 /nfs/dbraw/zinc/07/10/85/633071085.db2.gz SAKITVVSNBYNNX-UHFFFAOYSA-N 2 1 243.354 2.260 20 30 BEEDMP C#CC[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895102294 636057171 /nfs/dbraw/zinc/05/71/71/636057171.db2.gz WHIRIVPZTRNLAU-CQSZACIVSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(C)c1C ZINC000328218180 633741371 /nfs/dbraw/zinc/74/13/71/633741371.db2.gz YUOPGRARLZUGLC-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(C)c1C ZINC000328218180 633741378 /nfs/dbraw/zinc/74/13/78/633741378.db2.gz YUOPGRARLZUGLC-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP CCCCCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250843446 635701013 /nfs/dbraw/zinc/70/10/13/635701013.db2.gz ZAOXYIRJULEMKM-QWHCGFSZSA-N 2 1 228.380 2.005 20 30 BEEDMP CCCCCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250843446 635701018 /nfs/dbraw/zinc/70/10/18/635701018.db2.gz ZAOXYIRJULEMKM-QWHCGFSZSA-N 2 1 228.380 2.005 20 30 BEEDMP C=CCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311183 640140102 /nfs/dbraw/zinc/14/01/02/640140102.db2.gz OKXZZSLEAYYKMY-KBPBESRZSA-N 2 1 222.376 2.226 20 30 BEEDMP C#CCC1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC000933299104 640695586 /nfs/dbraw/zinc/69/55/86/640695586.db2.gz NJPYRWQZTAORFG-CYBMUJFWSA-N 2 1 220.360 2.006 20 30 BEEDMP C=CC[C@H]1CC[NH+]1CC#CC[N@@H+]1CC[C@@H]1CC=C ZINC000934458637 641152543 /nfs/dbraw/zinc/15/25/43/641152543.db2.gz BNEQHDKSVUAGEQ-HOTGVXAUSA-N 2 1 244.382 2.291 20 30 BEEDMP C[C@@]1(C#N)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923395403 644402843 /nfs/dbraw/zinc/40/28/43/644402843.db2.gz LCDMMBBTIIBHDO-DKUMPPAJSA-N 2 1 247.386 2.143 20 30 BEEDMP C#CC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000829804927 645112033 /nfs/dbraw/zinc/11/20/33/645112033.db2.gz NNDSIHXRDPGPNJ-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925690118 646416179 /nfs/dbraw/zinc/41/61/79/646416179.db2.gz HLKICQUGIFPSEZ-GFCCVEGCSA-N 2 1 208.349 2.217 20 30 BEEDMP C=CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925704626 646428384 /nfs/dbraw/zinc/42/83/84/646428384.db2.gz ICKLGTONHKKDEJ-DGCLKSJQSA-N 2 1 204.317 2.241 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000383093011 710966404 /nfs/dbraw/zinc/96/64/04/710966404.db2.gz XSLBELXIXVQKQX-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000383093011 710966405 /nfs/dbraw/zinc/96/64/05/710966405.db2.gz XSLBELXIXVQKQX-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000383151680 710978033 /nfs/dbraw/zinc/97/80/33/710978033.db2.gz JUGOZIMSUAVFEV-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000383151680 710978035 /nfs/dbraw/zinc/97/80/35/710978035.db2.gz JUGOZIMSUAVFEV-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000390529640 711124403 /nfs/dbraw/zinc/12/44/03/711124403.db2.gz IAFPBXQKIYJGES-OCCSQVGLSA-N 2 1 222.376 2.415 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000393957138 711180935 /nfs/dbraw/zinc/18/09/35/711180935.db2.gz KXIBSCKFFXVBDY-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000393957138 711180938 /nfs/dbraw/zinc/18/09/38/711180938.db2.gz KXIBSCKFFXVBDY-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000701911392 712031872 /nfs/dbraw/zinc/03/18/72/712031872.db2.gz VSPJREVICDONIX-VXGBXAGGSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000703671634 712082504 /nfs/dbraw/zinc/08/25/04/712082504.db2.gz SCECEIPSGOSWOZ-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000705926224 712138446 /nfs/dbraw/zinc/13/84/46/712138446.db2.gz KBVAQDBBRSEENI-UPJWGTAASA-N 2 1 208.349 2.012 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000714995258 712503004 /nfs/dbraw/zinc/50/30/04/712503004.db2.gz GIZDYDDCSWJNSS-VHDGCEQUSA-N 2 1 230.355 2.378 20 30 BEEDMP C=CC[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000714995258 712503005 /nfs/dbraw/zinc/50/30/05/712503005.db2.gz GIZDYDDCSWJNSS-VHDGCEQUSA-N 2 1 230.355 2.378 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001207836212 968895018 /nfs/dbraw/zinc/89/50/18/968895018.db2.gz HQPFVMIUVUMYOA-IGQOVBAYSA-N 2 1 222.376 2.271 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000686679772 1166745934 /nfs/dbraw/zinc/74/59/34/1166745934.db2.gz PEKACSUULHYGSG-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000686679772 1166745939 /nfs/dbraw/zinc/74/59/39/1166745939.db2.gz PEKACSUULHYGSG-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000686679772 1166745945 /nfs/dbraw/zinc/74/59/45/1166745945.db2.gz PEKACSUULHYGSG-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000688285133 1167107849 /nfs/dbraw/zinc/10/78/49/1167107849.db2.gz UHVUKHUDKKMABW-UHFFFAOYSA-N 2 1 244.329 2.109 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000688285133 1167107852 /nfs/dbraw/zinc/10/78/52/1167107852.db2.gz UHVUKHUDKKMABW-UHFFFAOYSA-N 2 1 244.329 2.109 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000696104797 1167653404 /nfs/dbraw/zinc/65/34/04/1167653404.db2.gz MXZAYZMNUNYPOH-HZPDHXFCSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000696104797 1167653407 /nfs/dbraw/zinc/65/34/07/1167653407.db2.gz MXZAYZMNUNYPOH-HZPDHXFCSA-N 2 1 248.414 2.500 20 30 BEEDMP C=CCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235259556 1167785539 /nfs/dbraw/zinc/78/55/39/1167785539.db2.gz MJCIFIZCWOJVJL-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086818613 1168311361 /nfs/dbraw/zinc/31/13/61/1168311361.db2.gz QSKZXNLCQKXUGZ-HNNXBMFYSA-N 2 1 243.354 2.132 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173328263 1168686237 /nfs/dbraw/zinc/68/62/37/1168686237.db2.gz UZHJZONMXIKHPF-SLTAFYQDSA-N 2 1 249.402 2.390 20 30 BEEDMP C#CC[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000886362827 1168981026 /nfs/dbraw/zinc/98/10/26/1168981026.db2.gz PEQCTGXHURDQFW-OAHLLOKOSA-N 2 1 245.370 2.317 20 30 BEEDMP C#CC[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000886362827 1168981033 /nfs/dbraw/zinc/98/10/33/1168981033.db2.gz PEQCTGXHURDQFW-OAHLLOKOSA-N 2 1 245.370 2.317 20 30 BEEDMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001246579921 972915985 /nfs/dbraw/zinc/91/59/85/972915985.db2.gz VGQDXJPIIDOMHF-IHRRRGAJSA-N 2 1 235.375 2.130 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257207889 971127368 /nfs/dbraw/zinc/12/73/68/971127368.db2.gz AJHDJKFJTZXNFM-AWEZNQCLSA-N 2 1 222.376 2.251 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+]C3(C[NH3+])CC3)C[C@H](C1)C2 ZINC001257890318 971522699 /nfs/dbraw/zinc/52/26/99/971522699.db2.gz UMGHUZIJLWDVTR-FUNVUKJBSA-N 2 1 220.360 2.202 20 30 BEEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@H](C#N)C1 ZINC001167838430 961214365 /nfs/dbraw/zinc/21/43/65/961214365.db2.gz UIZPMYGEHAYTRX-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP C#Cc1cccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)c1 ZINC001206633021 962150809 /nfs/dbraw/zinc/15/08/09/962150809.db2.gz RFSLYUPLAKRWQG-MRXNPFEDSA-N 2 1 242.366 2.229 20 30 BEEDMP C=CCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC000711320596 962684195 /nfs/dbraw/zinc/68/41/95/962684195.db2.gz IEMSKWJWKRTBGP-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP Cc1ccc(CC#N)c(N[C@H]2CCC[C@@H]([NH3+])C2)[nH+]1 ZINC001154988142 962932396 /nfs/dbraw/zinc/93/23/96/962932396.db2.gz PELDWLKRHPCXBU-OLZOCXBDSA-N 2 1 244.342 2.138 20 30 BEEDMP C#C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969854 963045063 /nfs/dbraw/zinc/04/50/63/963045063.db2.gz GRNWMDLAOYGCQI-JZIBPQBNSA-N 2 1 232.371 2.003 20 30 BEEDMP C#C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969854 963045074 /nfs/dbraw/zinc/04/50/74/963045074.db2.gz GRNWMDLAOYGCQI-JZIBPQBNSA-N 2 1 232.371 2.003 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000822123790 963938834 /nfs/dbraw/zinc/93/88/34/963938834.db2.gz DXAYEZGDHWWESB-OLZOCXBDSA-N 2 1 210.365 2.415 20 30 BEEDMP C#Cc1ccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218127 966314117 /nfs/dbraw/zinc/31/41/17/966314117.db2.gz REZOMOANPHPTAT-CVEARBPZSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1ccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218127 966314127 /nfs/dbraw/zinc/31/41/27/966314127.db2.gz REZOMOANPHPTAT-CVEARBPZSA-N 2 1 242.366 2.370 20 30 BEEDMP N#Cc1cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)ccc1F ZINC001205095356 967339035 /nfs/dbraw/zinc/33/90/35/967339035.db2.gz XGMZFTNJDSQSHW-CYBMUJFWSA-N 2 1 247.317 2.011 20 30 BEEDMP N#Cc1cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)ccc1F ZINC001205095356 967339050 /nfs/dbraw/zinc/33/90/50/967339050.db2.gz XGMZFTNJDSQSHW-CYBMUJFWSA-N 2 1 247.317 2.011 20 30 BEEDMP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001205117531 967367913 /nfs/dbraw/zinc/36/79/13/967367913.db2.gz QINAQNPKADTXRR-HNNXBMFYSA-N 2 1 243.354 2.180 20 30 BEEDMP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001205117531 967367923 /nfs/dbraw/zinc/36/79/23/967367923.db2.gz QINAQNPKADTXRR-HNNXBMFYSA-N 2 1 243.354 2.180 20 30 BEEDMP C=CCCCCCC[N@H+](C)C[C@H]1CNCCO1 ZINC001205376167 967598174 /nfs/dbraw/zinc/59/81/74/967598174.db2.gz CTSBWLDYZHNJAE-CQSZACIVSA-N 2 1 240.391 2.043 20 30 BEEDMP C=CCCCCCC[N@H+](C)C[C@@H]1CNCCO1 ZINC001205376165 967599678 /nfs/dbraw/zinc/59/96/78/967599678.db2.gz CTSBWLDYZHNJAE-AWEZNQCLSA-N 2 1 240.391 2.043 20 30 BEEDMP C=CCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763422 967814331 /nfs/dbraw/zinc/81/43/31/967814331.db2.gz PUTLDOKIVHDCKM-NSHDSACASA-N 2 1 232.318 2.259 20 30 BEEDMP CCCC[N@@H+](CCC#N)CC1CC[NH2+]CC1 ZINC001207437772 968769943 /nfs/dbraw/zinc/76/99/43/968769943.db2.gz ZEDICFYOAOBGOX-UHFFFAOYSA-N 2 1 223.364 2.002 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(S)CC1)C2 ZINC001169144133 969465231 /nfs/dbraw/zinc/46/52/31/969465231.db2.gz JMRCMCCQRNHVAY-ZSBIGDGJSA-N 2 1 240.416 2.006 20 30 BEEDMP CC[NH+]1CCC([N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001169258624 969545151 /nfs/dbraw/zinc/54/51/51/969545151.db2.gz PBZSRJOUSFDFLL-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[NH+]1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001169258624 969545156 /nfs/dbraw/zinc/54/51/56/969545156.db2.gz PBZSRJOUSFDFLL-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@@H+]1CCC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001254506864 969675777 /nfs/dbraw/zinc/67/57/77/969675777.db2.gz BTHBCGCDMDHUHH-INIZCTEOSA-N 2 1 242.366 2.112 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001254506864 969675785 /nfs/dbraw/zinc/67/57/85/969675785.db2.gz BTHBCGCDMDHUHH-INIZCTEOSA-N 2 1 242.366 2.112 20 30 BEEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254643284 969759167 /nfs/dbraw/zinc/75/91/67/969759167.db2.gz NSEYDRAVLBFWPE-CRWXNKLISA-N 2 1 235.375 2.141 20 30 BEEDMP CC[C@H](CC#N)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001255176281 969993295 /nfs/dbraw/zinc/99/32/95/969993295.db2.gz ZDNNTJNJVXMBFQ-GFCCVEGCSA-N 2 1 232.331 2.215 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553413 972751900 /nfs/dbraw/zinc/75/19/00/972751900.db2.gz RSMALACJWSNUBE-OLZOCXBDSA-N 2 1 223.364 2.272 20 30 BEEDMP C[C@@H]1CC[N@H+](C2CCC(C#N)CC2)CC[C@H]1C[NH3+] ZINC001246561385 972785064 /nfs/dbraw/zinc/78/50/64/972785064.db2.gz SICDTCBFVOSLCM-JLVJUDLZSA-N 2 1 249.402 2.376 20 30 BEEDMP C=CCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154436 974334895 /nfs/dbraw/zinc/33/48/95/974334895.db2.gz IZVZEBHUXMFVTL-STQMWFEESA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206154436 974334906 /nfs/dbraw/zinc/33/49/06/974334906.db2.gz IZVZEBHUXMFVTL-STQMWFEESA-N 2 1 228.355 2.494 20 30 BEEDMP C=C(C)C[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099859 974345782 /nfs/dbraw/zinc/34/57/82/974345782.db2.gz NNBLEXOEFGTEJX-CLLJXQQHSA-N 2 1 208.349 2.167 20 30 BEEDMP C#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127435 974350938 /nfs/dbraw/zinc/35/09/38/974350938.db2.gz JLASQQQZRJNKKB-MUJYYYPQSA-N 2 1 246.398 2.347 20 30 BEEDMP C#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127435 974350948 /nfs/dbraw/zinc/35/09/48/974350948.db2.gz JLASQQQZRJNKKB-MUJYYYPQSA-N 2 1 246.398 2.347 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)[C@H](C)CCCC#N)CC1 ZINC001172506796 974860242 /nfs/dbraw/zinc/86/02/42/974860242.db2.gz JNVFOAMKJRAHPH-CYBMUJFWSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)[C@H](C)CCCC#N)CC1 ZINC001172506796 974860245 /nfs/dbraw/zinc/86/02/45/974860245.db2.gz JNVFOAMKJRAHPH-CYBMUJFWSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001172508963 974862038 /nfs/dbraw/zinc/86/20/38/974862038.db2.gz ICFZVWWMURMNLZ-RDBSUJKOSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332710 975281783 /nfs/dbraw/zinc/28/17/83/975281783.db2.gz SCYVARUSDCUVQI-PPWQZUPISA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332710 975281787 /nfs/dbraw/zinc/28/17/87/975281787.db2.gz SCYVARUSDCUVQI-PPWQZUPISA-N 2 1 249.402 2.389 20 30 BEEDMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173584934 975427890 /nfs/dbraw/zinc/42/78/90/975427890.db2.gz SGIGTQJXPBQIER-HSBZDZAISA-N 2 1 235.375 2.000 20 30 BEEDMP CC1(C#N)CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001173587180 975434193 /nfs/dbraw/zinc/43/41/93/975434193.db2.gz QQWRLVVHFVYUAD-UHFFFAOYSA-N 2 1 232.331 2.029 20 30 BEEDMP C=CCCCCCCC[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235211028 978998151 /nfs/dbraw/zinc/99/81/51/978998151.db2.gz SVEGNXMNFJDMSJ-WDNDVIMCSA-N 2 1 222.376 2.402 20 30 BEEDMP C[N@H+]1CCCC2(CC[NH+](CCCCC#N)CC2)C1 ZINC001277949557 979054264 /nfs/dbraw/zinc/05/42/64/979054264.db2.gz XIQLBHJEEACEME-UHFFFAOYSA-N 2 1 249.402 2.488 20 30 BEEDMP C[NH+](C)CCC[N@H+](C)Cc1ccccc1CC#N ZINC001235512922 979063223 /nfs/dbraw/zinc/06/32/23/979063223.db2.gz XRVMQWCOIWDKMW-UHFFFAOYSA-N 2 1 245.370 2.136 20 30 BEEDMP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1CC#N ZINC001235512922 979063232 /nfs/dbraw/zinc/06/32/32/979063232.db2.gz XRVMQWCOIWDKMW-UHFFFAOYSA-N 2 1 245.370 2.136 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060423 979351794 /nfs/dbraw/zinc/35/17/94/979351794.db2.gz QESHZPMJUJKQFL-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060423 979351804 /nfs/dbraw/zinc/35/18/04/979351804.db2.gz QESHZPMJUJKQFL-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP CCCCCCCCC[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001236424873 979596116 /nfs/dbraw/zinc/59/61/16/979596116.db2.gz YJIPURNBIKIFMP-UONOGXRCSA-N 2 1 242.407 2.131 20 30 BEEDMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCC#N)cc1 ZINC000859213181 983806748 /nfs/dbraw/zinc/80/67/48/983806748.db2.gz MRAYTMFBATUOHZ-UHFFFAOYSA-N 2 1 245.370 2.484 20 30 BEEDMP N#CCC1(C[N@H+]2C[C@H]3CCCC[C@@]3(C[NH3+])C2)CC1 ZINC001580047529 986476814 /nfs/dbraw/zinc/47/68/14/986476814.db2.gz JKUOUIZVLCPXSE-UKRRQHHQSA-N 2 1 247.386 2.131 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553696 987963378 /nfs/dbraw/zinc/96/33/78/987963378.db2.gz BWCHHJBHVPVTCA-GHMZBOCLSA-N 2 1 232.318 2.257 20 30 BEEDMP CCCCCCC[C@H](CC)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246559189 987981653 /nfs/dbraw/zinc/98/16/53/987981653.db2.gz SKLMTLCGGDMDHU-BFHYXJOUSA-N 2 1 242.407 2.129 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4[NH2+]C[C@H]4C3)C[C@H](C1)C2 ZINC001246630965 988311020 /nfs/dbraw/zinc/31/10/20/988311020.db2.gz MPOUAKDDIUFPRX-YSEJDXQZSA-N 2 1 246.398 2.415 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[NH2+]C[C@H]4C3)C[C@H](C1)C2 ZINC001246630965 988311032 /nfs/dbraw/zinc/31/10/32/988311032.db2.gz MPOUAKDDIUFPRX-YSEJDXQZSA-N 2 1 246.398 2.415 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643991 988352988 /nfs/dbraw/zinc/35/29/88/988352988.db2.gz OSFMYEUQQKSIGA-KGLIPLIRSA-N 2 1 235.375 2.287 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643991 988352976 /nfs/dbraw/zinc/35/29/76/988352976.db2.gz OSFMYEUQQKSIGA-KGLIPLIRSA-N 2 1 235.375 2.287 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643994 988358331 /nfs/dbraw/zinc/35/83/31/988358331.db2.gz OSFMYEUQQKSIGA-ZIAGYGMSSA-N 2 1 235.375 2.287 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643994 988358345 /nfs/dbraw/zinc/35/83/45/988358345.db2.gz OSFMYEUQQKSIGA-ZIAGYGMSSA-N 2 1 235.375 2.287 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH2+]CC[C@@H]43)C[C@H](C1)C2 ZINC001246672742 988415665 /nfs/dbraw/zinc/41/56/65/988415665.db2.gz LDLVUONHVNTHCD-GOZOTGFRSA-N 2 1 246.398 2.415 20 30 BEEDMP C=CC[N@H+]([C@@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C ZINC001246921506 988730360 /nfs/dbraw/zinc/73/03/60/988730360.db2.gz QNCYKLDENUGGFI-NWDGAFQWSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326276450 989458748 /nfs/dbraw/zinc/45/87/48/989458748.db2.gz ASTKWGZHCMBHQA-UHFFFAOYSA-N 2 1 222.376 2.418 20 30 BEEDMP C#CC[C@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001308831285 991166589 /nfs/dbraw/zinc/16/65/89/991166589.db2.gz AIEOZGUDJBSWAC-HNNXBMFYSA-N 2 1 248.414 2.454 20 30 BEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258735970 991685740 /nfs/dbraw/zinc/68/57/40/991685740.db2.gz GZVOXECAGSRDEM-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258735970 991685747 /nfs/dbraw/zinc/68/57/47/991685747.db2.gz GZVOXECAGSRDEM-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258735970 991685752 /nfs/dbraw/zinc/68/57/52/991685752.db2.gz GZVOXECAGSRDEM-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](CCC)CC2)C1 ZINC001258775627 991735603 /nfs/dbraw/zinc/73/56/03/991735603.db2.gz WRHLAWZMCZHPNL-CQSZACIVSA-N 2 1 234.387 2.206 20 30 BEEDMP C#C[C@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC001574504251 992872096 /nfs/dbraw/zinc/87/20/96/992872096.db2.gz FGASVXMJGPAMLM-AWEZNQCLSA-N 2 1 222.376 2.383 20 30 BEEDMP C=C(C)C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001574836318 992923489 /nfs/dbraw/zinc/92/34/89/992923489.db2.gz MJFSYWNQUFCYKT-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP C=C(C)C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001574836318 992923498 /nfs/dbraw/zinc/92/34/98/992923498.db2.gz MJFSYWNQUFCYKT-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP CCCCCCCC[NH+]1CC(C[NH2+]C)C1 ZINC000382286935 993447016 /nfs/dbraw/zinc/44/70/16/993447016.db2.gz LRFPZSZREKGMMF-UHFFFAOYSA-N 2 1 212.381 2.498 20 30 BEEDMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@H](CC#N)C1 ZINC001577051606 993489346 /nfs/dbraw/zinc/48/93/46/993489346.db2.gz VWFMDHVBZNSJOO-CYBMUJFWSA-N 2 1 237.391 2.377 20 30 BEEDMP C[C@@H](CCC#N)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000602444004 349545168 /nfs/dbraw/zinc/54/51/68/349545168.db2.gz IJKDCMMRGHVXGX-UONOGXRCSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000602444004 349545172 /nfs/dbraw/zinc/54/51/72/349545172.db2.gz IJKDCMMRGHVXGX-UONOGXRCSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000602444004 349545175 /nfs/dbraw/zinc/54/51/75/349545175.db2.gz IJKDCMMRGHVXGX-UONOGXRCSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602520229 349575106 /nfs/dbraw/zinc/57/51/06/349575106.db2.gz LLZARYKDBSCVQU-MOKVOYLWSA-N 2 1 235.375 2.000 20 30 BEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602525950 349577328 /nfs/dbraw/zinc/57/73/28/349577328.db2.gz UHRLDWUWRMZREA-KGLIPLIRSA-N 2 1 237.391 2.248 20 30 BEEDMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528180 349578188 /nfs/dbraw/zinc/57/81/88/349578188.db2.gz BYDFSYAKTPKDRB-HSBZDZAISA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528180 349578191 /nfs/dbraw/zinc/57/81/91/349578191.db2.gz BYDFSYAKTPKDRB-HSBZDZAISA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528182 349578213 /nfs/dbraw/zinc/57/82/13/349578213.db2.gz BYDFSYAKTPKDRB-IYXRBSQSSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528182 349578215 /nfs/dbraw/zinc/57/82/15/349578215.db2.gz BYDFSYAKTPKDRB-IYXRBSQSSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCCC1 ZINC000602507238 349583696 /nfs/dbraw/zinc/58/36/96/349583696.db2.gz DOAPGHGKMUNYOO-UONOGXRCSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000602513744 349585786 /nfs/dbraw/zinc/58/57/86/349585786.db2.gz HZUBSLOPYBZKFL-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000602513744 349585789 /nfs/dbraw/zinc/58/57/89/349585789.db2.gz HZUBSLOPYBZKFL-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCC1CC1 ZINC000378789320 346836354 /nfs/dbraw/zinc/83/63/54/346836354.db2.gz LOMLRSQTWSVQKK-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCC1CC1 ZINC000378789320 346836359 /nfs/dbraw/zinc/83/63/59/346836359.db2.gz LOMLRSQTWSVQKK-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602533570 349601685 /nfs/dbraw/zinc/60/16/85/349601685.db2.gz OLCUATFXFIWVQJ-OLZOCXBDSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602533570 349601689 /nfs/dbraw/zinc/60/16/89/349601689.db2.gz OLCUATFXFIWVQJ-OLZOCXBDSA-N 2 1 225.380 2.246 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602684585 349676242 /nfs/dbraw/zinc/67/62/42/349676242.db2.gz ZXIHFQHHQKKMSC-FUDCBSFHSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000602687937 349678318 /nfs/dbraw/zinc/67/83/18/349678318.db2.gz RBRKIGOYWQYYDK-KGLIPLIRSA-N 2 1 237.391 2.248 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000602722535 349713721 /nfs/dbraw/zinc/71/37/21/349713721.db2.gz GDIGGSPNCZJBTL-KGLIPLIRSA-N 2 1 237.391 2.248 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796081 349737928 /nfs/dbraw/zinc/73/79/28/349737928.db2.gz VGDLAPRSYUXPIJ-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796081 349737929 /nfs/dbraw/zinc/73/79/29/349737929.db2.gz VGDLAPRSYUXPIJ-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796081 349737931 /nfs/dbraw/zinc/73/79/31/349737931.db2.gz VGDLAPRSYUXPIJ-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[N@H+](C)C[C@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602779831 349746111 /nfs/dbraw/zinc/74/61/11/349746111.db2.gz SIDCVNFFMOUWPC-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2(CC#N)CC2)C1 ZINC000602779831 349746113 /nfs/dbraw/zinc/74/61/13/349746113.db2.gz SIDCVNFFMOUWPC-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602779831 349746116 /nfs/dbraw/zinc/74/61/16/349746116.db2.gz SIDCVNFFMOUWPC-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602779831 349746119 /nfs/dbraw/zinc/74/61/19/349746119.db2.gz SIDCVNFFMOUWPC-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878411 349790379 /nfs/dbraw/zinc/79/03/79/349790379.db2.gz SAVDDPWIBUQUJI-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP C=C(C)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336436636 136276435 /nfs/dbraw/zinc/27/64/35/136276435.db2.gz NPJBRAWFFSYJFF-UHFFFAOYSA-N 2 1 208.349 2.123 20 30 BEEDMP C=C(C)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336436636 136276436 /nfs/dbraw/zinc/27/64/36/136276436.db2.gz NPJBRAWFFSYJFF-UHFFFAOYSA-N 2 1 208.349 2.123 20 30 BEEDMP CN(CC1(CC#N)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394163596 344032512 /nfs/dbraw/zinc/03/25/12/344032512.db2.gz JWBPWDOTTFVAHO-PBWFPOADSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@H+](CC1(CC#N)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394163596 344032513 /nfs/dbraw/zinc/03/25/13/344032513.db2.gz JWBPWDOTTFVAHO-PBWFPOADSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+](CC1(CC#N)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394163596 344032514 /nfs/dbraw/zinc/03/25/14/344032514.db2.gz JWBPWDOTTFVAHO-PBWFPOADSA-N 2 1 247.386 2.237 20 30 BEEDMP C=CC[NH2+]CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000053385731 1172028789 /nfs/dbraw/zinc/02/87/89/1172028789.db2.gz XGHSLNLAAUTWMT-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[NH2+]CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000053385731 1172028795 /nfs/dbraw/zinc/02/87/95/1172028795.db2.gz XGHSLNLAAUTWMT-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1(C#N)CC1 ZINC000603113172 349871142 /nfs/dbraw/zinc/87/11/42/349871142.db2.gz YYWMIKSLLUUYPV-UHFFFAOYSA-N 2 1 249.402 2.488 20 30 BEEDMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](CC#N)C1 ZINC000260227230 344738492 /nfs/dbraw/zinc/73/84/92/344738492.db2.gz WGMOWCAFQJITSU-CABCVRRESA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CC#N)C1 ZINC000260227230 344738494 /nfs/dbraw/zinc/73/84/94/344738494.db2.gz WGMOWCAFQJITSU-CABCVRRESA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000260227230 344738498 /nfs/dbraw/zinc/73/84/98/344738498.db2.gz WGMOWCAFQJITSU-CABCVRRESA-N 2 1 249.402 2.486 20 30 BEEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000589344022 346691071 /nfs/dbraw/zinc/69/10/71/346691071.db2.gz MREPTWJNWPDLHM-MELADBBJSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000589344022 346691073 /nfs/dbraw/zinc/69/10/73/346691073.db2.gz MREPTWJNWPDLHM-MELADBBJSA-N 2 1 237.391 2.387 20 30 BEEDMP C[C@H]([NH3+])C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000591581370 347677558 /nfs/dbraw/zinc/67/75/58/347677558.db2.gz RWKDMQGJZGRBCI-XHDPSFHLSA-N 2 1 243.354 2.263 20 30 BEEDMP C[C@@]1(C[NH2+]CC2(C#N)CCCCC2)CC[NH2+]C1 ZINC000594738911 348110400 /nfs/dbraw/zinc/11/04/00/348110400.db2.gz JOZLKTFQLDOQOV-CYBMUJFWSA-N 2 1 235.375 2.050 20 30 BEEDMP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595059148 348183954 /nfs/dbraw/zinc/18/39/54/348183954.db2.gz LTCBIEMJAYENCF-QWHCGFSZSA-N 2 1 242.432 2.368 20 30 BEEDMP C=CCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000273461694 166300166 /nfs/dbraw/zinc/30/01/66/166300166.db2.gz IFRDOBHHWFIOOZ-LBPRGKRZSA-N 2 1 208.349 2.193 20 30 BEEDMP C=CCCSCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000596650558 348606046 /nfs/dbraw/zinc/60/60/46/348606046.db2.gz LNWAKKARSDGCPP-RYUDHWBXSA-N 2 1 228.405 2.026 20 30 BEEDMP C=CCCSCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000596650559 348606385 /nfs/dbraw/zinc/60/63/85/348606385.db2.gz LNWAKKARSDGCPP-VXGBXAGGSA-N 2 1 228.405 2.026 20 30 BEEDMP CC[N@@H+]1CC[C@H]([NH+](C)CCCC#N)C[C@@H]1C ZINC000336669151 350433129 /nfs/dbraw/zinc/43/31/29/350433129.db2.gz HVLJENHNCWLYBG-STQMWFEESA-N 2 1 223.364 2.095 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC#N)C[C@@H]1C ZINC000336669151 350433132 /nfs/dbraw/zinc/43/31/32/350433132.db2.gz HVLJENHNCWLYBG-STQMWFEESA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC#N)C[C@@H]1C ZINC000336669151 350433137 /nfs/dbraw/zinc/43/31/37/350433137.db2.gz HVLJENHNCWLYBG-STQMWFEESA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC#N)C[C@@H]1C ZINC000336669151 350433138 /nfs/dbraw/zinc/43/31/38/350433138.db2.gz HVLJENHNCWLYBG-STQMWFEESA-N 2 1 223.364 2.095 20 30 BEEDMP CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000122318809 362974259 /nfs/dbraw/zinc/97/42/59/362974259.db2.gz JWZFJTDYJXVGHT-GJZGRUSLSA-N 2 1 243.354 2.117 20 30 BEEDMP C=CCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CC2)c1 ZINC000414792751 351772203 /nfs/dbraw/zinc/77/22/03/351772203.db2.gz CTVRZJRPCDNBRM-HNNXBMFYSA-N 2 1 246.354 2.078 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336734207 351887574 /nfs/dbraw/zinc/88/75/74/351887574.db2.gz MZYUYACERJVOIO-AGIUHOORSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336734207 351887578 /nfs/dbraw/zinc/88/75/78/351887578.db2.gz MZYUYACERJVOIO-AGIUHOORSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](CCC)OC)CC1 ZINC000638524682 352356560 /nfs/dbraw/zinc/35/65/60/352356560.db2.gz QVSXJFREHDRYEZ-AWEZNQCLSA-N 2 1 240.391 2.042 20 30 BEEDMP C[C@H](CCC#N)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000411298214 191175811 /nfs/dbraw/zinc/17/58/11/191175811.db2.gz JCMBMLAFCIHECA-UKRRQHHQSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000411298214 191175812 /nfs/dbraw/zinc/17/58/12/191175812.db2.gz JCMBMLAFCIHECA-UKRRQHHQSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000411298214 191175815 /nfs/dbraw/zinc/17/58/15/191175815.db2.gz JCMBMLAFCIHECA-UKRRQHHQSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000411298214 191175817 /nfs/dbraw/zinc/17/58/17/191175817.db2.gz JCMBMLAFCIHECA-UKRRQHHQSA-N 2 1 249.402 2.342 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252729604 353302762 /nfs/dbraw/zinc/30/27/62/353302762.db2.gz HKOXDDPGHANIDV-OLZOCXBDSA-N 2 1 240.416 2.122 20 30 BEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000070148638 181103145 /nfs/dbraw/zinc/10/31/45/181103145.db2.gz YQFOSLSYHCBPSL-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP C[C@@H](CCC#N)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351488723 355999853 /nfs/dbraw/zinc/99/98/53/355999853.db2.gz ASTPFNSJUVHXLJ-KBPBESRZSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351488723 355999857 /nfs/dbraw/zinc/99/98/57/355999857.db2.gz ASTPFNSJUVHXLJ-KBPBESRZSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@@H](CCC#N)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351488723 355999859 /nfs/dbraw/zinc/99/98/59/355999859.db2.gz ASTPFNSJUVHXLJ-KBPBESRZSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@@H](CCC#N)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000351488723 355999861 /nfs/dbraw/zinc/99/98/61/355999861.db2.gz ASTPFNSJUVHXLJ-KBPBESRZSA-N 2 1 237.391 2.485 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320305 192196064 /nfs/dbraw/zinc/19/60/64/192196064.db2.gz BDSSQDGZMJVCAB-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756889 356663877 /nfs/dbraw/zinc/66/38/77/356663877.db2.gz DOUHVYPXNVVQHO-CQSZACIVSA-N 2 1 234.387 2.206 20 30 BEEDMP C[N@@H+]1CCCC12CC[NH+](CCCCC#N)CC2 ZINC000369382367 134222403 /nfs/dbraw/zinc/22/24/03/134222403.db2.gz ALUCGYXGFONXOF-UHFFFAOYSA-N 2 1 235.375 2.240 20 30 BEEDMP C[N@H+]1CCCC12CC[NH+](CCCCC#N)CC2 ZINC000369382367 134222404 /nfs/dbraw/zinc/22/24/04/134222404.db2.gz ALUCGYXGFONXOF-UHFFFAOYSA-N 2 1 235.375 2.240 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)CC#N ZINC000120522031 134230027 /nfs/dbraw/zinc/23/00/27/134230027.db2.gz LOLTZHYQFYLFTF-LBPRGKRZSA-N 2 1 234.347 2.206 20 30 BEEDMP Cc1nccn1CCCC[N@H+](C)[C@@H](C)CC#N ZINC000120522031 134230025 /nfs/dbraw/zinc/23/00/25/134230025.db2.gz LOLTZHYQFYLFTF-LBPRGKRZSA-N 2 1 234.347 2.206 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000583734114 357930651 /nfs/dbraw/zinc/93/06/51/357930651.db2.gz WKLIOAXZAFSTAD-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000126766852 358554462 /nfs/dbraw/zinc/55/44/62/358554462.db2.gz ACLJRUQDJIWFTL-QWHCGFSZSA-N 2 1 210.365 2.273 20 30 BEEDMP N#CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834454 359225172 /nfs/dbraw/zinc/22/51/72/359225172.db2.gz BWIHQWFIPKNBNR-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP N#CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834454 359225176 /nfs/dbraw/zinc/22/51/76/359225176.db2.gz BWIHQWFIPKNBNR-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248158521 359255589 /nfs/dbraw/zinc/25/55/89/359255589.db2.gz RSMQSPCFERATPQ-NWDGAFQWSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248158521 359255593 /nfs/dbraw/zinc/25/55/93/359255593.db2.gz RSMQSPCFERATPQ-NWDGAFQWSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248158521 359255597 /nfs/dbraw/zinc/25/55/97/359255597.db2.gz RSMQSPCFERATPQ-NWDGAFQWSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248158521 359255601 /nfs/dbraw/zinc/25/56/01/359255601.db2.gz RSMQSPCFERATPQ-NWDGAFQWSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(C)CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309021701 491142734 /nfs/dbraw/zinc/14/27/34/491142734.db2.gz XOZFKXJGCPBADQ-CYBMUJFWSA-N 2 1 210.365 2.415 20 30 BEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309021701 491142735 /nfs/dbraw/zinc/14/27/35/491142735.db2.gz XOZFKXJGCPBADQ-CYBMUJFWSA-N 2 1 210.365 2.415 20 30 BEEDMP N#C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000429726987 201129843 /nfs/dbraw/zinc/12/98/43/201129843.db2.gz RKXHTYXHBIPXNU-ZFWWWQNUSA-N 2 1 247.386 2.239 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000629547132 361430974 /nfs/dbraw/zinc/43/09/74/361430974.db2.gz FEDAMKGPGWCYTA-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000629650616 361548038 /nfs/dbraw/zinc/54/80/38/361548038.db2.gz YDLNJCSBXHPCRA-MCIONIFRSA-N 2 1 222.376 2.273 20 30 BEEDMP Cc1cc(CNCC[NH+]2CCCC2)ccc1C#N ZINC000443965384 193032284 /nfs/dbraw/zinc/03/22/84/193032284.db2.gz RQIFRWYQBIDHFW-UHFFFAOYSA-N 2 1 243.354 2.052 20 30 BEEDMP C[C@H]1C[C@@H](NCC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067977 369443440 /nfs/dbraw/zinc/44/34/40/369443440.db2.gz CBVZWVOIJJDXGI-STQMWFEESA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1C#N ZINC000600712542 369560091 /nfs/dbraw/zinc/56/00/91/369560091.db2.gz XZYLPJFFHDQKGI-CQSZACIVSA-N 2 1 245.370 2.330 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886426 372682521 /nfs/dbraw/zinc/68/25/21/372682521.db2.gz HBCAXGBUHCIDRL-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886426 372682527 /nfs/dbraw/zinc/68/25/27/372682527.db2.gz HBCAXGBUHCIDRL-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000424381301 206039123 /nfs/dbraw/zinc/03/91/23/206039123.db2.gz YIUKZEABMBVAJY-KCPJHIHWSA-N 2 1 243.354 2.479 20 30 BEEDMP C=C(C)C[NH+](C)CCOCC[N@H+](C)CC(=C)C ZINC000181262402 134334327 /nfs/dbraw/zinc/33/43/27/134334327.db2.gz SGXUPZOQGQQFIJ-UHFFFAOYSA-N 2 1 240.391 2.019 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000152946962 384077287 /nfs/dbraw/zinc/07/72/87/384077287.db2.gz LBSLAOVWVCBDFC-ZDUSSCGKSA-N 2 1 240.416 2.122 20 30 BEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000070148637 384393105 /nfs/dbraw/zinc/39/31/05/384393105.db2.gz YQFOSLSYHCBPSL-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423280321 384531149 /nfs/dbraw/zinc/53/11/49/384531149.db2.gz UMLYMJOYIMLKSD-MNOVXSKESA-N 2 1 249.333 2.203 20 30 BEEDMP C=C(C)COCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000163522724 385248662 /nfs/dbraw/zinc/24/86/62/385248662.db2.gz DWVZGSOPNWOLMF-CABCVRRESA-N 2 1 246.354 2.314 20 30 BEEDMP C=CCOc1cccc(C[NH2+]C[C@@H]([NH3+])C2CC2)c1 ZINC000414888550 386097617 /nfs/dbraw/zinc/09/76/17/386097617.db2.gz FGQVBJJTRZTTMA-OAHLLOKOSA-N 2 1 246.354 2.078 20 30 BEEDMP C=C[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414757856 386405253 /nfs/dbraw/zinc/40/52/53/386405253.db2.gz LWLUXHYNQADEFE-OLZOCXBDSA-N 2 1 210.365 2.400 20 30 BEEDMP C=C[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414757856 386405259 /nfs/dbraw/zinc/40/52/59/386405259.db2.gz LWLUXHYNQADEFE-OLZOCXBDSA-N 2 1 210.365 2.400 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415069400 386552776 /nfs/dbraw/zinc/55/27/76/386552776.db2.gz SLSSGTDNMLNUKO-WCQYABFASA-N 2 1 210.365 2.448 20 30 BEEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975492 386564729 /nfs/dbraw/zinc/56/47/29/386564729.db2.gz BASDXGHJPFXNOW-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP N#C[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000185710889 386630277 /nfs/dbraw/zinc/63/02/77/386630277.db2.gz QIKNTSCQQHRWOM-GXTWGEPZSA-N 2 1 247.386 2.285 20 30 BEEDMP C=CCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643502194 387357013 /nfs/dbraw/zinc/35/70/13/387357013.db2.gz ZNZWNVAPTZSMCP-KGLIPLIRSA-N 2 1 222.376 2.463 20 30 BEEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423503975 387342828 /nfs/dbraw/zinc/34/28/28/387342828.db2.gz NGFJVHHNRQIVRN-BNOWGMLFSA-N 2 1 235.375 2.176 20 30 BEEDMP C=CCC[C@H](CCC)[NH2+]CC[NH2+]C1CC1 ZINC000643506325 387457439 /nfs/dbraw/zinc/45/74/39/387457439.db2.gz RZTFEVBNAJHAML-LBPRGKRZSA-N 2 1 210.365 2.463 20 30 BEEDMP C=C(C)CC[N@@H+](C)CCCn1ccnc1 ZINC000274805949 387494826 /nfs/dbraw/zinc/49/48/26/387494826.db2.gz GSHWLEBHHCJKJX-UHFFFAOYSA-N 2 1 207.321 2.171 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000328002762 387634329 /nfs/dbraw/zinc/63/43/29/387634329.db2.gz OHBQIRMLVAJAKV-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000328002762 387634334 /nfs/dbraw/zinc/63/43/34/387634334.db2.gz OHBQIRMLVAJAKV-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999863 387804231 /nfs/dbraw/zinc/80/42/31/387804231.db2.gz TWGLVWKSSWQFGE-DOMZBBRYSA-N 2 1 243.354 2.229 20 30 BEEDMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000442709967 387826786 /nfs/dbraw/zinc/82/67/86/387826786.db2.gz BMPZJHOQZIZQFE-ZNMIVQPWSA-N 2 1 249.402 2.389 20 30 BEEDMP CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000442714872 387829446 /nfs/dbraw/zinc/82/94/46/387829446.db2.gz LVIWWDGXTQISRS-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP N#CCCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423027035 387842760 /nfs/dbraw/zinc/84/27/60/387842760.db2.gz CRZKSWRWQYHBAM-QWHCGFSZSA-N 2 1 215.300 2.025 20 30 BEEDMP CCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193621747 387858428 /nfs/dbraw/zinc/85/84/28/387858428.db2.gz YZKTVIFAQKAEIO-OKILXGFUSA-N 2 1 224.392 2.450 20 30 BEEDMP CCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193621747 387858433 /nfs/dbraw/zinc/85/84/33/387858433.db2.gz YZKTVIFAQKAEIO-OKILXGFUSA-N 2 1 224.392 2.450 20 30 BEEDMP C=CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157979792 387886679 /nfs/dbraw/zinc/88/66/79/387886679.db2.gz KOJSDXYFYMKSSY-QWHCGFSZSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423097770 387887532 /nfs/dbraw/zinc/88/75/32/387887532.db2.gz BJHINNLQKLYNPJ-HUUCEWRRSA-N 2 1 246.354 2.221 20 30 BEEDMP C=CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423192940 387977757 /nfs/dbraw/zinc/97/77/57/387977757.db2.gz QIODBAYCVPYMDL-STQMWFEESA-N 2 1 208.349 2.073 20 30 BEEDMP C=CCC[C@@H]([NH2+]CCC[NH2+]C)c1ccco1 ZINC000423200940 387987162 /nfs/dbraw/zinc/98/71/62/387987162.db2.gz NNFUKXNJXOVICP-GFCCVEGCSA-N 2 1 222.332 2.486 20 30 BEEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447536399 388076633 /nfs/dbraw/zinc/07/66/33/388076633.db2.gz MZNGMLXOKHKUKX-MELADBBJSA-N 2 1 237.391 2.389 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000447539202 388077376 /nfs/dbraw/zinc/07/73/76/388077376.db2.gz FUQCGXBMLLHQOB-LXTVHRRPSA-N 2 1 247.386 2.285 20 30 BEEDMP C[NH+](C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449092431 388141154 /nfs/dbraw/zinc/14/11/54/388141154.db2.gz SMCLNZLCSADFKA-SLTAFYQDSA-N 2 1 249.402 2.389 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000449446974 388208528 /nfs/dbraw/zinc/20/85/28/388208528.db2.gz VBXZIDDJEQNFSP-ZQDZILKHSA-N 2 1 249.402 2.389 20 30 BEEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000449473310 388213685 /nfs/dbraw/zinc/21/36/85/388213685.db2.gz HPHVJUDNMCAKRI-OLZOCXBDSA-N 2 1 210.365 2.273 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000449473309 388213850 /nfs/dbraw/zinc/21/38/50/388213850.db2.gz HPHVJUDNMCAKRI-CHWSQXEVSA-N 2 1 210.365 2.273 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccncc1 ZINC000491438964 388294987 /nfs/dbraw/zinc/29/49/87/388294987.db2.gz HELIBCHQLGUMGK-OAHLLOKOSA-N 2 1 245.370 2.077 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccncc1 ZINC000491438964 388294988 /nfs/dbraw/zinc/29/49/88/388294988.db2.gz HELIBCHQLGUMGK-OAHLLOKOSA-N 2 1 245.370 2.077 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000491621865 388305446 /nfs/dbraw/zinc/30/54/46/388305446.db2.gz GZFUISUACPHJOT-LSDHHAIUSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000491621865 388305447 /nfs/dbraw/zinc/30/54/47/388305447.db2.gz GZFUISUACPHJOT-LSDHHAIUSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000491621859 388305475 /nfs/dbraw/zinc/30/54/75/388305475.db2.gz GZFUISUACPHJOT-GJZGRUSLSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000491621859 388305476 /nfs/dbraw/zinc/30/54/76/388305476.db2.gz GZFUISUACPHJOT-GJZGRUSLSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC(C)(C)[N@@H+](C)CCC[NH+](CC)CC ZINC000491700502 388312699 /nfs/dbraw/zinc/31/26/99/388312699.db2.gz VMMLQKUJTHTLQP-UHFFFAOYSA-N 2 1 210.365 2.062 20 30 BEEDMP C#CC(C)(C)[N@H+](C)CCC[NH+](CC)CC ZINC000491700502 388312700 /nfs/dbraw/zinc/31/27/00/388312700.db2.gz VMMLQKUJTHTLQP-UHFFFAOYSA-N 2 1 210.365 2.062 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000328301643 388594600 /nfs/dbraw/zinc/59/46/00/388594600.db2.gz URFJBFKPXSGRLJ-ZIAGYGMSSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000328301643 388594602 /nfs/dbraw/zinc/59/46/02/388594602.db2.gz URFJBFKPXSGRLJ-ZIAGYGMSSA-N 2 1 222.376 2.110 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000387442374 388581680 /nfs/dbraw/zinc/58/16/80/388581680.db2.gz PSAKXLGUERTYJB-JHJVBQTASA-N 2 1 210.365 2.271 20 30 BEEDMP N#Cc1csc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000093492189 388742351 /nfs/dbraw/zinc/74/23/51/388742351.db2.gz IUUZGXFSORZTCH-UHFFFAOYSA-N 2 1 249.383 2.195 20 30 BEEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352015020 533485031 /nfs/dbraw/zinc/48/50/31/533485031.db2.gz OWDBFANGQRSMQK-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352015020 533485035 /nfs/dbraw/zinc/48/50/35/533485035.db2.gz OWDBFANGQRSMQK-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000352015020 533485041 /nfs/dbraw/zinc/48/50/41/533485041.db2.gz OWDBFANGQRSMQK-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000352015020 533485045 /nfs/dbraw/zinc/48/50/45/533485045.db2.gz OWDBFANGQRSMQK-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000352045025 533485246 /nfs/dbraw/zinc/48/52/46/533485246.db2.gz ILJLBISFJDHLCS-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)CC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000352045025 533485249 /nfs/dbraw/zinc/48/52/49/533485249.db2.gz ILJLBISFJDHLCS-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](C)CC#CC[N@H+](C)CC(=C)C ZINC000341916463 533494766 /nfs/dbraw/zinc/49/47/66/533494766.db2.gz XYAGMCFSKCEWJE-UHFFFAOYSA-N 2 1 220.360 2.006 20 30 BEEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352015023 134035705 /nfs/dbraw/zinc/03/57/05/134035705.db2.gz OWDBFANGQRSMQK-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352015023 134035706 /nfs/dbraw/zinc/03/57/06/134035706.db2.gz OWDBFANGQRSMQK-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352015023 134035707 /nfs/dbraw/zinc/03/57/07/134035707.db2.gz OWDBFANGQRSMQK-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352015023 134035708 /nfs/dbraw/zinc/03/57/08/134035708.db2.gz OWDBFANGQRSMQK-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@H](C)C#N ZINC000120462483 134229643 /nfs/dbraw/zinc/22/96/43/134229643.db2.gz UFTVNPUDOQWTJO-CYBMUJFWSA-N 2 1 248.374 2.453 20 30 BEEDMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@H](C)C#N ZINC000120462483 134229644 /nfs/dbraw/zinc/22/96/44/134229644.db2.gz UFTVNPUDOQWTJO-CYBMUJFWSA-N 2 1 248.374 2.453 20 30 BEEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169012258 134248778 /nfs/dbraw/zinc/24/87/78/134248778.db2.gz AKJNZNIZLQLRKA-QWHCGFSZSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CCSCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000309303594 134390217 /nfs/dbraw/zinc/39/02/17/134390217.db2.gz ZBVVINGRDAPNPH-UHFFFAOYSA-N 2 1 240.416 2.122 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)CC=C ZINC000294869055 135378190 /nfs/dbraw/zinc/37/81/90/135378190.db2.gz COWNPCVWQFDUQF-ZIAGYGMSSA-N 2 1 222.376 2.132 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)CC=C ZINC000294869055 135378192 /nfs/dbraw/zinc/37/81/92/135378192.db2.gz COWNPCVWQFDUQF-ZIAGYGMSSA-N 2 1 222.376 2.132 20 30 BEEDMP C#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000157171291 166191916 /nfs/dbraw/zinc/19/19/16/166191916.db2.gz BRFUXSUZMVTZNV-HOCLYGCPSA-N 2 1 242.366 2.120 20 30 BEEDMP C#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000157171291 166191919 /nfs/dbraw/zinc/19/19/19/166191919.db2.gz BRFUXSUZMVTZNV-HOCLYGCPSA-N 2 1 242.366 2.120 20 30 BEEDMP C=CC[N@H+](CCc1ccco1)CCn1ccnc1 ZINC000272338354 166344604 /nfs/dbraw/zinc/34/46/04/166344604.db2.gz YDBLFHAOBFJUPB-UHFFFAOYSA-N 2 1 245.326 2.207 20 30 BEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000656787931 411368055 /nfs/dbraw/zinc/36/80/55/411368055.db2.gz ZQMNEALGFZNYCT-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660976 411614308 /nfs/dbraw/zinc/61/43/08/411614308.db2.gz YAPZGNSKLVITPB-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660976 411614309 /nfs/dbraw/zinc/61/43/09/411614309.db2.gz YAPZGNSKLVITPB-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660976 411614311 /nfs/dbraw/zinc/61/43/11/411614311.db2.gz YAPZGNSKLVITPB-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681758313 487856677 /nfs/dbraw/zinc/85/66/77/487856677.db2.gz OMPOLDOZHYGIGR-UHFFFAOYSA-N 2 1 248.370 2.245 20 30 BEEDMP C=CC[NH+](C)CCCCC[N@H+](C)CC=C ZINC000121250920 324006426 /nfs/dbraw/zinc/00/64/26/324006426.db2.gz KATUYLXVQBZSKX-UHFFFAOYSA-N 2 1 210.365 2.392 20 30 BEEDMP C=CCCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000568248726 326328327 /nfs/dbraw/zinc/32/83/27/326328327.db2.gz YRSLAEGGJHWARO-STQMWFEESA-N 2 1 210.365 2.320 20 30 BEEDMP C=CCCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000568248725 326328604 /nfs/dbraw/zinc/32/86/04/326328604.db2.gz YRSLAEGGJHWARO-QWHCGFSZSA-N 2 1 210.365 2.320 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000677479057 488048143 /nfs/dbraw/zinc/04/81/43/488048143.db2.gz IWKMVSXWFMFQBB-LBPRGKRZSA-N 2 1 231.343 2.391 20 30 BEEDMP C=CC[C@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000652190235 490167453 /nfs/dbraw/zinc/16/74/53/490167453.db2.gz GYIQMHPEYKGFQB-STQMWFEESA-N 2 1 233.359 2.297 20 30 BEEDMP C=CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000169112768 534349534 /nfs/dbraw/zinc/34/95/34/534349534.db2.gz SUELRAXFNPZVLI-WODVXLOZSA-N 2 1 208.349 2.166 20 30 BEEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357737697 534711306 /nfs/dbraw/zinc/71/13/06/534711306.db2.gz FMZIFDCCAZMYCL-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357737697 534711308 /nfs/dbraw/zinc/71/13/08/534711308.db2.gz FMZIFDCCAZMYCL-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357737697 534711311 /nfs/dbraw/zinc/71/13/11/534711311.db2.gz FMZIFDCCAZMYCL-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357737697 534711314 /nfs/dbraw/zinc/71/13/14/534711314.db2.gz FMZIFDCCAZMYCL-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCC#N)C2)C1 ZINC000339436899 536395537 /nfs/dbraw/zinc/39/55/37/536395537.db2.gz HMPHSDVVUCCKDT-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCC#N)C2)C1 ZINC000339436899 536395538 /nfs/dbraw/zinc/39/55/38/536395538.db2.gz HMPHSDVVUCCKDT-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCC#N)C2)C1 ZINC000339436899 536395540 /nfs/dbraw/zinc/39/55/40/536395540.db2.gz HMPHSDVVUCCKDT-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248746049 534958263 /nfs/dbraw/zinc/95/82/63/534958263.db2.gz FLWGUWCPVISEBM-ZNMIVQPWSA-N 2 1 249.402 2.390 20 30 BEEDMP CC(C)(CCC#N)C[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353683432 534998791 /nfs/dbraw/zinc/99/87/91/534998791.db2.gz FNJUVSNYQUYODS-OLZOCXBDSA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)(CCC#N)C[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353683432 534998797 /nfs/dbraw/zinc/99/87/97/534998797.db2.gz FNJUVSNYQUYODS-OLZOCXBDSA-N 2 1 235.375 2.000 20 30 BEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000179639360 535943622 /nfs/dbraw/zinc/94/36/22/535943622.db2.gz CUNCCEKWBKWOQK-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000336407052 536343464 /nfs/dbraw/zinc/34/34/64/536343464.db2.gz LXLHRQYDVLYHBR-UHFFFAOYSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CC[N@@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000891673760 582709261 /nfs/dbraw/zinc/70/92/61/582709261.db2.gz BZBLJQVAQJUOFH-UHFFFAOYSA-N 2 1 210.365 2.225 20 30 BEEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858150396 588935708 /nfs/dbraw/zinc/93/57/08/588935708.db2.gz URXWEQCOLIIMHM-ZDUSSCGKSA-N 2 1 222.376 2.252 20 30 BEEDMP C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC000903459753 584765727 /nfs/dbraw/zinc/76/57/27/584765727.db2.gz ZAXWULDATGQRFS-VXGQWTEUSA-N 2 1 249.402 2.233 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000903449815 584771218 /nfs/dbraw/zinc/77/12/18/584771218.db2.gz HHVVYMRCNMTWES-SHARSMKWSA-N 2 1 249.402 2.377 20 30 BEEDMP N#C[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000903564202 584782348 /nfs/dbraw/zinc/78/23/48/584782348.db2.gz QGRDSEPAVSRFLN-AWEZNQCLSA-N 2 1 235.375 2.002 20 30 BEEDMP C[N@H+](Cc1cc(C#N)cs1)CC1CC[NH2+]CC1 ZINC000903707552 584791291 /nfs/dbraw/zinc/79/12/91/584791291.db2.gz CFVALKHTZPEWPB-UHFFFAOYSA-N 2 1 249.383 2.051 20 30 BEEDMP C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903774936 584798962 /nfs/dbraw/zinc/79/89/62/584798962.db2.gz CLCMGIGZKURBRB-ZIAGYGMSSA-N 2 1 249.402 2.377 20 30 BEEDMP C[C@@H]([NH3+])C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903774976 584799228 /nfs/dbraw/zinc/79/92/28/584799228.db2.gz DHTNQEDZDXKZDT-GFCCVEGCSA-N 2 1 223.364 2.130 20 30 BEEDMP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903779455 584799654 /nfs/dbraw/zinc/79/96/54/584799654.db2.gz ZXORAFZQQXTEFK-CHWSQXEVSA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCCCC1(C#N)CCC1 ZINC000903779455 584799655 /nfs/dbraw/zinc/79/96/55/584799655.db2.gz ZXORAFZQQXTEFK-CHWSQXEVSA-N 2 1 235.375 2.272 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3CC[C@]32CN)CC1 ZINC000903856586 584809313 /nfs/dbraw/zinc/80/93/13/584809313.db2.gz AEJSQFAWQPZAHM-WUCCLRPBSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000903856586 584809315 /nfs/dbraw/zinc/80/93/15/584809315.db2.gz AEJSQFAWQPZAHM-WUCCLRPBSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000903856586 584809317 /nfs/dbraw/zinc/80/93/17/584809317.db2.gz AEJSQFAWQPZAHM-WUCCLRPBSA-N 2 1 247.386 2.130 20 30 BEEDMP C=CCCC(C)(C)[NH2+]C[C@@H]([NH3+])CC(F)F ZINC000903933875 584824811 /nfs/dbraw/zinc/82/48/11/584824811.db2.gz XLUWQFPTENNXCS-VIFPVBQESA-N 2 1 220.307 2.303 20 30 BEEDMP C#CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000760830096 585398526 /nfs/dbraw/zinc/39/85/26/585398526.db2.gz JDJLXZGSTIKSPZ-UHFFFAOYSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000766901971 585510104 /nfs/dbraw/zinc/51/01/04/585510104.db2.gz BKQCNZWDQOWJEO-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000766903099 585510619 /nfs/dbraw/zinc/51/06/19/585510619.db2.gz PRRCHDQSDDEBCX-HNNXBMFYSA-N 2 1 234.387 2.350 20 30 BEEDMP C=C(Cl)CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815146274 586670353 /nfs/dbraw/zinc/67/03/53/586670353.db2.gz PJPGABGJOPWGOP-LBPRGKRZSA-N 2 1 228.767 2.157 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000815652030 586690349 /nfs/dbraw/zinc/69/03/49/586690349.db2.gz LSEYDYLRFKNCCK-KGLIPLIRSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000815652030 586690351 /nfs/dbraw/zinc/69/03/51/586690351.db2.gz LSEYDYLRFKNCCK-KGLIPLIRSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000815652838 586690876 /nfs/dbraw/zinc/69/08/76/586690876.db2.gz WJBOGWVQDJAYSJ-HUUCEWRRSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000815652838 586690877 /nfs/dbraw/zinc/69/08/77/586690877.db2.gz WJBOGWVQDJAYSJ-HUUCEWRRSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000817977237 586861718 /nfs/dbraw/zinc/86/17/18/586861718.db2.gz FIFILOHMBLJTHM-AVGNSLFASA-N 2 1 246.354 2.085 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@H](CC=C)C1 ZINC000846172606 588259312 /nfs/dbraw/zinc/25/93/12/588259312.db2.gz ZNYCSTGQTYAYLO-GJZGRUSLSA-N 2 1 234.387 2.276 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](CC=C)C1 ZINC000846172606 588259313 /nfs/dbraw/zinc/25/93/13/588259313.db2.gz ZNYCSTGQTYAYLO-GJZGRUSLSA-N 2 1 234.387 2.276 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850471761 588548830 /nfs/dbraw/zinc/54/88/30/588548830.db2.gz UIVDKKWZSTYILZ-QLFBSQMISA-N 2 1 248.414 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850471761 588548831 /nfs/dbraw/zinc/54/88/31/588548831.db2.gz UIVDKKWZSTYILZ-QLFBSQMISA-N 2 1 248.414 2.356 20 30 BEEDMP C#C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000862362716 589204039 /nfs/dbraw/zinc/20/40/39/589204039.db2.gz DKGZYIQHLHSJMZ-CHWSQXEVSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000862362716 589204041 /nfs/dbraw/zinc/20/40/41/589204041.db2.gz DKGZYIQHLHSJMZ-CHWSQXEVSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000872139239 589880403 /nfs/dbraw/zinc/88/04/03/589880403.db2.gz ANAQTMRIBXHAHI-FPCVCCKLSA-N 2 1 246.398 2.395 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000872140449 589880971 /nfs/dbraw/zinc/88/09/71/589880971.db2.gz NRIITCQQJZOZSE-ZQDZILKHSA-N 2 1 234.387 2.251 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000872140449 589880972 /nfs/dbraw/zinc/88/09/72/589880972.db2.gz NRIITCQQJZOZSE-ZQDZILKHSA-N 2 1 234.387 2.251 20 30 BEEDMP CC[N@H+](CC[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000876996629 590266901 /nfs/dbraw/zinc/26/69/01/590266901.db2.gz XKGXJWREQWAICM-UHFFFAOYSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@@H+](CC[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000876996629 590266903 /nfs/dbraw/zinc/26/69/03/590266903.db2.gz XKGXJWREQWAICM-UHFFFAOYSA-N 2 1 237.391 2.389 20 30 BEEDMP C#CCCCCCC[N@H+](C)CCC[NH+](C)C ZINC000877524533 590347028 /nfs/dbraw/zinc/34/70/28/590347028.db2.gz ZLXCMYBDKFTJAM-UHFFFAOYSA-N 2 1 224.392 2.454 20 30 BEEDMP C=CC[C@@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000878288616 590534650 /nfs/dbraw/zinc/53/46/50/590534650.db2.gz ZPAMZKOMYRFWHP-GFCCVEGCSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000878288616 590534651 /nfs/dbraw/zinc/53/46/51/590534651.db2.gz ZPAMZKOMYRFWHP-GFCCVEGCSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878288616 590534653 /nfs/dbraw/zinc/53/46/53/590534653.db2.gz ZPAMZKOMYRFWHP-GFCCVEGCSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878652627 590602504 /nfs/dbraw/zinc/60/25/04/590602504.db2.gz SKWIQHMMNYEJMO-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000878652627 590602506 /nfs/dbraw/zinc/60/25/06/590602506.db2.gz SKWIQHMMNYEJMO-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000878652627 590602508 /nfs/dbraw/zinc/60/25/08/590602508.db2.gz SKWIQHMMNYEJMO-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878652624 590602692 /nfs/dbraw/zinc/60/26/92/590602692.db2.gz SKWIQHMMNYEJMO-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000878652624 590602693 /nfs/dbraw/zinc/60/26/93/590602693.db2.gz SKWIQHMMNYEJMO-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000878652624 590602694 /nfs/dbraw/zinc/60/26/94/590602694.db2.gz SKWIQHMMNYEJMO-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259146 590978559 /nfs/dbraw/zinc/97/85/59/590978559.db2.gz NINPDQVRMVQHIK-ZDUSSCGKSA-N 2 1 231.343 2.168 20 30 BEEDMP C=C(C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262628 590980570 /nfs/dbraw/zinc/98/05/70/590980570.db2.gz QREVHBFDQDXVPD-ZDUSSCGKSA-N 2 1 231.343 2.168 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000883428854 591660990 /nfs/dbraw/zinc/66/09/90/591660990.db2.gz DTPMRDLSJROMJN-MELADBBJSA-N 2 1 222.376 2.273 20 30 BEEDMP C=CC[C@H]1CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000934460329 631853987 /nfs/dbraw/zinc/85/39/87/631853987.db2.gz LGESPNYPDQRIOA-STQMWFEESA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@H]1CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934460329 631853989 /nfs/dbraw/zinc/85/39/89/631853989.db2.gz LGESPNYPDQRIOA-STQMWFEESA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@H]1CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934460329 631853993 /nfs/dbraw/zinc/85/39/93/631853993.db2.gz LGESPNYPDQRIOA-STQMWFEESA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@@H]1CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000934460328 631855214 /nfs/dbraw/zinc/85/52/14/631855214.db2.gz LGESPNYPDQRIOA-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@@H]1CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934460328 631855216 /nfs/dbraw/zinc/85/52/16/631855216.db2.gz LGESPNYPDQRIOA-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000934460328 631855220 /nfs/dbraw/zinc/85/52/20/631855220.db2.gz LGESPNYPDQRIOA-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@@H]1CC[N@H+]1CCC[NH+](CC)CC ZINC000934461630 631857530 /nfs/dbraw/zinc/85/75/30/631857530.db2.gz NWXQYBFTYSTTDG-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+]1CCC[NH+](CC)CC ZINC000934461630 631857532 /nfs/dbraw/zinc/85/75/32/631857532.db2.gz NWXQYBFTYSTTDG-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C#C[C@@H]1CCCC[N@@H+]1CCCn1ccnc1C ZINC000934515088 631896666 /nfs/dbraw/zinc/89/66/66/631896666.db2.gz PAIURYACHPFFKD-CQSZACIVSA-N 2 1 231.343 2.069 20 30 BEEDMP C#C[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000934515088 631896669 /nfs/dbraw/zinc/89/66/69/631896669.db2.gz PAIURYACHPFFKD-CQSZACIVSA-N 2 1 231.343 2.069 20 30 BEEDMP C#C[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000934515088 631896672 /nfs/dbraw/zinc/89/66/72/631896672.db2.gz PAIURYACHPFFKD-CQSZACIVSA-N 2 1 231.343 2.069 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000328258340 633748241 /nfs/dbraw/zinc/74/82/41/633748241.db2.gz KUWVQHYNBWIKBL-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000328258340 633748244 /nfs/dbraw/zinc/74/82/44/633748244.db2.gz KUWVQHYNBWIKBL-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925692411 634325356 /nfs/dbraw/zinc/32/53/56/634325356.db2.gz KDKDPGSRHQBPRK-LBPRGKRZSA-N 2 1 235.375 2.191 20 30 BEEDMP C[NH+](C)C1(C)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000931353156 634370264 /nfs/dbraw/zinc/37/02/64/634370264.db2.gz ZYPJZZQHZABSEP-QWHCGFSZSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814998 635378761 /nfs/dbraw/zinc/37/87/61/635378761.db2.gz RTDXZPATVDGBQJ-VXGBXAGGSA-N 2 1 246.358 2.116 20 30 BEEDMP CCCCCCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250819710 635701282 /nfs/dbraw/zinc/70/12/82/635701282.db2.gz KTGAMBNLMBWENV-KBPBESRZSA-N 2 1 242.407 2.395 20 30 BEEDMP CCCCCCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250819710 635701288 /nfs/dbraw/zinc/70/12/88/635701288.db2.gz KTGAMBNLMBWENV-KBPBESRZSA-N 2 1 242.407 2.395 20 30 BEEDMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000932463719 640537266 /nfs/dbraw/zinc/53/72/66/640537266.db2.gz MHKNMSXCQYAEAZ-CYBMUJFWSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)C ZINC000932463719 640537273 /nfs/dbraw/zinc/53/72/73/640537273.db2.gz MHKNMSXCQYAEAZ-CYBMUJFWSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)C ZINC000932463719 640537278 /nfs/dbraw/zinc/53/72/78/640537278.db2.gz MHKNMSXCQYAEAZ-CYBMUJFWSA-N 2 1 222.376 2.204 20 30 BEEDMP C=CCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933734371 640756008 /nfs/dbraw/zinc/75/60/08/640756008.db2.gz RRMLKEMYBZGVCD-KGLIPLIRSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734371 640756012 /nfs/dbraw/zinc/75/60/12/640756012.db2.gz RRMLKEMYBZGVCD-KGLIPLIRSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933734371 640756015 /nfs/dbraw/zinc/75/60/15/640756015.db2.gz RRMLKEMYBZGVCD-KGLIPLIRSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CC[C@@H]1CC[N@H+]1CCCn1cc[nH+]c1C ZINC000934460731 641154426 /nfs/dbraw/zinc/15/44/26/641154426.db2.gz NYIRPCADPZSTRD-CYBMUJFWSA-N 2 1 219.332 2.232 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000934460731 641154433 /nfs/dbraw/zinc/15/44/33/641154433.db2.gz NYIRPCADPZSTRD-CYBMUJFWSA-N 2 1 219.332 2.232 20 30 BEEDMP C#CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000829804567 645111968 /nfs/dbraw/zinc/11/19/68/645111968.db2.gz JDWYXRUWZIZPFY-HNNXBMFYSA-N 2 1 245.370 2.317 20 30 BEEDMP C#CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000829804567 645111972 /nfs/dbraw/zinc/11/19/72/645111972.db2.gz JDWYXRUWZIZPFY-HNNXBMFYSA-N 2 1 245.370 2.317 20 30 BEEDMP C[C@@H]([NH3+])[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607460 646357908 /nfs/dbraw/zinc/35/79/08/646357908.db2.gz BNJLAUHLRNAUNO-OCCSQVGLSA-N 2 1 231.343 2.358 20 30 BEEDMP C=CCCSCC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000925703771 646427239 /nfs/dbraw/zinc/42/72/39/646427239.db2.gz DUDWKBICVBGQGT-LBPRGKRZSA-N 2 1 240.416 2.170 20 30 BEEDMP C=CCCSCC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000925703770 646427775 /nfs/dbraw/zinc/42/77/75/646427775.db2.gz DUDWKBICVBGQGT-GFCCVEGCSA-N 2 1 240.416 2.170 20 30 BEEDMP C=CCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925704624 646429726 /nfs/dbraw/zinc/42/97/26/646429726.db2.gz ICKLGTONHKKDEJ-AAEUAGOBSA-N 2 1 204.317 2.241 20 30 BEEDMP C=C1CCC(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000925835399 646503011 /nfs/dbraw/zinc/50/30/11/646503011.db2.gz OPQDUPGOPJEEIK-OCCSQVGLSA-N 2 1 222.376 2.320 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000926491014 646661135 /nfs/dbraw/zinc/66/11/35/646661135.db2.gz UDVGARLINLFMRI-CQSZACIVSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000926491014 646661137 /nfs/dbraw/zinc/66/11/37/646661137.db2.gz UDVGARLINLFMRI-CQSZACIVSA-N 2 1 236.403 2.356 20 30 BEEDMP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000705315296 712128705 /nfs/dbraw/zinc/12/87/05/712128705.db2.gz FXXSTPGGIHECTL-WTUNAVPPSA-N 2 1 234.387 2.249 20 30 BEEDMP C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903103691 710891247 /nfs/dbraw/zinc/89/12/47/710891247.db2.gz MRVFMGAOZIXRSH-LQDVMPOASA-N 2 1 232.371 2.147 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000385080702 711004745 /nfs/dbraw/zinc/00/47/45/711004745.db2.gz FGOZHZDCOKMFSC-ZDUSSCGKSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000385080702 711004749 /nfs/dbraw/zinc/00/47/49/711004749.db2.gz FGOZHZDCOKMFSC-ZDUSSCGKSA-N 2 1 224.392 2.356 20 30 BEEDMP C=C(Cl)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000306592186 711503105 /nfs/dbraw/zinc/50/31/05/711503105.db2.gz WFPZTPXRHWPUEI-LSJOCFKGSA-N 2 1 216.756 2.044 20 30 BEEDMP C=C(Cl)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000306592186 711503108 /nfs/dbraw/zinc/50/31/08/711503108.db2.gz WFPZTPXRHWPUEI-LSJOCFKGSA-N 2 1 216.756 2.044 20 30 BEEDMP C=C1CCC(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000724444666 711580864 /nfs/dbraw/zinc/58/08/64/711580864.db2.gz HWBNRXUBQDJDFC-OCCSQVGLSA-N 2 1 222.376 2.463 20 30 BEEDMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1C#N ZINC000701816611 712030325 /nfs/dbraw/zinc/03/03/25/712030325.db2.gz IGGCTGLBTQZTAF-AWEZNQCLSA-N 2 1 243.354 2.037 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000701911389 712031999 /nfs/dbraw/zinc/03/19/99/712031999.db2.gz VSPJREVICDONIX-NEPJUHHUSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000703701810 712084344 /nfs/dbraw/zinc/08/43/44/712084344.db2.gz SELMCYMJBWSCPM-CYBMUJFWSA-N 2 1 210.365 2.404 20 30 BEEDMP CCCCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708830807 712199926 /nfs/dbraw/zinc/19/99/26/712199926.db2.gz PTURPYSIXRWEJD-QWHCGFSZSA-N 2 1 212.381 2.483 20 30 BEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000709965811 712235338 /nfs/dbraw/zinc/23/53/38/712235338.db2.gz RZEACAGSTHIDIG-LBPRGKRZSA-N 2 1 235.375 2.166 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000383015423 712367090 /nfs/dbraw/zinc/36/70/90/712367090.db2.gz CCULCHZDTSTCSF-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000383015423 712367091 /nfs/dbraw/zinc/36/70/91/712367091.db2.gz CCULCHZDTSTCSF-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000714995252 712503026 /nfs/dbraw/zinc/50/30/26/712503026.db2.gz GIZDYDDCSWJNSS-AEGPPILISA-N 2 1 230.355 2.378 20 30 BEEDMP C=CC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000714995252 712503027 /nfs/dbraw/zinc/50/30/27/712503027.db2.gz GIZDYDDCSWJNSS-AEGPPILISA-N 2 1 230.355 2.378 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000714999377 712503684 /nfs/dbraw/zinc/50/36/84/712503684.db2.gz AGSJIVJKORGWIN-IVZWLZJFSA-N 2 1 236.281 2.020 20 30 BEEDMP C=C(C)C[N@H+](CC)C[C@@H]1CCC[NH+](C)C1 ZINC001208609454 969164106 /nfs/dbraw/zinc/16/41/06/969164106.db2.gz JTLHBFHOTITVIX-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[N@@H+](CC)C[C@@H]1CCC[NH+](C)C1 ZINC001208609454 969164109 /nfs/dbraw/zinc/16/41/09/969164109.db2.gz JTLHBFHOTITVIX-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[NH+](CC)C[C@@H]1CCC[N@H+](C)C1 ZINC001208609454 969164112 /nfs/dbraw/zinc/16/41/12/969164112.db2.gz JTLHBFHOTITVIX-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[NH+](CC)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208609454 969164115 /nfs/dbraw/zinc/16/41/15/969164115.db2.gz JTLHBFHOTITVIX-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000328009263 1166391203 /nfs/dbraw/zinc/39/12/03/1166391203.db2.gz PORFCSJMJNCYEM-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000328009263 1166391209 /nfs/dbraw/zinc/39/12/09/1166391209.db2.gz PORFCSJMJNCYEM-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C=CC[NH+](CC=C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525110 969723135 /nfs/dbraw/zinc/72/31/35/969723135.db2.gz GEBZNAGCRLTTRH-CYBMUJFWSA-N 2 1 208.349 2.145 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000686681545 1169110261 /nfs/dbraw/zinc/11/02/61/1169110261.db2.gz AJMNZXFIHUMRFE-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C#C[C@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256617157 970883064 /nfs/dbraw/zinc/88/30/64/970883064.db2.gz IJUIDNXEMQDRHC-WTUNAVPPSA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617157 970883070 /nfs/dbraw/zinc/88/30/70/970883070.db2.gz IJUIDNXEMQDRHC-WTUNAVPPSA-N 2 1 220.360 2.003 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C1CCC(C#N)CC1)C2 ZINC001256953228 971025489 /nfs/dbraw/zinc/02/54/89/971025489.db2.gz GKYXBVGHXNEUKI-YJIWRGBVSA-N 2 1 247.386 2.284 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)C2CCC(C#N)CC2)CC1 ZINC001256968950 971044605 /nfs/dbraw/zinc/04/46/05/971044605.db2.gz UCZWDJYXQIPSEI-UHFFFAOYSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)C2CCC(C#N)CC2)CC1 ZINC001256968950 971044615 /nfs/dbraw/zinc/04/46/15/971044615.db2.gz UCZWDJYXQIPSEI-UHFFFAOYSA-N 2 1 249.402 2.485 20 30 BEEDMP C=CC[N@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258017156 971558228 /nfs/dbraw/zinc/55/82/28/971558228.db2.gz UHFSTUHYWNFKIL-UHFFFAOYSA-N 2 1 210.365 2.225 20 30 BEEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC(C)(C)CCC#N ZINC000926426879 959076452 /nfs/dbraw/zinc/07/64/52/959076452.db2.gz SACSWJYJTACVMQ-PBWFPOADSA-N 2 1 249.402 2.246 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000383127411 960001237 /nfs/dbraw/zinc/00/12/37/960001237.db2.gz HXEVBOJYVZQWSS-FICVDOATSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000383127411 960001245 /nfs/dbraw/zinc/00/12/45/960001245.db2.gz HXEVBOJYVZQWSS-FICVDOATSA-N 2 1 236.403 2.356 20 30 BEEDMP CC[NH+](CC)CCC[C@H](C)[N@H+]1CC[C@@H](C#N)C1 ZINC001167838417 961216901 /nfs/dbraw/zinc/21/69/01/961216901.db2.gz UIZPMYGEHAYTRX-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP C#CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167971514 963048684 /nfs/dbraw/zinc/04/86/84/963048684.db2.gz WYWMDMIZECYAMR-GOOCMWNKSA-N 2 1 232.371 2.005 20 30 BEEDMP CCC[N@@H+](CCC#N)C1CCC([NH+](C)C)CC1 ZINC001168324901 964448347 /nfs/dbraw/zinc/44/83/47/964448347.db2.gz ZHEQGNJFQDPNHY-UHFFFAOYSA-N 2 1 237.391 2.485 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546618 967657870 /nfs/dbraw/zinc/65/78/70/967657870.db2.gz XELUPBNXIJTATK-LBPRGKRZSA-N 2 1 214.328 2.106 20 30 BEEDMP C[N@@H+]1CCC[C@H](C[NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607970 969163033 /nfs/dbraw/zinc/16/30/33/969163033.db2.gz DUQDUGJIOFHFMI-ZQDZILKHSA-N 2 1 247.386 2.095 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607970 969163036 /nfs/dbraw/zinc/16/30/36/969163036.db2.gz DUQDUGJIOFHFMI-ZQDZILKHSA-N 2 1 247.386 2.095 20 30 BEEDMP C[NH+]1CCC[C@H](C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607970 969163041 /nfs/dbraw/zinc/16/30/41/969163041.db2.gz DUQDUGJIOFHFMI-ZQDZILKHSA-N 2 1 247.386 2.095 20 30 BEEDMP C[NH+]1CCC[C@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607970 969163046 /nfs/dbraw/zinc/16/30/46/969163046.db2.gz DUQDUGJIOFHFMI-ZQDZILKHSA-N 2 1 247.386 2.095 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C#N)CC1)C2 ZINC001169089894 969406495 /nfs/dbraw/zinc/40/64/95/969406495.db2.gz GKYXBVGHXNEUKI-JCHZFPLDSA-N 2 1 247.386 2.284 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](C#N)CC1)C2 ZINC001169146085 969468761 /nfs/dbraw/zinc/46/87/61/969468761.db2.gz OJTKFUBCOJDULR-KBXIAJHMSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H](C#N)CC1)C2 ZINC001169146085 969468767 /nfs/dbraw/zinc/46/87/67/969468767.db2.gz OJTKFUBCOJDULR-KBXIAJHMSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H](C#N)CC1)C2 ZINC001169146085 969468772 /nfs/dbraw/zinc/46/87/72/969468772.db2.gz OJTKFUBCOJDULR-KBXIAJHMSA-N 2 1 247.386 2.237 20 30 BEEDMP C#CCCC1(CC[NH2+][C@H]2CCC[N@H+](C)CC2)N=N1 ZINC001254515253 969688592 /nfs/dbraw/zinc/68/85/92/969688592.db2.gz UOWAPQCWUVGFJS-ZDUSSCGKSA-N 2 1 248.374 2.026 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246553415 972751002 /nfs/dbraw/zinc/75/10/02/972751002.db2.gz RSMALACJWSNUBE-STQMWFEESA-N 2 1 223.364 2.272 20 30 BEEDMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171191802 972837048 /nfs/dbraw/zinc/83/70/48/972837048.db2.gz FQJLWINTDZJHNL-CHWSQXEVSA-N 2 1 245.370 2.016 20 30 BEEDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171191805 972837656 /nfs/dbraw/zinc/83/76/56/972837656.db2.gz FQJLWINTDZJHNL-STQMWFEESA-N 2 1 245.370 2.016 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246869570 973224654 /nfs/dbraw/zinc/22/46/54/973224654.db2.gz MOPFXBXDHWWIHE-VVYWCFLBSA-N 2 1 232.371 2.154 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246869570 973224678 /nfs/dbraw/zinc/22/46/78/973224678.db2.gz MOPFXBXDHWWIHE-VVYWCFLBSA-N 2 1 232.371 2.154 20 30 BEEDMP N#CC1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014517 973794988 /nfs/dbraw/zinc/79/49/88/973794988.db2.gz KOEDXWNMEMKBOD-SHWKFHJASA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014517 973794998 /nfs/dbraw/zinc/79/49/98/973794998.db2.gz KOEDXWNMEMKBOD-SHWKFHJASA-N 2 1 247.386 2.143 20 30 BEEDMP C#CC1([NH2+]C2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171623789 974120451 /nfs/dbraw/zinc/12/04/51/974120451.db2.gz GJYWMIJJQUBEAC-UHFFFAOYSA-N 2 1 234.387 2.393 20 30 BEEDMP C=CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154433 974328842 /nfs/dbraw/zinc/32/88/42/974328842.db2.gz IZVZEBHUXMFVTL-CHWSQXEVSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206154433 974328849 /nfs/dbraw/zinc/32/88/49/974328849.db2.gz IZVZEBHUXMFVTL-CHWSQXEVSA-N 2 1 228.355 2.494 20 30 BEEDMP C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099333 974342531 /nfs/dbraw/zinc/34/25/31/974342531.db2.gz JIYTVKSWRBZQKI-XYYAHUGASA-N 2 1 220.360 2.003 20 30 BEEDMP C=C(C)C[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099860 974344349 /nfs/dbraw/zinc/34/43/49/974344349.db2.gz NNBLEXOEFGTEJX-XYYAHUGASA-N 2 1 208.349 2.167 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172499467 974850224 /nfs/dbraw/zinc/85/02/24/974850224.db2.gz XYZHKCKIQWZNTL-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172499467 974850225 /nfs/dbraw/zinc/85/02/25/974850225.db2.gz XYZHKCKIQWZNTL-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172499467 974850233 /nfs/dbraw/zinc/85/02/33/974850233.db2.gz XYZHKCKIQWZNTL-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173324264 975271785 /nfs/dbraw/zinc/27/17/85/975271785.db2.gz KWJATLPURONDEN-UHFFFAOYSA-N 2 1 235.375 2.143 20 30 BEEDMP N#CCC1CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001173323813 975272354 /nfs/dbraw/zinc/27/23/54/975272354.db2.gz AWUNEFWWPLYPJD-UHFFFAOYSA-N 2 1 232.331 2.029 20 30 BEEDMP C[NH+](C)CCC[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173592004 975439063 /nfs/dbraw/zinc/43/90/63/975439063.db2.gz BRKIIKYPIQZGRX-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP CCCCCCC[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000323637426 976435616 /nfs/dbraw/zinc/43/56/16/976435616.db2.gz QXQILEKSOCDRCL-ZDUSSCGKSA-N 2 1 212.381 2.498 20 30 BEEDMP C#C[C@@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016381 977843766 /nfs/dbraw/zinc/84/37/66/977843766.db2.gz WOICGYSRGIACNP-GFCCVEGCSA-N 2 1 239.322 2.408 20 30 BEEDMP C[C@H](CCC#N)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001336721775 977882161 /nfs/dbraw/zinc/88/21/61/977882161.db2.gz PCJNEJWSVIIOIX-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001336721777 977883383 /nfs/dbraw/zinc/88/33/83/977883383.db2.gz PCJNEJWSVIIOIX-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP CC#CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC001337989195 978582067 /nfs/dbraw/zinc/58/20/67/978582067.db2.gz ZYBRMSJDPBQKQK-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP CC#CCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001337989195 978582071 /nfs/dbraw/zinc/58/20/71/978582071.db2.gz ZYBRMSJDPBQKQK-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP CC#CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC001337989195 978582076 /nfs/dbraw/zinc/58/20/76/978582076.db2.gz ZYBRMSJDPBQKQK-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP C=CCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235026778 978954599 /nfs/dbraw/zinc/95/45/99/978954599.db2.gz ROXKWSXVASXSMH-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187947 978993434 /nfs/dbraw/zinc/99/34/34/978993434.db2.gz JKCIVLBXKBRMMJ-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187947 978993444 /nfs/dbraw/zinc/99/34/44/978993444.db2.gz JKCIVLBXKBRMMJ-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP CCCCCCCC[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283340 979018083 /nfs/dbraw/zinc/01/80/83/979018083.db2.gz MUPSZEITPDREPF-CLLJXQQHSA-N 2 1 210.365 2.236 20 30 BEEDMP N#CCC[NH+]1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277938626 979032016 /nfs/dbraw/zinc/03/20/16/979032016.db2.gz CNVDJLJJYSBSSC-UHFFFAOYSA-N 2 1 247.386 2.240 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958259 979229818 /nfs/dbraw/zinc/22/98/18/979229818.db2.gz CATKRTYHUYOGNK-BTTYYORXSA-N 2 1 222.376 2.402 20 30 BEEDMP C=CC[N@H+](CCC[NH2+]C)C1CCCCC1 ZINC001236432655 979595256 /nfs/dbraw/zinc/59/52/56/979595256.db2.gz CKKRRTRLZAMCIK-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP CC[C@H]([NH3+])C[N@H+](C)CCCc1cccc(C#N)c1 ZINC001236861264 979766396 /nfs/dbraw/zinc/76/63/96/979766396.db2.gz YIWHYQHOIAMSOV-HNNXBMFYSA-N 2 1 245.370 2.160 20 30 BEEDMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1cccc(C#N)c1 ZINC001236861264 979766405 /nfs/dbraw/zinc/76/64/05/979766405.db2.gz YIWHYQHOIAMSOV-HNNXBMFYSA-N 2 1 245.370 2.160 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205601983 981159343 /nfs/dbraw/zinc/15/93/43/981159343.db2.gz HNCOOBCWWJIAOO-STQMWFEESA-N 2 1 210.365 2.259 20 30 BEEDMP C#CCCCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001462664341 986492168 /nfs/dbraw/zinc/49/21/68/986492168.db2.gz GVMPFMGKCVFDMR-ARFHVFGLSA-N 2 1 248.414 2.500 20 30 BEEDMP CC[C@H](CC#N)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001255153579 986825350 /nfs/dbraw/zinc/82/53/50/986825350.db2.gz ZCSXKNUMCPJOEQ-QWHCGFSZSA-N 2 1 223.364 2.000 20 30 BEEDMP C[C@H](CC[NH2+]Cc1cc(C#N)cs1)[NH+](C)C ZINC000697908067 987369491 /nfs/dbraw/zinc/36/94/91/987369491.db2.gz GWHFDNRMSISPAK-SNVBAGLBSA-N 2 1 237.372 2.050 20 30 BEEDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]2C1 ZINC001474302779 987684191 /nfs/dbraw/zinc/68/41/91/987684191.db2.gz GEJXLFNMOJCPGV-IHRRRGAJSA-N 2 1 249.402 2.246 20 30 BEEDMP N#CCC1CCC([N@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246541090 987911316 /nfs/dbraw/zinc/91/13/16/987911316.db2.gz LOLPZIDVSUBKTI-ROKHWSDSSA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246558954 987987975 /nfs/dbraw/zinc/98/79/75/987987975.db2.gz OEOFLHBUHLLDKI-MCIONIFRSA-N 2 1 237.391 2.376 20 30 BEEDMP CC[C@H](CC#N)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246578449 988092687 /nfs/dbraw/zinc/09/26/87/988092687.db2.gz RDYSGIJQFAECFF-OLZOCXBDSA-N 2 1 223.364 2.130 20 30 BEEDMP C=C1C[C@@H]2CC([NH+]3CC4(C[NH2+]C4)C3)C[C@H](C1)C2 ZINC001246612167 988246875 /nfs/dbraw/zinc/24/68/75/988246875.db2.gz FPNBRKDNPJYODM-PBWFPOADSA-N 2 1 232.371 2.027 20 30 BEEDMP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643990 988357678 /nfs/dbraw/zinc/35/76/78/988357678.db2.gz OSFMYEUQQKSIGA-KBPBESRZSA-N 2 1 235.375 2.287 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246643990 988357689 /nfs/dbraw/zinc/35/76/89/988357689.db2.gz OSFMYEUQQKSIGA-KBPBESRZSA-N 2 1 235.375 2.287 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4CC[NH2+]C[C@H]43)C[C@H](C1)C2 ZINC001246662460 988398589 /nfs/dbraw/zinc/39/85/89/988398589.db2.gz JKJBTZCZPXKRPM-IOUZAIRSSA-N 2 1 246.398 2.415 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4C[NH2+]CC[C@@H]43)C[C@H](C1)C2 ZINC001246672744 988413858 /nfs/dbraw/zinc/41/38/58/988413858.db2.gz LDLVUONHVNTHCD-MCAJLIOHSA-N 2 1 246.398 2.415 20 30 BEEDMP C=CC[N@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246842594 988547874 /nfs/dbraw/zinc/54/78/74/988547874.db2.gz ZDTJKCQCZYGZMB-UHFFFAOYSA-N 2 1 230.355 2.427 20 30 BEEDMP C=CC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246842594 988547886 /nfs/dbraw/zinc/54/78/86/988547886.db2.gz ZDTJKCQCZYGZMB-UHFFFAOYSA-N 2 1 230.355 2.427 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013653 988841596 /nfs/dbraw/zinc/84/15/96/988841596.db2.gz HODZIJRYYUSXFW-BFHYXJOUSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013653 988841602 /nfs/dbraw/zinc/84/16/02/988841602.db2.gz HODZIJRYYUSXFW-BFHYXJOUSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001258717660 991645029 /nfs/dbraw/zinc/64/50/29/991645029.db2.gz RODNRJHNGQCLCN-SNVBAGLBSA-N 2 1 207.321 2.220 20 30 BEEDMP C=CCC[C@@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258725184 991663493 /nfs/dbraw/zinc/66/34/93/991663493.db2.gz HBYDIDOMMPNORD-LLVKDONJSA-N 2 1 207.321 2.302 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258731573 991670030 /nfs/dbraw/zinc/67/00/30/991670030.db2.gz CDKVJHUWWAIVPD-LBPRGKRZSA-N 2 1 219.332 2.096 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258731573 991670034 /nfs/dbraw/zinc/67/00/34/991670034.db2.gz CDKVJHUWWAIVPD-LBPRGKRZSA-N 2 1 219.332 2.096 20 30 BEEDMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001258775564 991740884 /nfs/dbraw/zinc/74/08/84/991740884.db2.gz UBNKJRQUUHYDPZ-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001321181723 992478502 /nfs/dbraw/zinc/47/85/02/992478502.db2.gz NSEYDRAVLBFWPE-XDQVBPFNSA-N 2 1 235.375 2.141 20 30 BEEDMP C#C[C@@H]1CCCC[N@@H+]1CCCCCCC[NH3+] ZINC001574504252 992872994 /nfs/dbraw/zinc/87/29/94/992872994.db2.gz FGASVXMJGPAMLM-CQSZACIVSA-N 2 1 222.376 2.383 20 30 BEEDMP C=CCC(C)(C)C[NH2+]C[C@@H]([NH3+])CC(F)F ZINC001574890564 992938865 /nfs/dbraw/zinc/93/88/65/992938865.db2.gz ZWJSIIKTZQDXGB-VIFPVBQESA-N 2 1 220.307 2.161 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001574907643 992941107 /nfs/dbraw/zinc/94/11/07/992941107.db2.gz VHUHPCMYSCDORG-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001574907643 992941111 /nfs/dbraw/zinc/94/11/11/992941111.db2.gz VHUHPCMYSCDORG-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CC[C@@H]1CC[N@H+]1C[C@H]1CCCC[NH2+]C1 ZINC001574900221 992941305 /nfs/dbraw/zinc/94/13/05/992941305.db2.gz TYOFHSILNDDRLJ-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP CCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000390505704 993790856 /nfs/dbraw/zinc/79/08/56/993790856.db2.gz WIXCNZDQCMYQKQ-KBPBESRZSA-N 2 1 224.392 2.498 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)C[C@H](C)CCC#N)CC1 ZINC000602436492 349523163 /nfs/dbraw/zinc/52/31/63/349523163.db2.gz OUHRMFPGQDQAFV-CYBMUJFWSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)C[C@H](C)CCC#N)CC1 ZINC000602436492 349523165 /nfs/dbraw/zinc/52/31/65/349523165.db2.gz OUHRMFPGQDQAFV-CYBMUJFWSA-N 2 1 237.391 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000602502222 349561232 /nfs/dbraw/zinc/56/12/32/349561232.db2.gz KIZBFWFBYNFMBM-CYBMUJFWSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602527941 349578357 /nfs/dbraw/zinc/57/83/57/349578357.db2.gz NLSKGMRKAMEHBX-SHARSMKWSA-N 2 1 249.402 2.390 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000602510014 349584460 /nfs/dbraw/zinc/58/44/60/349584460.db2.gz IEBQDPRASBIWAU-CHWSQXEVSA-N 2 1 235.375 2.000 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602510018 349584507 /nfs/dbraw/zinc/58/45/07/349584507.db2.gz IEBQDPRASBIWAU-STQMWFEESA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)[N@H+](C)CCC[NH2+]C[C@@H](C)CCC#N ZINC000602509665 349584589 /nfs/dbraw/zinc/58/45/89/349584589.db2.gz GWEOACYUSBKSFW-ZDUSSCGKSA-N 2 1 225.380 2.246 20 30 BEEDMP C=CCCCCC[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000381869559 398281382 /nfs/dbraw/zinc/28/13/82/398281382.db2.gz YGDSXYKRCRDTIM-CYBMUJFWSA-N 2 1 210.365 2.274 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000602677220 349670190 /nfs/dbraw/zinc/67/01/90/349670190.db2.gz WZWFGFIYYUCEMV-HUUCEWRRSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000602677220 349670192 /nfs/dbraw/zinc/67/01/92/349670192.db2.gz WZWFGFIYYUCEMV-HUUCEWRRSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000602677220 349670193 /nfs/dbraw/zinc/67/01/93/349670193.db2.gz WZWFGFIYYUCEMV-HUUCEWRRSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000602626784 349663396 /nfs/dbraw/zinc/66/33/96/349663396.db2.gz PSSBYVCWTSLINA-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602684586 349676498 /nfs/dbraw/zinc/67/64/98/349676498.db2.gz ZXIHFQHHQKKMSC-RLAWYHOSSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000602687939 349678766 /nfs/dbraw/zinc/67/87/66/349678766.db2.gz RBRKIGOYWQYYDK-ZIAGYGMSSA-N 2 1 237.391 2.248 20 30 BEEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602668952 349686161 /nfs/dbraw/zinc/68/61/61/349686161.db2.gz YNPKFHCIRZZZOI-CHWSQXEVSA-N 2 1 225.380 2.245 20 30 BEEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602668952 349686164 /nfs/dbraw/zinc/68/61/64/349686164.db2.gz YNPKFHCIRZZZOI-CHWSQXEVSA-N 2 1 225.380 2.245 20 30 BEEDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](C)CCC#N ZINC000602697569 349693529 /nfs/dbraw/zinc/69/35/29/349693529.db2.gz BKOUGQYAHNGKOW-AWEZNQCLSA-N 2 1 239.407 2.494 20 30 BEEDMP C=CC[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000301660843 136265184 /nfs/dbraw/zinc/26/51/84/136265184.db2.gz ULOAPCNNBXACNS-UHFFFAOYSA-N 2 1 231.343 2.452 20 30 BEEDMP C[C@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[NH2+]1 ZINC000600710618 344361066 /nfs/dbraw/zinc/36/10/66/344361066.db2.gz POHMDJVCYVCGCQ-RJZJGCCBSA-N 2 1 235.375 2.189 20 30 BEEDMP N#CC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000260277165 344808232 /nfs/dbraw/zinc/80/82/32/344808232.db2.gz YDLYBXQYQCWSRH-HNNXBMFYSA-N 2 1 249.402 2.488 20 30 BEEDMP N#CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000260277165 344808233 /nfs/dbraw/zinc/80/82/33/344808233.db2.gz YDLYBXQYQCWSRH-HNNXBMFYSA-N 2 1 249.402 2.488 20 30 BEEDMP CCN1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135671348 344841791 /nfs/dbraw/zinc/84/17/91/344841791.db2.gz BAPPKHSLEUOESF-UHFFFAOYSA-N 2 1 249.383 2.194 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(C)(C)C#N ZINC000119846613 344867925 /nfs/dbraw/zinc/86/79/25/344867925.db2.gz XURQQORZESLXFN-UHFFFAOYSA-N 2 1 248.374 2.453 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(C)(C)C#N ZINC000119846613 344867928 /nfs/dbraw/zinc/86/79/28/344867928.db2.gz XURQQORZESLXFN-UHFFFAOYSA-N 2 1 248.374 2.453 20 30 BEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148699 345421724 /nfs/dbraw/zinc/42/17/24/345421724.db2.gz SUJNDUOTGLHTPP-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000309599345 347114311 /nfs/dbraw/zinc/11/43/11/347114311.db2.gz XFHFHOQZWZYIMF-DGAVXFQQSA-N 2 1 222.376 2.413 20 30 BEEDMP C=CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000271028083 166255825 /nfs/dbraw/zinc/25/58/25/166255825.db2.gz PJDOPHNBTMTGNI-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271028083 166255827 /nfs/dbraw/zinc/25/58/27/166255827.db2.gz PJDOPHNBTMTGNI-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP CCC[NH+]1CCC([N@@H+](C)CCCCC#N)CC1 ZINC000109788258 347465811 /nfs/dbraw/zinc/46/58/11/347465811.db2.gz YMUXZNPDORLHEZ-UHFFFAOYSA-N 2 1 237.391 2.486 20 30 BEEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000593646923 347926358 /nfs/dbraw/zinc/92/63/58/347926358.db2.gz UDBRZFQRUDHQLO-KGLIPLIRSA-N 2 1 237.391 2.246 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334446871 323169634 /nfs/dbraw/zinc/16/96/34/323169634.db2.gz LGWIZESLUYXQAD-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334446871 323169635 /nfs/dbraw/zinc/16/96/35/323169635.db2.gz LGWIZESLUYXQAD-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334446871 323169636 /nfs/dbraw/zinc/16/96/36/323169636.db2.gz LGWIZESLUYXQAD-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C[C@]1(C[NH2+]CC2(C#N)CCCCC2)CC[NH2+]C1 ZINC000594738912 348110603 /nfs/dbraw/zinc/11/06/03/348110603.db2.gz JOZLKTFQLDOQOV-ZDUSSCGKSA-N 2 1 235.375 2.050 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504103 348264299 /nfs/dbraw/zinc/26/42/99/348264299.db2.gz FEHGWMCFNPVVGH-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504103 348264303 /nfs/dbraw/zinc/26/43/03/348264303.db2.gz FEHGWMCFNPVVGH-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504103 348264306 /nfs/dbraw/zinc/26/43/06/348264306.db2.gz FEHGWMCFNPVVGH-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843498 348380817 /nfs/dbraw/zinc/38/08/17/348380817.db2.gz KRBKYDWOKZXMAE-AWEZNQCLSA-N 2 1 246.358 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595843498 348380821 /nfs/dbraw/zinc/38/08/21/348380821.db2.gz KRBKYDWOKZXMAE-AWEZNQCLSA-N 2 1 246.358 2.207 20 30 BEEDMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596654248 348607644 /nfs/dbraw/zinc/60/76/44/348607644.db2.gz ZGYOFKUGSJUBKK-KBPBESRZSA-N 2 1 249.402 2.438 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623510034 362935396 /nfs/dbraw/zinc/93/53/96/362935396.db2.gz DMCIBRFLOJOJHD-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP C[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)CC1(C)C ZINC000598981917 349076604 /nfs/dbraw/zinc/07/66/04/349076604.db2.gz SSCLROHWMDLPCZ-GFCCVEGCSA-N 2 1 237.391 2.389 20 30 BEEDMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCC#N)C1 ZINC000336734842 350490115 /nfs/dbraw/zinc/49/01/15/350490115.db2.gz WINIADJGQKHJQV-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000336734842 350490118 /nfs/dbraw/zinc/49/01/18/350490118.db2.gz WINIADJGQKHJQV-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC#N)C[C@H]1C ZINC000336717785 350468662 /nfs/dbraw/zinc/46/86/62/350468662.db2.gz YKTSFSPXUPRWOC-ZIAGYGMSSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC#N)C[C@H]1C ZINC000336717785 350468667 /nfs/dbraw/zinc/46/86/67/350468667.db2.gz YKTSFSPXUPRWOC-ZIAGYGMSSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC#N)C[C@H]1C ZINC000336717785 350468674 /nfs/dbraw/zinc/46/86/74/350468674.db2.gz YKTSFSPXUPRWOC-ZIAGYGMSSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC#N)C[C@@H]1C ZINC000336717777 350468692 /nfs/dbraw/zinc/46/86/92/350468692.db2.gz YKTSFSPXUPRWOC-KBPBESRZSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC#N)C[C@@H]1C ZINC000336717777 350468696 /nfs/dbraw/zinc/46/86/96/350468696.db2.gz YKTSFSPXUPRWOC-KBPBESRZSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC#N)C[C@@H]1C ZINC000336717777 350468700 /nfs/dbraw/zinc/46/87/00/350468700.db2.gz YKTSFSPXUPRWOC-KBPBESRZSA-N 2 1 237.391 2.485 20 30 BEEDMP Cc1nccn1CCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336719022 350472948 /nfs/dbraw/zinc/47/29/48/350472948.db2.gz VDVRAPSJKULXGN-GFCCVEGCSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336719022 350472955 /nfs/dbraw/zinc/47/29/55/350472955.db2.gz VDVRAPSJKULXGN-GFCCVEGCSA-N 2 1 246.358 2.206 20 30 BEEDMP C=CCOCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623569745 362998698 /nfs/dbraw/zinc/99/86/98/362998698.db2.gz VQLUUESGDKFCDJ-CYBMUJFWSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CC[NH+](CC=C)CCCn1cc[nH+]c1C ZINC000269129798 166335265 /nfs/dbraw/zinc/33/52/65/166335265.db2.gz JGRHZYJEWZMDPE-UHFFFAOYSA-N 2 1 219.332 2.256 20 30 BEEDMP C=C(CC)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334407615 353089192 /nfs/dbraw/zinc/08/91/92/353089192.db2.gz HLSPTRXGGITZRZ-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334407615 353089196 /nfs/dbraw/zinc/08/91/96/353089196.db2.gz HLSPTRXGGITZRZ-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334407615 353089198 /nfs/dbraw/zinc/08/91/98/353089198.db2.gz HLSPTRXGGITZRZ-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334407615 353089201 /nfs/dbraw/zinc/08/92/01/353089201.db2.gz HLSPTRXGGITZRZ-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334407615 353089203 /nfs/dbraw/zinc/08/92/03/353089203.db2.gz HLSPTRXGGITZRZ-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336762361 353205913 /nfs/dbraw/zinc/20/59/13/353205913.db2.gz LFPVSYYANLGYRN-UHFFFAOYSA-N 2 1 239.388 2.261 20 30 BEEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000336763836 353250814 /nfs/dbraw/zinc/25/08/14/353250814.db2.gz PQZBKKJHGWQTOQ-QWHCGFSZSA-N 2 1 210.365 2.273 20 30 BEEDMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000343924187 354044122 /nfs/dbraw/zinc/04/41/22/354044122.db2.gz HDFWANIVLHUQSO-BFHYXJOUSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000343924187 354044125 /nfs/dbraw/zinc/04/41/25/354044125.db2.gz HDFWANIVLHUQSO-BFHYXJOUSA-N 2 1 237.391 2.389 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000449734064 202010238 /nfs/dbraw/zinc/01/02/38/202010238.db2.gz LTHLXFBJRGBSDF-QWHCGFSZSA-N 2 1 210.365 2.273 20 30 BEEDMP CC(C)[NH2+]C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334615585 354301747 /nfs/dbraw/zinc/30/17/47/354301747.db2.gz KXGYTTWHOUCXBS-TZMCWYRMSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[N@@H+](CC#CC[NH+]2C[C@@H](C)[C@H](C)C2)C[C@H]1C ZINC000583506655 355341449 /nfs/dbraw/zinc/34/14/49/355341449.db2.gz UGZKQHHAGCLCGO-FPCVCCKLSA-N 2 1 248.414 2.165 20 30 BEEDMP C=C(C)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000352048227 134045866 /nfs/dbraw/zinc/04/58/66/134045866.db2.gz LGKGRJFQROWPEZ-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CC[N@@H+](C[C@H](C)[NH3+])CC1CCCCC1 ZINC000420307144 192208209 /nfs/dbraw/zinc/20/82/09/192208209.db2.gz RFQDHWJZUPSILR-LBPRGKRZSA-N 2 1 210.365 2.402 20 30 BEEDMP C=CC[N@H+](C[C@H](C)[NH3+])CC1CCCCC1 ZINC000420307144 192208211 /nfs/dbraw/zinc/20/82/11/192208211.db2.gz RFQDHWJZUPSILR-LBPRGKRZSA-N 2 1 210.365 2.402 20 30 BEEDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(C#N)cc1 ZINC000420366572 192225737 /nfs/dbraw/zinc/22/57/37/192225737.db2.gz RLSQXAMCYPOQJC-CYBMUJFWSA-N 2 1 231.343 2.021 20 30 BEEDMP C=CCCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420359114 192222262 /nfs/dbraw/zinc/22/22/62/192222262.db2.gz FYPDSQAOBGXPTI-ZDUSSCGKSA-N 2 1 210.365 2.450 20 30 BEEDMP C=C(C)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682323 356592159 /nfs/dbraw/zinc/59/21/59/356592159.db2.gz SPOKMWBAFJRDHD-UHFFFAOYSA-N 2 1 231.343 2.170 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000167734286 134153603 /nfs/dbraw/zinc/15/36/03/134153603.db2.gz WUZLMTYQLNYEPZ-GRYCIOLGSA-N 2 1 228.767 2.249 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423151320 192591156 /nfs/dbraw/zinc/59/11/56/192591156.db2.gz JUSIDVBZRHSMPF-SNVBAGLBSA-N 2 1 219.332 2.357 20 30 BEEDMP C=CCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423281334 192674125 /nfs/dbraw/zinc/67/41/25/192674125.db2.gz UHGALOICSACAGU-YPMHNXCESA-N 2 1 210.365 2.448 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@H]2CCC[C@@H]21 ZINC000367597951 134215746 /nfs/dbraw/zinc/21/57/46/134215746.db2.gz CQPKBFBFQQVPBH-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@@H]2CCC[C@@H]21 ZINC000367597949 134215867 /nfs/dbraw/zinc/21/58/67/134215867.db2.gz CQPKBFBFQQVPBH-IHRRRGAJSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134860212 358808939 /nfs/dbraw/zinc/80/89/39/358808939.db2.gz ZNUPZMDUHMUJTN-TZMCWYRMSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860212 358808942 /nfs/dbraw/zinc/80/89/42/358808942.db2.gz ZNUPZMDUHMUJTN-TZMCWYRMSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134860212 358808944 /nfs/dbraw/zinc/80/89/44/358808944.db2.gz ZNUPZMDUHMUJTN-TZMCWYRMSA-N 2 1 220.360 2.121 20 30 BEEDMP N#CCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247024408 359185595 /nfs/dbraw/zinc/18/55/95/359185595.db2.gz YCTWEEMYHMLKNT-DZGCQCFKSA-N 2 1 247.386 2.239 20 30 BEEDMP N#CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247024408 359185597 /nfs/dbraw/zinc/18/55/97/359185597.db2.gz YCTWEEMYHMLKNT-DZGCQCFKSA-N 2 1 247.386 2.239 20 30 BEEDMP N#CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247024408 359185601 /nfs/dbraw/zinc/18/56/01/359185601.db2.gz YCTWEEMYHMLKNT-DZGCQCFKSA-N 2 1 247.386 2.239 20 30 BEEDMP C=C(C)COCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623449575 359343418 /nfs/dbraw/zinc/34/34/18/359343418.db2.gz BIMKZNAHESZNQS-ZDUSSCGKSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CC[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000428384713 201014162 /nfs/dbraw/zinc/01/41/62/201014162.db2.gz XIRNXTJHKYYKGF-UHFFFAOYSA-N 2 1 242.326 2.194 20 30 BEEDMP C=C(CC)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429525844 201111955 /nfs/dbraw/zinc/11/19/55/201111955.db2.gz FLIPDDGMARAKFO-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000629550855 361444569 /nfs/dbraw/zinc/44/45/69/361444569.db2.gz PNRHGIYCERGURS-AWEZNQCLSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000629649970 361545831 /nfs/dbraw/zinc/54/58/31/361545831.db2.gz MOEIGRZOANEHNK-QWHCGFSZSA-N 2 1 210.365 2.258 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000629650623 361548372 /nfs/dbraw/zinc/54/83/72/361548372.db2.gz YDLNJCSBXHPCRA-MJBXVCDLSA-N 2 1 222.376 2.273 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252732831 364673132 /nfs/dbraw/zinc/67/31/32/364673132.db2.gz WTQZSEYGIKHMEH-XQQFMLRXSA-N 2 1 208.349 2.167 20 30 BEEDMP C[C@H](C1CC1)[NH+](C)CC#CC[N@H+](C)[C@@H](C)C1CC1 ZINC000581106437 367263240 /nfs/dbraw/zinc/26/32/40/367263240.db2.gz CMIPKALIVKPDOL-OKILXGFUSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@H](C1CC1)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)C1CC1 ZINC000581106437 367263244 /nfs/dbraw/zinc/26/32/44/367263244.db2.gz CMIPKALIVKPDOL-OKILXGFUSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@H](C1CC1)[N@H+](C)CC#CC[NH+](C)[C@@H](C)C1CC1 ZINC000581106437 367263247 /nfs/dbraw/zinc/26/32/47/367263247.db2.gz CMIPKALIVKPDOL-OKILXGFUSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@H](C1CC1)[NH+](C)CC#CC[N@H+](C)[C@H](C)C1CC1 ZINC000581106438 367262468 /nfs/dbraw/zinc/26/24/68/367262468.db2.gz CMIPKALIVKPDOL-ZIAGYGMSSA-N 2 1 248.414 2.450 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000384861066 367746593 /nfs/dbraw/zinc/74/65/93/367746593.db2.gz OINYHJVVKIWXLZ-NWDGAFQWSA-N 2 1 210.365 2.128 20 30 BEEDMP C=C(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000387333366 368157439 /nfs/dbraw/zinc/15/74/39/368157439.db2.gz DJVRICHLRKBUEI-UHFFFAOYSA-N 2 1 208.349 2.169 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000618887758 369235481 /nfs/dbraw/zinc/23/54/81/369235481.db2.gz HMKDYTCSAOHOIA-HZSPNIEDSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000618887758 369235489 /nfs/dbraw/zinc/23/54/89/369235489.db2.gz HMKDYTCSAOHOIA-HZSPNIEDSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000618887758 369235494 /nfs/dbraw/zinc/23/54/94/369235494.db2.gz HMKDYTCSAOHOIA-HZSPNIEDSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000618887758 369235497 /nfs/dbraw/zinc/23/54/97/369235497.db2.gz HMKDYTCSAOHOIA-HZSPNIEDSA-N 2 1 237.391 2.341 20 30 BEEDMP CC(C)(CC#N)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459729663 203345576 /nfs/dbraw/zinc/34/55/76/203345576.db2.gz KPVYOISPKSHBQU-UHFFFAOYSA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1C#N ZINC000600708681 369558994 /nfs/dbraw/zinc/55/89/94/369558994.db2.gz DZSBBWYQXDLSDN-HNNXBMFYSA-N 2 1 243.354 2.037 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1C#N ZINC000600708681 369559001 /nfs/dbraw/zinc/55/90/01/369559001.db2.gz DZSBBWYQXDLSDN-HNNXBMFYSA-N 2 1 243.354 2.037 20 30 BEEDMP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)[C@H]1CC[NH3+] ZINC000600769245 369561221 /nfs/dbraw/zinc/56/12/21/369561221.db2.gz KMNCSBQKGHZOGE-RISCZKNCSA-N 2 1 247.342 2.101 20 30 BEEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)[C@H]1CC[NH3+] ZINC000600769245 369561224 /nfs/dbraw/zinc/56/12/24/369561224.db2.gz KMNCSBQKGHZOGE-RISCZKNCSA-N 2 1 247.342 2.101 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000600711096 369561635 /nfs/dbraw/zinc/56/16/35/369561635.db2.gz QXFDDWSWFGUVED-WFASDCNBSA-N 2 1 243.354 2.178 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000600711096 369561637 /nfs/dbraw/zinc/56/16/37/369561637.db2.gz QXFDDWSWFGUVED-WFASDCNBSA-N 2 1 243.354 2.178 20 30 BEEDMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000601969199 369729091 /nfs/dbraw/zinc/72/90/91/369729091.db2.gz AMLBUQNMNIFEIF-LLVKDONJSA-N 2 1 247.342 2.019 20 30 BEEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149448 371011335 /nfs/dbraw/zinc/01/13/35/371011335.db2.gz XWJILWBXLNNMOB-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000070149448 371011340 /nfs/dbraw/zinc/01/13/40/371011340.db2.gz XWJILWBXLNNMOB-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP C[N@H+]1CCC[C@H]2C[NH+](CC3(CC#N)CC3)CC[C@H]21 ZINC000227336119 371837263 /nfs/dbraw/zinc/83/72/63/371837263.db2.gz SRHKPXNOOQDHFG-UONOGXRCSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000227336119 371837270 /nfs/dbraw/zinc/83/72/70/371837270.db2.gz SRHKPXNOOQDHFG-UONOGXRCSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000227336119 371837277 /nfs/dbraw/zinc/83/72/77/371837277.db2.gz SRHKPXNOOQDHFG-UONOGXRCSA-N 2 1 247.386 2.096 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375843581 533034129 /nfs/dbraw/zinc/03/41/29/533034129.db2.gz YDWFWTQKYMQPBM-RBSFLKMASA-N 2 1 234.387 2.252 20 30 BEEDMP C#CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000371204012 533050847 /nfs/dbraw/zinc/05/08/47/533050847.db2.gz FGKOTAHVRIGVLG-INIZCTEOSA-N 2 1 248.414 2.454 20 30 BEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174861573 384371215 /nfs/dbraw/zinc/37/12/15/384371215.db2.gz BTMRGMIYKDAKGH-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP CC#CC[NH+](C)CCCCC[N@H+](C)CC#CC ZINC000293019449 384783499 /nfs/dbraw/zinc/78/34/99/384783499.db2.gz FJDYOXZQMZXZBY-UHFFFAOYSA-N 2 1 234.387 2.067 20 30 BEEDMP C=CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157414461 385168654 /nfs/dbraw/zinc/16/86/54/385168654.db2.gz AGDFCDHOJBSZIQ-CYBMUJFWSA-N 2 1 208.349 2.123 20 30 BEEDMP C=CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157414461 385168658 /nfs/dbraw/zinc/16/86/58/385168658.db2.gz AGDFCDHOJBSZIQ-CYBMUJFWSA-N 2 1 208.349 2.123 20 30 BEEDMP C=C(C)COCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000163522496 385249008 /nfs/dbraw/zinc/24/90/08/385249008.db2.gz DWVZGSOPNWOLMF-GJZGRUSLSA-N 2 1 246.354 2.314 20 30 BEEDMP C=CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414885919 386067173 /nfs/dbraw/zinc/06/71/73/386067173.db2.gz CCUYSIJJYUPJEN-OAHLLOKOSA-N 2 1 246.354 2.078 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415009047 386402069 /nfs/dbraw/zinc/40/20/69/386402069.db2.gz NRHMBXLBRGSYTL-NEPJUHHUSA-N 2 1 234.343 2.077 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415009055 386402399 /nfs/dbraw/zinc/40/23/99/386402399.db2.gz NRHMBXLBRGSYTL-RYUDHWBXSA-N 2 1 234.343 2.077 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415009057 386402964 /nfs/dbraw/zinc/40/29/64/386402964.db2.gz NRHMBXLBRGSYTL-VXGBXAGGSA-N 2 1 234.343 2.077 20 30 BEEDMP C=C[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414757859 386405893 /nfs/dbraw/zinc/40/58/93/386405893.db2.gz LWLUXHYNQADEFE-STQMWFEESA-N 2 1 210.365 2.400 20 30 BEEDMP C=C[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414757859 386405896 /nfs/dbraw/zinc/40/58/96/386405896.db2.gz LWLUXHYNQADEFE-STQMWFEESA-N 2 1 210.365 2.400 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414812213 386639656 /nfs/dbraw/zinc/63/96/56/386639656.db2.gz XESKXFDVOVDAJP-HNNXBMFYSA-N 2 1 246.354 2.078 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502024 387356412 /nfs/dbraw/zinc/35/64/12/387356412.db2.gz WHTYJUCUCMMXNM-RWMBFGLXSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[C@@H](C)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422981705 387793766 /nfs/dbraw/zinc/79/37/66/387793766.db2.gz PAGBFNKMGBARSF-ZJUUUORDSA-N 2 1 205.305 2.109 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420403772 387999858 /nfs/dbraw/zinc/99/98/58/387999858.db2.gz RPJFUMDHACMGPY-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000453344647 388050943 /nfs/dbraw/zinc/05/09/43/388050943.db2.gz DXRXJTLNMGWCKF-MCIONIFRSA-N 2 1 222.376 2.415 20 30 BEEDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423293533 388076434 /nfs/dbraw/zinc/07/64/34/388076434.db2.gz ADBWMUAVJCQLAG-FRRDWIJNSA-N 2 1 223.364 2.176 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@@H+]1C ZINC000447545310 388076585 /nfs/dbraw/zinc/07/65/85/388076585.db2.gz QZATXEGYHNLEKZ-ZOBORPQBSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC[N@H+]1C ZINC000447545310 388076588 /nfs/dbraw/zinc/07/65/88/388076588.db2.gz QZATXEGYHNLEKZ-ZOBORPQBSA-N 2 1 235.375 2.141 20 30 BEEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447536400 388076623 /nfs/dbraw/zinc/07/66/23/388076623.db2.gz MZNGMLXOKHKUKX-MJBXVCDLSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CCC[C@H](CCC)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423268432 388047204 /nfs/dbraw/zinc/04/72/04/388047204.db2.gz DRCMCBNSPTVFOP-STQMWFEESA-N 2 1 210.365 2.448 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccncc1 ZINC000491438963 388294939 /nfs/dbraw/zinc/29/49/39/388294939.db2.gz HELIBCHQLGUMGK-HNNXBMFYSA-N 2 1 245.370 2.077 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccncc1 ZINC000491438963 388294940 /nfs/dbraw/zinc/29/49/40/388294940.db2.gz HELIBCHQLGUMGK-HNNXBMFYSA-N 2 1 245.370 2.077 20 30 BEEDMP C#C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000491617653 388305029 /nfs/dbraw/zinc/30/50/29/388305029.db2.gz BKPOGCGPGQXRRJ-CQSZACIVSA-N 2 1 236.403 2.497 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000491804296 388321746 /nfs/dbraw/zinc/32/17/46/388321746.db2.gz LMSRHIKUENAQKW-OAHLLOKOSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000491804296 388321747 /nfs/dbraw/zinc/32/17/47/388321747.db2.gz LMSRHIKUENAQKW-OAHLLOKOSA-N 2 1 234.387 2.110 20 30 BEEDMP C#C[C@@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)C ZINC000393785472 388441739 /nfs/dbraw/zinc/44/17/39/388441739.db2.gz XHDNHQCICDORRB-CYBMUJFWSA-N 2 1 222.376 2.108 20 30 BEEDMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271934152 388414487 /nfs/dbraw/zinc/41/44/87/388414487.db2.gz MEDDDJVHDJSKRK-NSHDSACASA-N 2 1 249.333 2.300 20 30 BEEDMP CC[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(C#N)cc1 ZINC000423275616 388689253 /nfs/dbraw/zinc/68/92/53/388689253.db2.gz LZHOOPPJRCKJOC-HUUCEWRRSA-N 2 1 243.354 2.336 20 30 BEEDMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275616 388689256 /nfs/dbraw/zinc/68/92/56/388689256.db2.gz LZHOOPPJRCKJOC-HUUCEWRRSA-N 2 1 243.354 2.336 20 30 BEEDMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)c(F)c1 ZINC000423282222 388689618 /nfs/dbraw/zinc/68/96/18/388689618.db2.gz CLMOTMYWBAXNOJ-VIFPVBQESA-N 2 1 235.306 2.085 20 30 BEEDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)c(F)c1 ZINC000423325173 388691904 /nfs/dbraw/zinc/69/19/04/388691904.db2.gz LEQTXVROBGPTPR-JTQLQIEISA-N 2 1 247.317 2.229 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000129369949 388834977 /nfs/dbraw/zinc/83/49/77/388834977.db2.gz IXMUKACFFOKULK-FRRDWIJNSA-N 2 1 242.432 2.224 20 30 BEEDMP CC1(C#N)CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000565607614 388958303 /nfs/dbraw/zinc/95/83/03/388958303.db2.gz KWJBSZVUCURSDU-UHFFFAOYSA-N 2 1 235.375 2.144 20 30 BEEDMP C=CC[N@H+](CCOCC[NH3+])CC1CCCCC1 ZINC000357074618 134182029 /nfs/dbraw/zinc/18/20/29/134182029.db2.gz IHOYWVDKDBJZIC-UHFFFAOYSA-N 2 1 240.391 2.030 20 30 BEEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000341891241 135244729 /nfs/dbraw/zinc/24/47/29/135244729.db2.gz CEFJLMXUDSNEEJ-GEEKYZPCSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000341891241 135244731 /nfs/dbraw/zinc/24/47/31/135244731.db2.gz CEFJLMXUDSNEEJ-GEEKYZPCSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2C)[C@@H]1C ZINC000341891241 135244732 /nfs/dbraw/zinc/24/47/32/135244732.db2.gz CEFJLMXUDSNEEJ-GEEKYZPCSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@H](CCCC#N)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172503712 974857182 /nfs/dbraw/zinc/85/71/82/974857182.db2.gz GQSUOCDQLFREBE-CYBMUJFWSA-N 2 1 235.375 2.239 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275475073 166294082 /nfs/dbraw/zinc/29/40/82/166294082.db2.gz HXYVFEXCIHJCIS-CHWSQXEVSA-N 2 1 233.359 2.390 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602516655 411296547 /nfs/dbraw/zinc/29/65/47/411296547.db2.gz PBCLMHSSAOJZGQ-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000070593219 411336516 /nfs/dbraw/zinc/33/65/16/411336516.db2.gz RBOJDUZOHOXMQU-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660220 411614811 /nfs/dbraw/zinc/61/48/11/411614811.db2.gz WXBQJKZDVLOXFX-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660220 411614813 /nfs/dbraw/zinc/61/48/13/411614813.db2.gz WXBQJKZDVLOXFX-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660220 411614814 /nfs/dbraw/zinc/61/48/14/411614814.db2.gz WXBQJKZDVLOXFX-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660220 411614816 /nfs/dbraw/zinc/61/48/16/411614816.db2.gz WXBQJKZDVLOXFX-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CC#N)CC1 ZINC000260318997 323030708 /nfs/dbraw/zinc/03/07/08/323030708.db2.gz ZXRUSHHNRJPYNK-OAHLLOKOSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CC#N)CC1 ZINC000260318990 323030782 /nfs/dbraw/zinc/03/07/82/323030782.db2.gz ZXRUSHHNRJPYNK-HNNXBMFYSA-N 2 1 249.402 2.486 20 30 BEEDMP C=CCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397310588 323093181 /nfs/dbraw/zinc/09/31/81/323093181.db2.gz OREKIBAZYSQWMR-XQQFMLRXSA-N 2 1 210.365 2.258 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334446874 323169601 /nfs/dbraw/zinc/16/96/01/323169601.db2.gz LGWIZESLUYXQAD-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334446874 323169602 /nfs/dbraw/zinc/16/96/02/323169602.db2.gz LGWIZESLUYXQAD-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334446874 323169603 /nfs/dbraw/zinc/16/96/03/323169603.db2.gz LGWIZESLUYXQAD-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337226615 534371871 /nfs/dbraw/zinc/37/18/71/534371871.db2.gz PKDKHCRTZCFKRM-UHFFFAOYSA-N 2 1 210.365 2.370 20 30 BEEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251212757 534420349 /nfs/dbraw/zinc/42/03/49/534420349.db2.gz KLRAKKRTBDDAJW-STQMWFEESA-N 2 1 208.349 2.169 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000163666128 534722665 /nfs/dbraw/zinc/72/26/65/534722665.db2.gz BXFONFXOCIWYQQ-XQQFMLRXSA-N 2 1 208.349 2.012 20 30 BEEDMP C=CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173950995 527320285 /nfs/dbraw/zinc/32/02/85/527320285.db2.gz XJKLHTPQPCQQOQ-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173950995 527320290 /nfs/dbraw/zinc/32/02/90/527320290.db2.gz XJKLHTPQPCQQOQ-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173950995 527320294 /nfs/dbraw/zinc/32/02/94/527320294.db2.gz XJKLHTPQPCQQOQ-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794765 534946269 /nfs/dbraw/zinc/94/62/69/534946269.db2.gz FLWGUWCPVISEBM-SOUVJXGZSA-N 2 1 249.402 2.390 20 30 BEEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794744 534956984 /nfs/dbraw/zinc/95/69/84/534956984.db2.gz FLWGUWCPVISEBM-RRFJBIMHSA-N 2 1 249.402 2.390 20 30 BEEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000353576059 535017576 /nfs/dbraw/zinc/01/75/76/535017576.db2.gz MREPTWJNWPDLHM-MCIONIFRSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000353576059 535017577 /nfs/dbraw/zinc/01/75/77/535017577.db2.gz MREPTWJNWPDLHM-MCIONIFRSA-N 2 1 237.391 2.387 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852748798 583016126 /nfs/dbraw/zinc/01/61/26/583016126.db2.gz DVAYBLHXLLTFTN-VXGBXAGGSA-N 2 1 228.767 2.060 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000729932352 584030556 /nfs/dbraw/zinc/03/05/56/584030556.db2.gz ZGUIBWMMCUWENV-NSHDSACASA-N 2 1 225.723 2.273 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903000814 584715700 /nfs/dbraw/zinc/71/57/00/584715700.db2.gz MUFSUZCPIGAZHH-KBPBESRZSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903000814 584715701 /nfs/dbraw/zinc/71/57/01/584715701.db2.gz MUFSUZCPIGAZHH-KBPBESRZSA-N 2 1 234.387 2.110 20 30 BEEDMP C[C@](C[NH3+])([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000903426807 584760841 /nfs/dbraw/zinc/76/08/41/584760841.db2.gz OKMUTAYIUJOIHO-ORHYLEIMSA-N 2 1 235.375 2.033 20 30 BEEDMP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903424753 584765226 /nfs/dbraw/zinc/76/52/26/584765226.db2.gz DWZILVUKSYWAHL-RUXDESIVSA-N 2 1 235.375 2.000 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000903452656 584773063 /nfs/dbraw/zinc/77/30/63/584773063.db2.gz PJWYBBZOLARTHO-PFSRBDOWSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000903452656 584773064 /nfs/dbraw/zinc/77/30/64/584773064.db2.gz PJWYBBZOLARTHO-PFSRBDOWSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000903476200 584777352 /nfs/dbraw/zinc/77/73/52/584777352.db2.gz QDWPZDUMQGPMGF-PFSRBDOWSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000903476200 584777353 /nfs/dbraw/zinc/77/73/53/584777353.db2.gz QDWPZDUMQGPMGF-PFSRBDOWSA-N 2 1 247.386 2.143 20 30 BEEDMP C[NH2+]C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903717019 584792190 /nfs/dbraw/zinc/79/21/90/584792190.db2.gz WXTGPNGMFWEWFI-AWEZNQCLSA-N 2 1 249.402 2.392 20 30 BEEDMP N#CC1(CCCC[N@H+]2CC3CC2(C[NH3+])C3)CCC1 ZINC000903766087 584797632 /nfs/dbraw/zinc/79/76/32/584797632.db2.gz OFEMDBMIJWQYBG-UHFFFAOYSA-N 2 1 247.386 2.274 20 30 BEEDMP N#CC1(CCCC[N@@H+]2CC3CC2(C[NH3+])C3)CCC1 ZINC000903766087 584797633 /nfs/dbraw/zinc/79/76/33/584797633.db2.gz OFEMDBMIJWQYBG-UHFFFAOYSA-N 2 1 247.386 2.274 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903769541 584797787 /nfs/dbraw/zinc/79/77/87/584797787.db2.gz IUPQXKRWBFTPPX-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903779457 584799671 /nfs/dbraw/zinc/79/96/71/584799671.db2.gz ZXORAFZQQXTEFK-QWHCGFSZSA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCCCC1(C#N)CCC1 ZINC000903779457 584799672 /nfs/dbraw/zinc/79/96/72/584799672.db2.gz ZXORAFZQQXTEFK-QWHCGFSZSA-N 2 1 235.375 2.272 20 30 BEEDMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cc(C#N)cs1 ZINC000903827185 584805066 /nfs/dbraw/zinc/80/50/66/584805066.db2.gz PXPHKOMZJYMECQ-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C=CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000779188162 585746823 /nfs/dbraw/zinc/74/68/23/585746823.db2.gz GWMFCPYQBDPSPQ-UHFFFAOYSA-N 2 1 218.344 2.366 20 30 BEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000809624934 586509772 /nfs/dbraw/zinc/50/97/72/586509772.db2.gz UMVIRDZZQDIQNF-CZUORRHYSA-N 2 1 242.366 2.240 20 30 BEEDMP CC[N@H+]1CC[C@@H](NCC2(C#N)CCC2)[C@@H](C)C1 ZINC000841898942 587982461 /nfs/dbraw/zinc/98/24/61/587982461.db2.gz QRORIJFJLZKRGU-QWHCGFSZSA-N 2 1 235.375 2.000 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000846170147 588259018 /nfs/dbraw/zinc/25/90/18/588259018.db2.gz LXTMKHXXXOFSDF-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000846170147 588259019 /nfs/dbraw/zinc/25/90/19/588259019.db2.gz LXTMKHXXXOFSDF-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C#CCCCCCC[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000877138767 590291800 /nfs/dbraw/zinc/29/18/00/590291800.db2.gz QMPDEDBJSHHJTL-UHFFFAOYSA-N 2 1 234.387 2.422 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167500 590513869 /nfs/dbraw/zinc/51/38/69/590513869.db2.gz VDAPOUJYLCLBBA-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CCCCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167500 590513872 /nfs/dbraw/zinc/51/38/72/590513872.db2.gz VDAPOUJYLCLBBA-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167500 590513874 /nfs/dbraw/zinc/51/38/74/590513874.db2.gz VDAPOUJYLCLBBA-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000878198173 590522978 /nfs/dbraw/zinc/52/29/78/590522978.db2.gz UKJVBMIHUOVUPY-BFHYXJOUSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000878198173 590522981 /nfs/dbraw/zinc/52/29/81/590522981.db2.gz UKJVBMIHUOVUPY-BFHYXJOUSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000878198173 590522983 /nfs/dbraw/zinc/52/29/83/590522983.db2.gz UKJVBMIHUOVUPY-BFHYXJOUSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878661672 590604635 /nfs/dbraw/zinc/60/46/35/590604635.db2.gz GWQDCAREMBQBLY-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878661672 590604636 /nfs/dbraw/zinc/60/46/36/590604636.db2.gz GWQDCAREMBQBLY-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878661672 590604638 /nfs/dbraw/zinc/60/46/38/590604638.db2.gz GWQDCAREMBQBLY-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C#CCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517592 591083869 /nfs/dbraw/zinc/08/38/69/591083869.db2.gz UFMAJRSSNUZUQO-UHFFFAOYSA-N 2 1 222.376 2.208 20 30 BEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000231668824 641190883 /nfs/dbraw/zinc/19/08/83/641190883.db2.gz QTTCZBVTMYXFTK-HNNXBMFYSA-N 2 1 243.354 2.132 20 30 BEEDMP CC(C)CCC(N)=[NH+]OCC[NH+]1CCCCC1 ZINC000194388251 644317577 /nfs/dbraw/zinc/31/75/77/644317577.db2.gz JGNMAGZYWQHYMG-UHFFFAOYSA-N 2 1 241.379 2.197 20 30 BEEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000762920838 644653305 /nfs/dbraw/zinc/65/33/05/644653305.db2.gz YKBGZYBEKLGNHU-UHFFFAOYSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)C(C)C ZINC000762920838 644653311 /nfs/dbraw/zinc/65/33/11/644653311.db2.gz YKBGZYBEKLGNHU-UHFFFAOYSA-N 2 1 221.348 2.478 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925567410 646337001 /nfs/dbraw/zinc/33/70/01/646337001.db2.gz DCIGRNTUEHEURH-QWHCGFSZSA-N 2 1 242.794 2.497 20 30 BEEDMP C=C1CCC(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000925835397 646502332 /nfs/dbraw/zinc/50/23/32/646502332.db2.gz OPQDUPGOPJEEIK-JSGCOSHPSA-N 2 1 222.376 2.320 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000703671638 712082869 /nfs/dbraw/zinc/08/28/69/712082869.db2.gz SCECEIPSGOSWOZ-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000383093009 710966381 /nfs/dbraw/zinc/96/63/81/710966381.db2.gz XSLBELXIXVQKQX-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000383093009 710966384 /nfs/dbraw/zinc/96/63/84/710966384.db2.gz XSLBELXIXVQKQX-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000390529633 711123609 /nfs/dbraw/zinc/12/36/09/711123609.db2.gz IAFPBXQKIYJGES-JSGCOSHPSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000390529651 711124212 /nfs/dbraw/zinc/12/42/12/711124212.db2.gz IAFPBXQKIYJGES-TZMCWYRMSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000396651093 711363611 /nfs/dbraw/zinc/36/36/11/711363611.db2.gz DNUQLPBVPJHFFT-NEPJUHHUSA-N 2 1 210.365 2.319 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000397786534 711391351 /nfs/dbraw/zinc/39/13/51/711391351.db2.gz YJLPEPCBZQPZON-UONOGXRCSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000397786534 711391355 /nfs/dbraw/zinc/39/13/55/711391355.db2.gz YJLPEPCBZQPZON-UONOGXRCSA-N 2 1 236.403 2.356 20 30 BEEDMP C=CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000235661274 711604118 /nfs/dbraw/zinc/60/41/18/711604118.db2.gz FDSIJKJUHUKLOU-NWDGAFQWSA-N 2 1 208.349 2.025 20 30 BEEDMP C=CC[C@H]1CC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000703671632 712083034 /nfs/dbraw/zinc/08/30/34/712083034.db2.gz SCECEIPSGOSWOZ-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000703690043 712083521 /nfs/dbraw/zinc/08/35/21/712083521.db2.gz KPGCRPPLJGPEFL-GFCCVEGCSA-N 2 1 208.349 2.027 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000709997230 712238819 /nfs/dbraw/zinc/23/88/19/712238819.db2.gz NJHIWIDRKQHZEM-LBPRGKRZSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000709997229 712238922 /nfs/dbraw/zinc/23/89/22/712238922.db2.gz NJHIWIDRKQHZEM-GFCCVEGCSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000822123792 963939402 /nfs/dbraw/zinc/93/94/02/963939402.db2.gz DXAYEZGDHWWESB-STQMWFEESA-N 2 1 210.365 2.415 20 30 BEEDMP CCC[N@@H+](CCC#N)CC1(C)CC[NH+](C)CC1 ZINC001208114482 969008359 /nfs/dbraw/zinc/00/83/59/969008359.db2.gz YCBKVOPMIKQEST-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP C#CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CC1 ZINC001253563041 969234993 /nfs/dbraw/zinc/23/49/93/969234993.db2.gz KGFRBODMDIZZIN-HNNXBMFYSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CC1 ZINC001253563041 969235005 /nfs/dbraw/zinc/23/50/05/969235005.db2.gz KGFRBODMDIZZIN-HNNXBMFYSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1CC1 ZINC001253563041 969235020 /nfs/dbraw/zinc/23/50/20/969235020.db2.gz KGFRBODMDIZZIN-HNNXBMFYSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC(CC)(CC)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001254497196 969656859 /nfs/dbraw/zinc/65/68/59/969656859.db2.gz HVQBOFMYWJVNGV-ZDUSSCGKSA-N 2 1 222.376 2.252 20 30 BEEDMP C[N@@H+]1CCC[C@H]([NH2+]C2(CC#N)CCCC2)CC1 ZINC001254514233 969685606 /nfs/dbraw/zinc/68/56/06/969685606.db2.gz JRJAFWHBHSGAKI-ZDUSSCGKSA-N 2 1 235.375 2.287 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]C2(CC#N)CCCC2)CC1 ZINC001254514233 969685611 /nfs/dbraw/zinc/68/56/11/969685611.db2.gz JRJAFWHBHSGAKI-ZDUSSCGKSA-N 2 1 235.375 2.287 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000696104798 1167653933 /nfs/dbraw/zinc/65/39/33/1167653933.db2.gz MXZAYZMNUNYPOH-JKSUJKDBSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000696104798 1167653938 /nfs/dbraw/zinc/65/39/38/1167653938.db2.gz MXZAYZMNUNYPOH-JKSUJKDBSA-N 2 1 248.414 2.500 20 30 BEEDMP C=CCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235259577 1167783980 /nfs/dbraw/zinc/78/39/80/1167783980.db2.gz MJCIFIZCWOJVJL-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000086818616 1168311457 /nfs/dbraw/zinc/31/14/57/1168311457.db2.gz JONCTFBTMAOXBC-OAHLLOKOSA-N 2 1 243.354 2.132 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000086818614 1168312868 /nfs/dbraw/zinc/31/28/68/1168312868.db2.gz QSKZXNLCQKXUGZ-OAHLLOKOSA-N 2 1 243.354 2.132 20 30 BEEDMP C[C@@]1([NH3+])CCC[N@H+](C2CCC(C#N)CC2)CC1 ZINC001246547204 1168647315 /nfs/dbraw/zinc/64/73/15/1168647315.db2.gz BUTMKBONTDKNBR-JXQTWKCFSA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172479777 974778890 /nfs/dbraw/zinc/77/88/90/974778890.db2.gz ONCSHZBCFOXOMN-QWHCGFSZSA-N 2 1 223.364 2.143 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584874 972969000 /nfs/dbraw/zinc/96/90/00/972969000.db2.gz VYRYOFIIJWXFSZ-STQMWFEESA-N 2 1 210.365 2.402 20 30 BEEDMP C[N@H+]1CC[C@@]2(CC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256973526 971053649 /nfs/dbraw/zinc/05/36/49/971053649.db2.gz RJODLIWFGXKJLZ-YMAMQOFZSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256973526 971053660 /nfs/dbraw/zinc/05/36/60/971053660.db2.gz RJODLIWFGXKJLZ-YMAMQOFZSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(CC[N@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256973526 971053670 /nfs/dbraw/zinc/05/36/70/971053670.db2.gz RJODLIWFGXKJLZ-YMAMQOFZSA-N 2 1 247.386 2.096 20 30 BEEDMP C#C[C@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624818 974121152 /nfs/dbraw/zinc/12/11/52/974121152.db2.gz YRKHMOPMBIZDDA-NSHDSACASA-N 2 1 222.376 2.249 20 30 BEEDMP C#CCCCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000686680427 960786791 /nfs/dbraw/zinc/78/67/91/960786791.db2.gz RPIGXHVNGNFIBB-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CCCCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000686680427 960786808 /nfs/dbraw/zinc/78/68/08/960786808.db2.gz RPIGXHVNGNFIBB-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CCCCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000686680427 960786827 /nfs/dbraw/zinc/78/68/27/960786827.db2.gz RPIGXHVNGNFIBB-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC001254653356 1169815067 /nfs/dbraw/zinc/81/50/67/1169815067.db2.gz MVBDPVRAWVZDCC-BARDWOONSA-N 2 1 249.402 2.387 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001168328758 964461604 /nfs/dbraw/zinc/46/16/04/964461604.db2.gz CFGSHUHXJLKNAR-RUXDESIVSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000697877740 964605412 /nfs/dbraw/zinc/60/54/12/964605412.db2.gz OHWOJRYFYNSCQD-NSHDSACASA-N 2 1 249.333 2.127 20 30 BEEDMP C#CCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895233 1169851097 /nfs/dbraw/zinc/85/10/97/1169851097.db2.gz SJFCXGXQQIDMPA-CQSZACIVSA-N 2 1 234.387 2.396 20 30 BEEDMP C#CCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895233 1169851119 /nfs/dbraw/zinc/85/11/19/1169851119.db2.gz SJFCXGXQQIDMPA-CQSZACIVSA-N 2 1 234.387 2.396 20 30 BEEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([NH3+])CC1 ZINC001205116903 967364943 /nfs/dbraw/zinc/36/49/43/967364943.db2.gz IVWVBCCIGKHUFI-HNNXBMFYSA-N 2 1 243.354 2.180 20 30 BEEDMP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001205280856 967472021 /nfs/dbraw/zinc/47/20/21/967472021.db2.gz KIYHGNIWIAGXRJ-ZDUSSCGKSA-N 2 1 249.383 2.323 20 30 BEEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001205280856 967472025 /nfs/dbraw/zinc/47/20/25/967472025.db2.gz KIYHGNIWIAGXRJ-ZDUSSCGKSA-N 2 1 249.383 2.323 20 30 BEEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000829179999 968822598 /nfs/dbraw/zinc/82/25/98/968822598.db2.gz QPBDPGNRTLZUDD-OLZOCXBDSA-N 2 1 249.402 2.389 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001207836215 968895888 /nfs/dbraw/zinc/89/58/88/968895888.db2.gz HQPFVMIUVUMYOA-RFQIPJPRSA-N 2 1 222.376 2.271 20 30 BEEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001208113501 969008638 /nfs/dbraw/zinc/00/86/38/969008638.db2.gz KKOSCAWIXUVQCS-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+](C)CC1(C[NH+]2CCC(C#N)CC2)CCCC1 ZINC001208182438 969112890 /nfs/dbraw/zinc/11/28/90/969112890.db2.gz UDHZICREFKFOHH-UHFFFAOYSA-N 2 1 249.402 2.344 20 30 BEEDMP C#Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)cc1 ZINC001254505767 969672915 /nfs/dbraw/zinc/67/29/15/969672915.db2.gz IUWYZMXUUDPSSR-INIZCTEOSA-N 2 1 242.366 2.242 20 30 BEEDMP C[N@@H+]1CCC[C@@H]([NH2+]C2(CC#N)CCCC2)CC1 ZINC001254514232 969690631 /nfs/dbraw/zinc/69/06/31/969690631.db2.gz JRJAFWHBHSGAKI-CYBMUJFWSA-N 2 1 235.375 2.287 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]C2(CC#N)CCCC2)CC1 ZINC001254514232 969690639 /nfs/dbraw/zinc/69/06/39/969690639.db2.gz JRJAFWHBHSGAKI-CYBMUJFWSA-N 2 1 235.375 2.287 20 30 BEEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254643304 969759239 /nfs/dbraw/zinc/75/92/39/969759239.db2.gz NSEYDRAVLBFWPE-RFGFWPKPSA-N 2 1 235.375 2.141 20 30 BEEDMP C=CCCCCC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210476123 969900295 /nfs/dbraw/zinc/90/02/95/969900295.db2.gz SAQIMTVNBKPDTE-ZDUSSCGKSA-N 2 1 210.365 2.417 20 30 BEEDMP C#CC(C)(C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255663484 970443306 /nfs/dbraw/zinc/44/33/06/970443306.db2.gz JIYTVKSWRBZQKI-YHWZYXNKSA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@](C)(CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668257 970448516 /nfs/dbraw/zinc/44/85/16/970448516.db2.gz IILQIZUVROVHSR-JALIKCBVSA-N 2 1 234.387 2.393 20 30 BEEDMP C#CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671757 970452465 /nfs/dbraw/zinc/45/24/65/970452465.db2.gz SLBIAYLBRPHIEA-GOOCMWNKSA-N 2 1 234.387 2.395 20 30 BEEDMP C#C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255680659 970455355 /nfs/dbraw/zinc/45/53/55/970455355.db2.gz FDMCOZCIBBQOBH-LSVZVQIISA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255680659 970455362 /nfs/dbraw/zinc/45/53/62/970455362.db2.gz FDMCOZCIBBQOBH-LSVZVQIISA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680659 970455365 /nfs/dbraw/zinc/45/53/65/970455365.db2.gz FDMCOZCIBBQOBH-LSVZVQIISA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680659 970455371 /nfs/dbraw/zinc/45/53/71/970455371.db2.gz FDMCOZCIBBQOBH-LSVZVQIISA-N 2 1 246.398 2.347 20 30 BEEDMP C[NH+]1CCC([NH2+]CCCCCCS)CC1 ZINC001256201291 970693571 /nfs/dbraw/zinc/69/35/71/970693571.db2.gz CEUXBFYMEJKAEG-UHFFFAOYSA-N 2 1 230.421 2.160 20 30 BEEDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC001327841758 972756466 /nfs/dbraw/zinc/75/64/66/972756466.db2.gz ZEISUNWEEFVDQB-MNOVXSKESA-N 2 1 249.333 2.346 20 30 BEEDMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171191803 972839300 /nfs/dbraw/zinc/83/93/00/972839300.db2.gz FQJLWINTDZJHNL-OLZOCXBDSA-N 2 1 245.370 2.016 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCC#N)C2 ZINC001172107535 974363635 /nfs/dbraw/zinc/36/36/35/974363635.db2.gz ZHXOWTFTEUQODZ-BTTYYORXSA-N 2 1 235.375 2.285 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115232 974380391 /nfs/dbraw/zinc/38/03/91/974380391.db2.gz SLBIAYLBRPHIEA-QKDCVEJESA-N 2 1 234.387 2.395 20 30 BEEDMP C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300783 974512465 /nfs/dbraw/zinc/51/24/65/974512465.db2.gz ZGYQYIQEWIORBM-STQMWFEESA-N 2 1 245.370 2.016 20 30 BEEDMP C=CCOC1CCC(n2c[nH+]cc2CC[NH3+])CC1 ZINC001173308363 975217379 /nfs/dbraw/zinc/21/73/79/975217379.db2.gz IZDLSPSXJUNMRH-UHFFFAOYSA-N 2 1 249.358 2.071 20 30 BEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332711 975282182 /nfs/dbraw/zinc/28/21/82/975282182.db2.gz SCYVARUSDCUVQI-URGYJCLVSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332711 975282196 /nfs/dbraw/zinc/28/21/96/975282196.db2.gz SCYVARUSDCUVQI-URGYJCLVSA-N 2 1 249.402 2.389 20 30 BEEDMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(C)(C#N)CC1 ZINC001173584583 975425836 /nfs/dbraw/zinc/42/58/36/975425836.db2.gz BBJDUFRDZMAQEM-UHFFFAOYSA-N 2 1 246.358 2.338 20 30 BEEDMP C#CC[N@H+](CCC)C1CC[NH+](CCC)CC1 ZINC001340886781 979141614 /nfs/dbraw/zinc/14/16/14/979141614.db2.gz SEUIFCAZXPOAQM-UHFFFAOYSA-N 2 1 222.376 2.206 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235977285 979243046 /nfs/dbraw/zinc/24/30/46/979243046.db2.gz FZSQFFANZZORDU-OLZOCXBDSA-N 2 1 208.349 2.156 20 30 BEEDMP CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236016257 979303001 /nfs/dbraw/zinc/30/30/01/979303001.db2.gz OXBFIDGPYIRLHB-CHWSQXEVSA-N 2 1 210.365 2.380 20 30 BEEDMP CCCCCCCC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236016257 979303012 /nfs/dbraw/zinc/30/30/12/979303012.db2.gz OXBFIDGPYIRLHB-CHWSQXEVSA-N 2 1 210.365 2.380 20 30 BEEDMP CC#CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212763 983806779 /nfs/dbraw/zinc/80/67/79/983806779.db2.gz OODZYZZDJOJYSQ-UHFFFAOYSA-N 2 1 230.355 2.203 20 30 BEEDMP C#CCCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001275975983 984760434 /nfs/dbraw/zinc/76/04/34/984760434.db2.gz UZMPQJRLMZWPTL-UHFFFAOYSA-N 2 1 234.387 2.208 20 30 BEEDMP CC(C)[NH+]1CCC([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001257222242 984853183 /nfs/dbraw/zinc/85/31/83/984853183.db2.gz YRQJAJFSVIUJSB-UHFFFAOYSA-N 2 1 249.402 2.485 20 30 BEEDMP C#CCCCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000686675323 985198467 /nfs/dbraw/zinc/19/84/67/985198467.db2.gz OTPNMCJGKFKVDJ-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CCCCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000686675323 985198473 /nfs/dbraw/zinc/19/84/73/985198473.db2.gz OTPNMCJGKFKVDJ-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CCCCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000686675323 985198477 /nfs/dbraw/zinc/19/84/77/985198477.db2.gz OTPNMCJGKFKVDJ-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CCCCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000686675323 985198481 /nfs/dbraw/zinc/19/84/81/985198481.db2.gz OTPNMCJGKFKVDJ-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC1CCCC1 ZINC000689806519 985305956 /nfs/dbraw/zinc/30/59/56/985305956.db2.gz JELMQEDPFBKRSA-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC1CCCC1 ZINC000689806519 985305972 /nfs/dbraw/zinc/30/59/72/985305972.db2.gz JELMQEDPFBKRSA-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP Cc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1C#N ZINC001579601391 986094039 /nfs/dbraw/zinc/09/40/39/986094039.db2.gz PZVSHZJKIGQJQE-AWEZNQCLSA-N 2 1 245.370 2.330 20 30 BEEDMP C=CC[N@H+](CC1CC[NH+](CC)CC1)C1CC1 ZINC001462063027 986278499 /nfs/dbraw/zinc/27/84/99/986278499.db2.gz NSNCOFMLBKIVDM-UHFFFAOYSA-N 2 1 222.376 2.369 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669352 986720541 /nfs/dbraw/zinc/72/05/41/986720541.db2.gz RINXBGDARFUTBA-OCCSQVGLSA-N 2 1 235.375 2.095 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669352 986720549 /nfs/dbraw/zinc/72/05/49/986720549.db2.gz RINXBGDARFUTBA-OCCSQVGLSA-N 2 1 235.375 2.095 20 30 BEEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[NH2+]1 ZINC001245980865 987255688 /nfs/dbraw/zinc/25/56/88/987255688.db2.gz JFVFZCJAPAGLRX-KBPBESRZSA-N 2 1 242.407 2.049 20 30 BEEDMP CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CC[NH2+]1 ZINC001245980875 987256978 /nfs/dbraw/zinc/25/69/78/987256978.db2.gz JFVFZCJAPAGLRX-ZIAGYGMSSA-N 2 1 242.407 2.049 20 30 BEEDMP CCCCCCCC[C@H](O)C[NH2+][C@H](CC)C[NH3+] ZINC001246000607 987287702 /nfs/dbraw/zinc/28/77/02/987287702.db2.gz LPCGXAMDBLQODF-KGLIPLIRSA-N 2 1 244.423 2.425 20 30 BEEDMP CCCCCCC[N@@H+](CC)C[C@@]1(O)CC[NH2+]C1 ZINC001246043489 987339834 /nfs/dbraw/zinc/33/98/34/987339834.db2.gz LJFNRENIACMYQM-CQSZACIVSA-N 2 1 242.407 2.003 20 30 BEEDMP CCCCCCCC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246061630 987352303 /nfs/dbraw/zinc/35/23/03/987352303.db2.gz ZLYSAZOTEBKNKB-UONOGXRCSA-N 2 1 244.423 2.377 20 30 BEEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246061630 987352310 /nfs/dbraw/zinc/35/23/10/987352310.db2.gz ZLYSAZOTEBKNKB-UONOGXRCSA-N 2 1 244.423 2.377 20 30 BEEDMP C[C@@H]1CC[C@@H]([NH2+]C23CCC(C#N)(CC2)CC3)C[NH2+]1 ZINC001246264656 987658300 /nfs/dbraw/zinc/65/83/00/987658300.db2.gz NZFUGOJPUALYBM-LMRVLLHPSA-N 2 1 247.386 2.333 20 30 BEEDMP C[C@]1(C[NH3+])CCCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001246578843 988101679 /nfs/dbraw/zinc/10/16/79/988101679.db2.gz CXCZNVXHPPEERC-BFHYXJOUSA-N 2 1 235.375 2.130 20 30 BEEDMP N#CC1CCC([N@@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246642744 988351069 /nfs/dbraw/zinc/35/10/69/988351069.db2.gz JKQUOROXSHFWPR-NRXISQOPSA-N 2 1 247.386 2.287 20 30 BEEDMP N#CC1CCC([N@H+]2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246642744 988351082 /nfs/dbraw/zinc/35/10/82/988351082.db2.gz JKQUOROXSHFWPR-NRXISQOPSA-N 2 1 247.386 2.287 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+](C)[C@@H]3[C@H]4C[NH2+]C[C@H]43)C[C@H](C1)C2 ZINC001246948391 988788391 /nfs/dbraw/zinc/78/83/91/988788391.db2.gz PWIDIHSKTUVPEZ-GNLMYTDNSA-N 2 1 246.398 2.271 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012521 988840163 /nfs/dbraw/zinc/84/01/63/988840163.db2.gz DWBDFJJRCJUPQU-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012521 988840165 /nfs/dbraw/zinc/84/01/65/988840165.db2.gz DWBDFJJRCJUPQU-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012524 988840844 /nfs/dbraw/zinc/84/08/44/988840844.db2.gz DWBDFJJRCJUPQU-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012524 988840845 /nfs/dbraw/zinc/84/08/45/988840845.db2.gz DWBDFJJRCJUPQU-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP C#CC[N@@H+](CCC[NH+](CC)CC)CC1CC1 ZINC001324563608 988874923 /nfs/dbraw/zinc/87/49/23/988874923.db2.gz MGLKTSAFYYYMNW-UHFFFAOYSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CC[N@H+](CCC[NH+](CC)CC)CC1CC1 ZINC001324563608 988874924 /nfs/dbraw/zinc/87/49/24/988874924.db2.gz MGLKTSAFYYYMNW-UHFFFAOYSA-N 2 1 222.376 2.064 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258725944 991668658 /nfs/dbraw/zinc/66/86/58/991668658.db2.gz CHSCQZDNVHJWQY-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258725944 991668664 /nfs/dbraw/zinc/66/86/64/991668664.db2.gz CHSCQZDNVHJWQY-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258725944 991668668 /nfs/dbraw/zinc/66/86/68/991668668.db2.gz CHSCQZDNVHJWQY-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001258731572 991672326 /nfs/dbraw/zinc/67/23/26/991672326.db2.gz CDKVJHUWWAIVPD-GFCCVEGCSA-N 2 1 219.332 2.096 20 30 BEEDMP C=CCC[C@@H](C)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001258731572 991672333 /nfs/dbraw/zinc/67/23/33/991672333.db2.gz CDKVJHUWWAIVPD-GFCCVEGCSA-N 2 1 219.332 2.096 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001258733457 991679518 /nfs/dbraw/zinc/67/95/18/991679518.db2.gz GJNLCQDZNKHRRS-MELADBBJSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001258735971 991683932 /nfs/dbraw/zinc/68/39/32/991683932.db2.gz GZVOXECAGSRDEM-MELADBBJSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258735971 991683942 /nfs/dbraw/zinc/68/39/42/991683942.db2.gz GZVOXECAGSRDEM-MELADBBJSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001258735971 991683946 /nfs/dbraw/zinc/68/39/46/991683946.db2.gz GZVOXECAGSRDEM-MELADBBJSA-N 2 1 222.376 2.225 20 30 BEEDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CCC#N ZINC001258906217 991894878 /nfs/dbraw/zinc/89/48/78/991894878.db2.gz AGXPIBJCXMOZAL-CYBMUJFWSA-N 2 1 225.380 2.342 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001321355335 992521649 /nfs/dbraw/zinc/52/16/49/992521649.db2.gz OMLMGVVZLHRLKW-MJBXVCDLSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001262031416 992619558 /nfs/dbraw/zinc/61/95/58/992619558.db2.gz QUPKBNUBYYJNGK-CYBMUJFWSA-N 2 1 222.376 2.417 20 30 BEEDMP CC(C)CC[N@@H+](CCC#N)CC1CC[NH2+]CC1 ZINC001573510870 992625726 /nfs/dbraw/zinc/62/57/26/992625726.db2.gz FZNRKAUADPSXOY-UHFFFAOYSA-N 2 1 237.391 2.248 20 30 BEEDMP C#CCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001574545103 992876559 /nfs/dbraw/zinc/87/65/59/992876559.db2.gz NCDYGHODCBQFEO-UHFFFAOYSA-N 2 1 234.387 2.256 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001574916268 992947516 /nfs/dbraw/zinc/94/75/16/992947516.db2.gz WHASOMOGMASMAQ-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576923417 993454459 /nfs/dbraw/zinc/45/44/59/993454459.db2.gz LVORJXYYSSNRIB-CQSZACIVSA-N 2 1 234.387 2.254 20 30 BEEDMP CCC(CC)(C[NH3+])C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001577051609 993491149 /nfs/dbraw/zinc/49/11/49/993491149.db2.gz VWFMDHVBZNSJOO-ZDUSSCGKSA-N 2 1 237.391 2.377 20 30 BEEDMP C=CCCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424294336 398181236 /nfs/dbraw/zinc/18/12/36/398181236.db2.gz PZUGMOODUYXOKL-ZDUSSCGKSA-N 2 1 222.376 2.417 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000602444005 349545598 /nfs/dbraw/zinc/54/55/98/349545598.db2.gz IJKDCMMRGHVXGX-ZIAGYGMSSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000602444005 349545601 /nfs/dbraw/zinc/54/56/01/349545601.db2.gz IJKDCMMRGHVXGX-ZIAGYGMSSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000602444005 349545604 /nfs/dbraw/zinc/54/56/04/349545604.db2.gz IJKDCMMRGHVXGX-ZIAGYGMSSA-N 2 1 237.391 2.200 20 30 BEEDMP N#CC1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000602514572 349586783 /nfs/dbraw/zinc/58/67/83/349586783.db2.gz NXLLOALMNJPUBU-CVSAEHQPSA-N 2 1 247.386 2.285 20 30 BEEDMP N#CC1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000602514572 349586785 /nfs/dbraw/zinc/58/67/85/349586785.db2.gz NXLLOALMNJPUBU-CVSAEHQPSA-N 2 1 247.386 2.285 20 30 BEEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000602558795 349598624 /nfs/dbraw/zinc/59/86/24/349598624.db2.gz FGUSNSVQIBYNQN-ABXWRUBCSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000602558795 349598626 /nfs/dbraw/zinc/59/86/26/349598626.db2.gz FGUSNSVQIBYNQN-ABXWRUBCSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000602558800 349598839 /nfs/dbraw/zinc/59/88/39/349598839.db2.gz FGUSNSVQIBYNQN-RYSNWHEDSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000602558800 349598842 /nfs/dbraw/zinc/59/88/42/349598842.db2.gz FGUSNSVQIBYNQN-RYSNWHEDSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000602558798 349599345 /nfs/dbraw/zinc/59/93/45/349599345.db2.gz FGUSNSVQIBYNQN-GFJIZPEISA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000602558798 349599347 /nfs/dbraw/zinc/59/93/47/349599347.db2.gz FGUSNSVQIBYNQN-GFJIZPEISA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[C@H](NCc2cc(C#N)cs2)CC[N@H+]1C ZINC000093492698 361864799 /nfs/dbraw/zinc/86/47/99/361864799.db2.gz CPIAKABGGVTTSI-CMPLNLGQSA-N 2 1 249.383 2.192 20 30 BEEDMP C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CCN1C ZINC000093492698 361864804 /nfs/dbraw/zinc/86/48/04/361864804.db2.gz CPIAKABGGVTTSI-CMPLNLGQSA-N 2 1 249.383 2.192 20 30 BEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000390798772 398315461 /nfs/dbraw/zinc/31/54/61/398315461.db2.gz VRLAQLJJDIFDBT-CYBMUJFWSA-N 2 1 208.349 2.028 20 30 BEEDMP C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000602638261 349652482 /nfs/dbraw/zinc/65/24/82/349652482.db2.gz OTFVQVHRENEXRN-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000602677216 349670108 /nfs/dbraw/zinc/67/01/08/349670108.db2.gz WZWFGFIYYUCEMV-CABCVRRESA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000602677216 349670109 /nfs/dbraw/zinc/67/01/09/349670109.db2.gz WZWFGFIYYUCEMV-CABCVRRESA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000602677216 349670110 /nfs/dbraw/zinc/67/01/10/349670110.db2.gz WZWFGFIYYUCEMV-CABCVRRESA-N 2 1 249.402 2.344 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602661888 349682346 /nfs/dbraw/zinc/68/23/46/349682346.db2.gz HXOBJICARCWLIS-ZDUSSCGKSA-N 2 1 248.374 2.453 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](C)CCC#N ZINC000602661888 349682347 /nfs/dbraw/zinc/68/23/47/349682347.db2.gz HXOBJICARCWLIS-ZDUSSCGKSA-N 2 1 248.374 2.453 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602824185 349764290 /nfs/dbraw/zinc/76/42/90/349764290.db2.gz XVVRNVUNGLWXIT-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000602824185 349764292 /nfs/dbraw/zinc/76/42/92/349764292.db2.gz XVVRNVUNGLWXIT-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339012283 136279827 /nfs/dbraw/zinc/27/98/27/136279827.db2.gz JIPZDTCWVUWAOR-KKUMJFAQSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339012283 136279828 /nfs/dbraw/zinc/27/98/28/136279828.db2.gz JIPZDTCWVUWAOR-KKUMJFAQSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC1([NH+](C)C)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000602966834 349827283 /nfs/dbraw/zinc/82/72/83/349827283.db2.gz SJDOXCNSPSJWNP-CYBMUJFWSA-N 2 1 237.391 2.485 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000258751959 344498452 /nfs/dbraw/zinc/49/84/52/344498452.db2.gz JKYMFBKVSXUFIQ-MOKVOYLWSA-N 2 1 235.375 2.000 20 30 BEEDMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](CC#N)C1 ZINC000260227236 344738712 /nfs/dbraw/zinc/73/87/12/344738712.db2.gz WGMOWCAFQJITSU-GJZGRUSLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CC#N)C1 ZINC000260227236 344738715 /nfs/dbraw/zinc/73/87/15/344738715.db2.gz WGMOWCAFQJITSU-GJZGRUSLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000260227236 344738722 /nfs/dbraw/zinc/73/87/22/344738722.db2.gz WGMOWCAFQJITSU-GJZGRUSLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000070074523 345329683 /nfs/dbraw/zinc/32/96/83/345329683.db2.gz GPWYBPFGACVQFX-DOMZBBRYSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@H]1CC[N@@H+](CCCC#N)C[C@@H]1n1ccnc1 ZINC000136094419 345475437 /nfs/dbraw/zinc/47/54/37/345475437.db2.gz QGQGXFQNKHMABN-STQMWFEESA-N 2 1 232.331 2.070 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161646007 346354135 /nfs/dbraw/zinc/35/41/35/346354135.db2.gz WTQZSEYGIKHMEH-RWMBFGLXSA-N 2 1 208.349 2.167 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000364862604 347572744 /nfs/dbraw/zinc/57/27/44/347572744.db2.gz REWPCYWVLTYFOO-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000596650384 348605197 /nfs/dbraw/zinc/60/51/97/348605197.db2.gz HTLJYMFDYOPYSR-NEPJUHHUSA-N 2 1 223.364 2.176 20 30 BEEDMP N#CC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000596653882 348607793 /nfs/dbraw/zinc/60/77/93/348607793.db2.gz XOQHZNZAWXILEL-OLZOCXBDSA-N 2 1 235.375 2.177 20 30 BEEDMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000598982582 349076485 /nfs/dbraw/zinc/07/64/85/349076485.db2.gz JXJKRNQJCSFLHV-YNEHKIRRSA-N 2 1 235.375 2.141 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222077005 259408619 /nfs/dbraw/zinc/40/86/19/259408619.db2.gz UGVSMBACQMQWFZ-RWMBFGLXSA-N 2 1 210.365 2.271 20 30 BEEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538727 362958704 /nfs/dbraw/zinc/95/87/04/362958704.db2.gz RVAANLUTKZWEFQ-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP C[N@H+]1CC[C@]2(CC[NH+](CC(C)(C)CCC#N)C2)C1 ZINC000366493666 350823882 /nfs/dbraw/zinc/82/38/82/350823882.db2.gz YZCYPJJCTCMWOM-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000366493666 350823884 /nfs/dbraw/zinc/82/38/84/350823884.db2.gz YZCYPJJCTCMWOM-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000366493666 350823887 /nfs/dbraw/zinc/82/38/87/350823887.db2.gz YZCYPJJCTCMWOM-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(C)(C#N)CC1 ZINC000272522219 351482391 /nfs/dbraw/zinc/48/23/91/351482391.db2.gz HKRAHFUBSHPLMN-UHFFFAOYSA-N 2 1 246.358 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000278276708 351754247 /nfs/dbraw/zinc/75/42/47/351754247.db2.gz PMQMYKVDXZZDEQ-KGLIPLIRSA-N 2 1 246.358 2.254 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000278276706 351754377 /nfs/dbraw/zinc/75/43/77/351754377.db2.gz PMQMYKVDXZZDEQ-KBPBESRZSA-N 2 1 246.358 2.254 20 30 BEEDMP C=CCOc1cccc(C[NH2+][C@H](C[NH3+])C2CC2)c1 ZINC000414792752 351772276 /nfs/dbraw/zinc/77/22/76/351772276.db2.gz CTVRZJRPCDNBRM-OAHLLOKOSA-N 2 1 246.354 2.078 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411439223 191186471 /nfs/dbraw/zinc/18/64/71/191186471.db2.gz DRTNDBGLIIDEJK-CYBMUJFWSA-N 2 1 235.375 2.239 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411439223 191186474 /nfs/dbraw/zinc/18/64/74/191186474.db2.gz DRTNDBGLIIDEJK-CYBMUJFWSA-N 2 1 235.375 2.239 20 30 BEEDMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000334252832 352889597 /nfs/dbraw/zinc/88/95/97/352889597.db2.gz BYQAAZPYJCPYJD-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000334252832 352889600 /nfs/dbraw/zinc/88/96/00/352889600.db2.gz BYQAAZPYJCPYJD-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CCCOCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000231800789 353662280 /nfs/dbraw/zinc/66/22/80/353662280.db2.gz NYZJLYOBGUDNBG-LSDHHAIUSA-N 2 1 246.354 2.314 20 30 BEEDMP C=CCCOCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000231800787 353662341 /nfs/dbraw/zinc/66/23/41/353662341.db2.gz NYZJLYOBGUDNBG-CABCVRRESA-N 2 1 246.354 2.314 20 30 BEEDMP C#CCCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185211421 353770181 /nfs/dbraw/zinc/77/01/81/353770181.db2.gz XXZGGSQXGDLPHL-UHFFFAOYSA-N 2 1 231.343 2.041 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CC ZINC000328268643 324368001 /nfs/dbraw/zinc/36/80/01/324368001.db2.gz NCPSBJPFUGGPRR-ZIAGYGMSSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1CC ZINC000328268643 324368005 /nfs/dbraw/zinc/36/80/05/324368005.db2.gz NCPSBJPFUGGPRR-ZIAGYGMSSA-N 2 1 222.376 2.110 20 30 BEEDMP C=C(C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000335203175 355037631 /nfs/dbraw/zinc/03/76/31/355037631.db2.gz PLIMDXCKWINVSB-FUNVUKJBSA-N 2 1 208.349 2.120 20 30 BEEDMP C=C(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352048226 134046267 /nfs/dbraw/zinc/04/62/67/134046267.db2.gz LGKGRJFQROWPEZ-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C[C@H](CCC#N)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351488724 355999227 /nfs/dbraw/zinc/99/92/27/355999227.db2.gz ASTPFNSJUVHXLJ-KGLIPLIRSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCC#N)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000351488724 355999230 /nfs/dbraw/zinc/99/92/30/355999230.db2.gz ASTPFNSJUVHXLJ-KGLIPLIRSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCC#N)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351488724 355999233 /nfs/dbraw/zinc/99/92/33/355999233.db2.gz ASTPFNSJUVHXLJ-KGLIPLIRSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@H](CCC#N)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000351488724 355999237 /nfs/dbraw/zinc/99/92/37/355999237.db2.gz ASTPFNSJUVHXLJ-KGLIPLIRSA-N 2 1 237.391 2.485 20 30 BEEDMP C=CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683223 356593480 /nfs/dbraw/zinc/59/34/80/356593480.db2.gz SGUWCZZLBZMRIY-UHFFFAOYSA-N 2 1 231.343 2.170 20 30 BEEDMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC000423262583 192658205 /nfs/dbraw/zinc/65/82/05/192658205.db2.gz MTFHRHSMXZXTMQ-ROKHWSDSSA-N 2 1 237.391 2.422 20 30 BEEDMP C[NH+](CCCC#N)CC[C@H]1CCCC[N@@H+]1C ZINC000075860019 325318162 /nfs/dbraw/zinc/31/81/62/325318162.db2.gz QTBBNNVSBDTJCO-CYBMUJFWSA-N 2 1 223.364 2.096 20 30 BEEDMP C[NH+](CCCC#N)CC[C@H]1CCCC[N@H+]1C ZINC000075860019 325318164 /nfs/dbraw/zinc/31/81/64/325318164.db2.gz QTBBNNVSBDTJCO-CYBMUJFWSA-N 2 1 223.364 2.096 20 30 BEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000129117135 358583665 /nfs/dbraw/zinc/58/36/65/358583665.db2.gz FGASJUZCYWNDEB-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000129117135 358583668 /nfs/dbraw/zinc/58/36/68/358583668.db2.gz FGASJUZCYWNDEB-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000129117135 358583670 /nfs/dbraw/zinc/58/36/70/358583670.db2.gz FGASJUZCYWNDEB-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@H](C)C#N ZINC000124994126 358530678 /nfs/dbraw/zinc/53/06/78/358530678.db2.gz PFTXIUKQFGNVOK-GFCCVEGCSA-N 2 1 234.347 2.063 20 30 BEEDMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@H](C)C#N ZINC000124994126 358530682 /nfs/dbraw/zinc/53/06/82/358530682.db2.gz PFTXIUKQFGNVOK-GFCCVEGCSA-N 2 1 234.347 2.063 20 30 BEEDMP C#CC[N@H+](C)CCCNc1cc[nH+]cc1Cl ZINC000292773093 359273958 /nfs/dbraw/zinc/27/39/58/359273958.db2.gz LFJYJMJUWNUELT-UHFFFAOYSA-N 2 1 237.734 2.102 20 30 BEEDMP C#CC[N@@H+](C)CCCNc1cc[nH+]cc1Cl ZINC000292773093 359273960 /nfs/dbraw/zinc/27/39/60/359273960.db2.gz LFJYJMJUWNUELT-UHFFFAOYSA-N 2 1 237.734 2.102 20 30 BEEDMP C=CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532957 361301250 /nfs/dbraw/zinc/30/12/50/361301250.db2.gz YXPBGQGVSDYRSO-UHFFFAOYSA-N 2 1 210.365 2.370 20 30 BEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CC[C@H](C#N)C1 ZINC000429697242 201126034 /nfs/dbraw/zinc/12/60/34/201126034.db2.gz IHPASQLALPMCLA-ZNMIVQPWSA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CC[C@H](C#N)C1 ZINC000429697242 201126037 /nfs/dbraw/zinc/12/60/37/201126037.db2.gz IHPASQLALPMCLA-ZNMIVQPWSA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CC[C@H](C#N)C1 ZINC000429697242 201126040 /nfs/dbraw/zinc/12/60/40/201126040.db2.gz IHPASQLALPMCLA-ZNMIVQPWSA-N 2 1 249.402 2.485 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000629650620 361547815 /nfs/dbraw/zinc/54/78/15/361547815.db2.gz YDLNJCSBXHPCRA-MGPQQGTHSA-N 2 1 222.376 2.273 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000629650612 361548215 /nfs/dbraw/zinc/54/82/15/361548215.db2.gz YDLNJCSBXHPCRA-BFHYXJOUSA-N 2 1 222.376 2.273 20 30 BEEDMP C=CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173871664 365451742 /nfs/dbraw/zinc/45/17/42/365451742.db2.gz QLTIPIFBMSZWFL-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001642281071 1172339314 /nfs/dbraw/zinc/33/93/14/1172339314.db2.gz DIUCVLZTFXZMQR-AWEZNQCLSA-N 2 1 243.354 2.006 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000385505463 367839071 /nfs/dbraw/zinc/83/90/71/367839071.db2.gz QVFHAEJJVYDHOM-NEPJUHHUSA-N 2 1 210.365 2.271 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000618887760 369235681 /nfs/dbraw/zinc/23/56/81/369235681.db2.gz HMKDYTCSAOHOIA-MGPQQGTHSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000618887760 369235684 /nfs/dbraw/zinc/23/56/84/369235684.db2.gz HMKDYTCSAOHOIA-MGPQQGTHSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000618887760 369235686 /nfs/dbraw/zinc/23/56/86/369235686.db2.gz HMKDYTCSAOHOIA-MGPQQGTHSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000618887760 369235688 /nfs/dbraw/zinc/23/56/88/369235688.db2.gz HMKDYTCSAOHOIA-MGPQQGTHSA-N 2 1 237.391 2.341 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000459798789 203373414 /nfs/dbraw/zinc/37/34/14/203373414.db2.gz XXSNZBAVGHFUOL-MGPQQGTHSA-N 2 1 235.375 2.000 20 30 BEEDMP Cc1ccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)cc1C#N ZINC000600699439 369558033 /nfs/dbraw/zinc/55/80/33/369558033.db2.gz AMTNFQPDXLIGDH-HNNXBMFYSA-N 2 1 245.370 2.330 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1C#N ZINC000600709662 369559924 /nfs/dbraw/zinc/55/99/24/369559924.db2.gz PHRBBDGULVPNTR-TZMCWYRMSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C#N ZINC000600711089 369561083 /nfs/dbraw/zinc/56/10/83/369561083.db2.gz QXFDDWSWFGUVED-DOMZBBRYSA-N 2 1 243.354 2.178 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1C#N ZINC000600711089 369561085 /nfs/dbraw/zinc/56/10/85/369561085.db2.gz QXFDDWSWFGUVED-DOMZBBRYSA-N 2 1 243.354 2.178 20 30 BEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170519 371012301 /nfs/dbraw/zinc/01/23/01/371012301.db2.gz JFMNKXZBNLYFMV-CYBMUJFWSA-N 2 1 243.354 2.119 20 30 BEEDMP N#Cc1ccccc1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170520 371012621 /nfs/dbraw/zinc/01/26/21/371012621.db2.gz JFMNKXZBNLYFMV-ZDUSSCGKSA-N 2 1 243.354 2.119 20 30 BEEDMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000424381302 206038446 /nfs/dbraw/zinc/03/84/46/206038446.db2.gz YIUKZEABMBVAJY-NILFDRSVSA-N 2 1 243.354 2.479 20 30 BEEDMP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000335026065 384011799 /nfs/dbraw/zinc/01/17/99/384011799.db2.gz VRZTWAGGEOOWFL-CQSZACIVSA-N 2 1 241.338 2.017 20 30 BEEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185810527 134390786 /nfs/dbraw/zinc/39/07/86/134390786.db2.gz GMCGZXAMTSWNKG-MELADBBJSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185810527 134390788 /nfs/dbraw/zinc/39/07/88/134390788.db2.gz GMCGZXAMTSWNKG-MELADBBJSA-N 2 1 237.391 2.389 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000375843583 533033900 /nfs/dbraw/zinc/03/39/00/533033900.db2.gz YDWFWTQKYMQPBM-ZNMIVQPWSA-N 2 1 234.387 2.252 20 30 BEEDMP C=C(CC)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000313492220 384421814 /nfs/dbraw/zinc/42/18/14/384421814.db2.gz MPTVNXFPBIQYKI-UHFFFAOYSA-N 2 1 208.349 2.169 20 30 BEEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC#N ZINC000566106105 384451444 /nfs/dbraw/zinc/45/14/44/384451444.db2.gz GTNIJMURERYOGU-CYBMUJFWSA-N 2 1 223.364 2.144 20 30 BEEDMP CCC[N@H+](CC)CCN[C@@H]1CC[C@@H](C#N)C1 ZINC000310029588 384812812 /nfs/dbraw/zinc/81/28/12/384812812.db2.gz QRGDMVNEAHPPIN-CHWSQXEVSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@@H+](CC)CCN[C@@H]1CC[C@@H](C#N)C1 ZINC000310029588 384812817 /nfs/dbraw/zinc/81/28/17/384812817.db2.gz QRGDMVNEAHPPIN-CHWSQXEVSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310029588 384812823 /nfs/dbraw/zinc/81/28/23/384812823.db2.gz QRGDMVNEAHPPIN-CHWSQXEVSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310029588 384812827 /nfs/dbraw/zinc/81/28/27/384812827.db2.gz QRGDMVNEAHPPIN-CHWSQXEVSA-N 2 1 223.364 2.000 20 30 BEEDMP CC(C)(C#N)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000119675577 384940105 /nfs/dbraw/zinc/94/01/05/384940105.db2.gz XQMNHYXPEQRHCG-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP C=CC[N@@H+](C)[C@H]1CCC[NH+](CC=C)CC1 ZINC000156948724 385029538 /nfs/dbraw/zinc/02/95/38/385029538.db2.gz AAXRPHPHOOMGNA-ZDUSSCGKSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[N@H+](C)[C@H]1CCC[NH+](CC=C)CC1 ZINC000156948724 385029546 /nfs/dbraw/zinc/02/95/46/385029546.db2.gz AAXRPHPHOOMGNA-ZDUSSCGKSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[NH+](C)[C@H]1CCC[N@H+](CC=C)CC1 ZINC000156948724 385029551 /nfs/dbraw/zinc/02/95/51/385029551.db2.gz AAXRPHPHOOMGNA-ZDUSSCGKSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[NH+](C)[C@H]1CCC[N@@H+](CC=C)CC1 ZINC000156948724 385029557 /nfs/dbraw/zinc/02/95/57/385029557.db2.gz AAXRPHPHOOMGNA-ZDUSSCGKSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000161678773 385444719 /nfs/dbraw/zinc/44/47/19/385444719.db2.gz RUOCIDQGACYFNZ-MROQNXINSA-N 2 1 210.365 2.269 20 30 BEEDMP C=CCOc1ccccc1C[NH2+]C[C@H](C)C[NH2+]C ZINC000414850246 385632099 /nfs/dbraw/zinc/63/20/99/385632099.db2.gz ZDGBOTOHKODGTJ-CYBMUJFWSA-N 2 1 248.370 2.197 20 30 BEEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647879489 386180552 /nfs/dbraw/zinc/18/05/52/386180552.db2.gz ARVRAVATHAVBNB-OAHLLOKOSA-N 2 1 230.355 2.284 20 30 BEEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647879489 386180557 /nfs/dbraw/zinc/18/05/57/386180557.db2.gz ARVRAVATHAVBNB-OAHLLOKOSA-N 2 1 230.355 2.284 20 30 BEEDMP C=C[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414757858 386406318 /nfs/dbraw/zinc/40/63/18/386406318.db2.gz LWLUXHYNQADEFE-QWHCGFSZSA-N 2 1 210.365 2.400 20 30 BEEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000414757858 386406323 /nfs/dbraw/zinc/40/63/23/386406323.db2.gz LWLUXHYNQADEFE-QWHCGFSZSA-N 2 1 210.365 2.400 20 30 BEEDMP C=CCOc1cccc(C[N@H+](C)C2CC([NH3+])C2)c1 ZINC000414770272 386455964 /nfs/dbraw/zinc/45/59/64/386455964.db2.gz LQJISQWTWUNPAW-UHFFFAOYSA-N 2 1 246.354 2.173 20 30 BEEDMP C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975493 386565740 /nfs/dbraw/zinc/56/57/40/386565740.db2.gz BASDXGHJPFXNOW-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@@](C)(CC)OC)CC1 ZINC000638524653 386856216 /nfs/dbraw/zinc/85/62/16/386856216.db2.gz QJXZHJKZCUKRKB-CQSZACIVSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CCC[C@H]([NH2+]CC1C[NH2+]C1)c1ccco1 ZINC000423303615 387136581 /nfs/dbraw/zinc/13/65/81/387136581.db2.gz MBTFULFRTSQSKA-LBPRGKRZSA-N 2 1 220.316 2.096 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423355450 387205407 /nfs/dbraw/zinc/20/54/07/387205407.db2.gz FNGVNAAPKFGTKD-FRRDWIJNSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423357525 387208309 /nfs/dbraw/zinc/20/83/09/387208309.db2.gz IFANLGGGRRHUIM-RNJOBUHISA-N 2 1 210.365 2.175 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000459730059 387274945 /nfs/dbraw/zinc/27/49/45/387274945.db2.gz LGTLJSQJFPNEMY-QWHCGFSZSA-N 2 1 237.391 2.246 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423503976 387342302 /nfs/dbraw/zinc/34/23/02/387342302.db2.gz NGFJVHHNRQIVRN-KWCYVHTRSA-N 2 1 235.375 2.176 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422983294 387794267 /nfs/dbraw/zinc/79/42/67/387794267.db2.gz SQUUCXRQVCNORW-GZBFAFLISA-N 2 1 232.371 2.499 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423132018 387909160 /nfs/dbraw/zinc/90/91/60/387909160.db2.gz IROZAAFMCHMUQO-NEPJUHHUSA-N 2 1 210.365 2.176 20 30 BEEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423155887 387934474 /nfs/dbraw/zinc/93/44/74/387934474.db2.gz RKIQZZYDRKQBFR-YJNKXOJESA-N 2 1 244.338 2.064 20 30 BEEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177122 387963388 /nfs/dbraw/zinc/96/33/88/387963388.db2.gz AHBLVEXBBNGSFC-QWHCGFSZSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCC[C@@H](CCC)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423177120 387963710 /nfs/dbraw/zinc/96/37/10/387963710.db2.gz AHBLVEXBBNGSFC-CHWSQXEVSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420398664 387998043 /nfs/dbraw/zinc/99/80/43/387998043.db2.gz NOJDHRBUIXSHGS-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289820 388035924 /nfs/dbraw/zinc/03/59/24/388035924.db2.gz JFVIIJCVCJFFHA-CAEXGNQWSA-N 2 1 249.402 2.387 20 30 BEEDMP C=CCCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423281331 388064233 /nfs/dbraw/zinc/06/42/33/388064233.db2.gz UHGALOICSACAGU-AAEUAGOBSA-N 2 1 210.365 2.448 20 30 BEEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423266469 388046276 /nfs/dbraw/zinc/04/62/76/388046276.db2.gz SCPGFIQKMIFAFK-YNEHKIRRSA-N 2 1 223.364 2.032 20 30 BEEDMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449089072 388140775 /nfs/dbraw/zinc/14/07/75/388140775.db2.gz IVTHOVCJDYQEOG-NFOMZHRRSA-N 2 1 249.402 2.390 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000449473311 388213575 /nfs/dbraw/zinc/21/35/75/388213575.db2.gz HPHVJUDNMCAKRI-QWHCGFSZSA-N 2 1 210.365 2.273 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000491699461 388312468 /nfs/dbraw/zinc/31/24/68/388312468.db2.gz NOQKYOKDXFRMJB-AWEZNQCLSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC12CCCC2 ZINC000491699461 388312469 /nfs/dbraw/zinc/31/24/69/388312469.db2.gz NOQKYOKDXFRMJB-AWEZNQCLSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000491804295 388321885 /nfs/dbraw/zinc/32/18/85/388321885.db2.gz LMSRHIKUENAQKW-HNNXBMFYSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000491804295 388321886 /nfs/dbraw/zinc/32/18/86/388321886.db2.gz LMSRHIKUENAQKW-HNNXBMFYSA-N 2 1 234.387 2.110 20 30 BEEDMP C=CCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397310581 388457876 /nfs/dbraw/zinc/45/78/76/388457876.db2.gz OREKIBAZYSQWMR-AGIUHOORSA-N 2 1 210.365 2.258 20 30 BEEDMP C=C(C)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081568786 388584440 /nfs/dbraw/zinc/58/44/40/388584440.db2.gz BRBBWIYYJFXPER-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423269803 388690352 /nfs/dbraw/zinc/69/03/52/388690352.db2.gz HQAFCOGSSFCGTR-FZMZJTMJSA-N 2 1 231.343 2.192 20 30 BEEDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335516796 133872776 /nfs/dbraw/zinc/87/27/76/133872776.db2.gz UQGRXOGMJHCCBU-ZIHBUVQPSA-N 2 1 235.375 2.046 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCC#N)CC1 ZINC000370664541 134226541 /nfs/dbraw/zinc/22/65/41/134226541.db2.gz IANBIRYCVFYWOA-CYBMUJFWSA-N 2 1 223.364 2.096 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000373023711 134233301 /nfs/dbraw/zinc/23/33/01/134233301.db2.gz LXLBXTZUKIEZNJ-LXTVHRRPSA-N 2 1 247.386 2.285 20 30 BEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000220902711 134315121 /nfs/dbraw/zinc/31/51/21/134315121.db2.gz FGASJUZCYWNDEB-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000220902711 134315122 /nfs/dbraw/zinc/31/51/22/134315122.db2.gz FGASJUZCYWNDEB-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@@H]21 ZINC000220902711 134315123 /nfs/dbraw/zinc/31/51/23/134315123.db2.gz FGASJUZCYWNDEB-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250520243 135056355 /nfs/dbraw/zinc/05/63/55/135056355.db2.gz KOJSDXYFYMKSSY-OLZOCXBDSA-N 2 1 208.349 2.169 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000293840908 135183466 /nfs/dbraw/zinc/18/34/66/135183466.db2.gz QNYCACOCILJWRO-KBPBESRZSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000293840908 135183468 /nfs/dbraw/zinc/18/34/68/135183468.db2.gz QNYCACOCILJWRO-KBPBESRZSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293840912 135183922 /nfs/dbraw/zinc/18/39/22/135183922.db2.gz QNYCACOCILJWRO-KGLIPLIRSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293840912 135183924 /nfs/dbraw/zinc/18/39/24/135183924.db2.gz QNYCACOCILJWRO-KGLIPLIRSA-N 2 1 246.358 2.206 20 30 BEEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000341891242 135244479 /nfs/dbraw/zinc/24/44/79/135244479.db2.gz CEFJLMXUDSNEEJ-QKPAOTATSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000341891242 135244481 /nfs/dbraw/zinc/24/44/81/135244481.db2.gz CEFJLMXUDSNEEJ-QKPAOTATSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2C)[C@@H]1C ZINC000341891242 135244482 /nfs/dbraw/zinc/24/44/82/135244482.db2.gz CEFJLMXUDSNEEJ-QKPAOTATSA-N 2 1 248.414 2.450 20 30 BEEDMP C#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268700910 135363748 /nfs/dbraw/zinc/36/37/48/135363748.db2.gz BRFUXSUZMVTZNV-GDBMZVCRSA-N 2 1 242.366 2.120 20 30 BEEDMP C#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268700910 135363750 /nfs/dbraw/zinc/36/37/50/135363750.db2.gz BRFUXSUZMVTZNV-GDBMZVCRSA-N 2 1 242.366 2.120 20 30 BEEDMP C=CCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081517048 135387624 /nfs/dbraw/zinc/38/76/24/135387624.db2.gz YIPQTHFZWWEORA-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081517048 135387625 /nfs/dbraw/zinc/38/76/25/135387625.db2.gz YIPQTHFZWWEORA-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081517048 135387626 /nfs/dbraw/zinc/38/76/26/135387626.db2.gz YIPQTHFZWWEORA-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081517049 135387749 /nfs/dbraw/zinc/38/77/49/135387749.db2.gz YIPQTHFZWWEORA-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081517049 135387751 /nfs/dbraw/zinc/38/77/51/135387751.db2.gz YIPQTHFZWWEORA-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081517049 135387753 /nfs/dbraw/zinc/38/77/53/135387753.db2.gz YIPQTHFZWWEORA-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCOc1cccc(C[NH+]2CCC([NH3+])CC2)c1 ZINC000346652287 135945203 /nfs/dbraw/zinc/94/52/03/135945203.db2.gz QIQMPLNLTXQQML-UHFFFAOYSA-N 2 1 246.354 2.175 20 30 BEEDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492390 398003482 /nfs/dbraw/zinc/00/34/82/398003482.db2.gz SNWYVRNEHVDKRH-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492390 398003483 /nfs/dbraw/zinc/00/34/83/398003483.db2.gz SNWYVRNEHVDKRH-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP Cc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1C#N ZINC000443976478 398086092 /nfs/dbraw/zinc/08/60/92/398086092.db2.gz AJNJGAXPPYTQSG-ZDUSSCGKSA-N 2 1 245.370 2.297 20 30 BEEDMP C=CCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295930 412084314 /nfs/dbraw/zinc/08/43/14/412084314.db2.gz IWGQHMKMPWDROE-AWEZNQCLSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662299182 412086820 /nfs/dbraw/zinc/08/68/20/412086820.db2.gz LQIVGICBHKCHHW-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662299181 412087255 /nfs/dbraw/zinc/08/72/55/412087255.db2.gz LQIVGICBHKCHHW-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP CC#CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000159730854 323045276 /nfs/dbraw/zinc/04/52/76/323045276.db2.gz MISJQABKFJGIJA-KBPBESRZSA-N 2 1 234.387 2.252 20 30 BEEDMP C[N@H+](CCCC#N)CC[C@H]1CCCC[NH+]1C ZINC000075860019 325318157 /nfs/dbraw/zinc/31/81/57/325318157.db2.gz QTBBNNVSBDTJCO-CYBMUJFWSA-N 2 1 223.364 2.096 20 30 BEEDMP C[N@@H+](CCCC#N)CC[C@H]1CCCC[NH+]1C ZINC000075860019 325318159 /nfs/dbraw/zinc/31/81/59/325318159.db2.gz QTBBNNVSBDTJCO-CYBMUJFWSA-N 2 1 223.364 2.096 20 30 BEEDMP C[N@@H+](CCCCC#N)CC[C@@H]1CCCC[NH+]1C ZINC000075861080 325318444 /nfs/dbraw/zinc/31/84/44/325318444.db2.gz WGVDCWWAGQWCAK-AWEZNQCLSA-N 2 1 237.391 2.486 20 30 BEEDMP C[NH+](CCCCC#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861080 325318447 /nfs/dbraw/zinc/31/84/47/325318447.db2.gz WGVDCWWAGQWCAK-AWEZNQCLSA-N 2 1 237.391 2.486 20 30 BEEDMP C[NH+](CCCCC#N)CC[C@@H]1CCCC[N@H+]1C ZINC000075861080 325318448 /nfs/dbraw/zinc/31/84/48/325318448.db2.gz WGVDCWWAGQWCAK-AWEZNQCLSA-N 2 1 237.391 2.486 20 30 BEEDMP CC#CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000547318066 325340013 /nfs/dbraw/zinc/34/00/13/325340013.db2.gz WGXITYHVNRMAIB-UHFFFAOYSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228137 488134796 /nfs/dbraw/zinc/13/47/96/488134796.db2.gz VQIPNCOICGWPSI-KGLIPLIRSA-N 2 1 222.376 2.204 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228137 488134800 /nfs/dbraw/zinc/13/48/00/488134800.db2.gz VQIPNCOICGWPSI-KGLIPLIRSA-N 2 1 222.376 2.204 20 30 BEEDMP C=C(CC)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000358611526 534372518 /nfs/dbraw/zinc/37/25/18/534372518.db2.gz HTRCKGIMUQIPTG-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=C(CC)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000358611526 534372523 /nfs/dbraw/zinc/37/25/23/534372523.db2.gz HTRCKGIMUQIPTG-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=C(CC)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358514327 534373663 /nfs/dbraw/zinc/37/36/63/534373663.db2.gz WAEBTLGDIVXFQD-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358514327 534373669 /nfs/dbraw/zinc/37/36/69/534373669.db2.gz WAEBTLGDIVXFQD-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358514327 534373674 /nfs/dbraw/zinc/37/36/74/534373674.db2.gz WAEBTLGDIVXFQD-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358514327 534373682 /nfs/dbraw/zinc/37/36/82/534373682.db2.gz WAEBTLGDIVXFQD-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173950986 527321495 /nfs/dbraw/zinc/32/14/95/527321495.db2.gz XJKLHTPQPCQQOQ-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173950986 527321504 /nfs/dbraw/zinc/32/15/04/527321504.db2.gz XJKLHTPQPCQQOQ-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173950986 527321510 /nfs/dbraw/zinc/32/15/10/527321510.db2.gz XJKLHTPQPCQQOQ-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000353576060 535018143 /nfs/dbraw/zinc/01/81/43/535018143.db2.gz MREPTWJNWPDLHM-MGPQQGTHSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000353576060 535018147 /nfs/dbraw/zinc/01/81/47/535018147.db2.gz MREPTWJNWPDLHM-MGPQQGTHSA-N 2 1 237.391 2.387 20 30 BEEDMP C[N@H+](CCC[NH+]1CCCC1)CCC(C)(C)C#N ZINC000337204596 536346380 /nfs/dbraw/zinc/34/63/80/536346380.db2.gz HZGSBKJWMRGZPA-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP C[N@@H+](CCC[NH+]1CCCC1)CCC(C)(C)C#N ZINC000337204596 536346384 /nfs/dbraw/zinc/34/63/84/536346384.db2.gz HZGSBKJWMRGZPA-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000852748796 583015845 /nfs/dbraw/zinc/01/58/45/583015845.db2.gz DVAYBLHXLLTFTN-RYUDHWBXSA-N 2 1 228.767 2.060 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895560798 583690957 /nfs/dbraw/zinc/69/09/57/583690957.db2.gz SXSZBCYKPPLGBK-CYBMUJFWSA-N 2 1 222.376 2.226 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000872140426 583947692 /nfs/dbraw/zinc/94/76/92/583947692.db2.gz MRHULAIYOBERHW-KLHDSHLOSA-N 2 1 248.414 2.498 20 30 BEEDMP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)cc1 ZINC000902404117 584588705 /nfs/dbraw/zinc/58/87/05/584588705.db2.gz CDQPNLDHMSMCEW-CYBMUJFWSA-N 2 1 229.327 2.090 20 30 BEEDMP C[NH2+][C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903423064 584764604 /nfs/dbraw/zinc/76/46/04/584764604.db2.gz OZVFEVLRGSBMEA-JXQTWKCFSA-N 2 1 235.375 2.000 20 30 BEEDMP C[NH2+][C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903423064 584764605 /nfs/dbraw/zinc/76/46/05/584764605.db2.gz OZVFEVLRGSBMEA-JXQTWKCFSA-N 2 1 235.375 2.000 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903454097 584772882 /nfs/dbraw/zinc/77/28/82/584772882.db2.gz UQXLHPZMYCKMDK-PFSRBDOWSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@H+]2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903454097 584772883 /nfs/dbraw/zinc/77/28/83/584772883.db2.gz UQXLHPZMYCKMDK-PFSRBDOWSA-N 2 1 247.386 2.000 20 30 BEEDMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455158 584774336 /nfs/dbraw/zinc/77/43/36/584774336.db2.gz RWVWQVOEBBHTTM-MMFDQKDXSA-N 2 1 249.402 2.292 20 30 BEEDMP C[C@H]([NH3+])C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903774977 584799192 /nfs/dbraw/zinc/79/91/92/584799192.db2.gz DHTNQEDZDXKZDT-LBPRGKRZSA-N 2 1 223.364 2.130 20 30 BEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903825620 584804323 /nfs/dbraw/zinc/80/43/23/584804323.db2.gz BIZJQOUYSSTPFT-PWSUYJOCSA-N 2 1 249.383 2.179 20 30 BEEDMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cc(C#N)cs1 ZINC000903827186 584805196 /nfs/dbraw/zinc/80/51/96/584805196.db2.gz PXPHKOMZJYMECQ-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C=CCCC[N@H+](CC)CC[C@@H]1CC[NH2+]C1 ZINC000903850106 584808118 /nfs/dbraw/zinc/80/81/18/584808118.db2.gz KOZCQNXXYMBWHH-ZDUSSCGKSA-N 2 1 210.365 2.274 20 30 BEEDMP C=CC[N@H+](CCc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313848 584863514 /nfs/dbraw/zinc/86/35/14/584863514.db2.gz LSMGNARQDMUEAK-IYBDPMFKSA-N 2 1 244.382 2.454 20 30 BEEDMP C#CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000766927677 585511697 /nfs/dbraw/zinc/51/16/97/585511697.db2.gz XHIIQEBKFPDCLV-HOCLYGCPSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000766927677 585511698 /nfs/dbraw/zinc/51/16/98/585511698.db2.gz XHIIQEBKFPDCLV-HOCLYGCPSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000766927677 585511699 /nfs/dbraw/zinc/51/16/99/585511699.db2.gz XHIIQEBKFPDCLV-HOCLYGCPSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000766927675 585511879 /nfs/dbraw/zinc/51/18/79/585511879.db2.gz XHIIQEBKFPDCLV-GOEBONIOSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000766927675 585511880 /nfs/dbraw/zinc/51/18/80/585511880.db2.gz XHIIQEBKFPDCLV-GOEBONIOSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000766927675 585511881 /nfs/dbraw/zinc/51/18/81/585511881.db2.gz XHIIQEBKFPDCLV-GOEBONIOSA-N 2 1 246.398 2.349 20 30 BEEDMP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000809624935 586510014 /nfs/dbraw/zinc/51/00/14/586510014.db2.gz UMVIRDZZQDIQNF-XJKSGUPXSA-N 2 1 242.366 2.240 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000815652031 586690145 /nfs/dbraw/zinc/69/01/45/586690145.db2.gz LSEYDYLRFKNCCK-UONOGXRCSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000815652031 586690147 /nfs/dbraw/zinc/69/01/47/586690147.db2.gz LSEYDYLRFKNCCK-UONOGXRCSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000817977238 586861966 /nfs/dbraw/zinc/86/19/66/586861966.db2.gz FIFILOHMBLJTHM-UPJWGTAASA-N 2 1 246.354 2.085 20 30 BEEDMP C#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000834903762 587769838 /nfs/dbraw/zinc/76/98/38/587769838.db2.gz REWFVTVDOCYIKQ-CJNGLKHVSA-N 2 1 242.366 2.240 20 30 BEEDMP C#CCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000877482852 590338131 /nfs/dbraw/zinc/33/81/31/590338131.db2.gz IBQQHNQOAHDOSE-GASCZTMLSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000877482852 590338132 /nfs/dbraw/zinc/33/81/32/590338132.db2.gz IBQQHNQOAHDOSE-GASCZTMLSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000877482852 590338133 /nfs/dbraw/zinc/33/81/33/590338133.db2.gz IBQQHNQOAHDOSE-GASCZTMLSA-N 2 1 234.387 2.064 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878661675 590604676 /nfs/dbraw/zinc/60/46/76/590604676.db2.gz GWQDCAREMBQBLY-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000878661675 590604678 /nfs/dbraw/zinc/60/46/78/590604678.db2.gz GWQDCAREMBQBLY-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878661675 590604679 /nfs/dbraw/zinc/60/46/79/590604679.db2.gz GWQDCAREMBQBLY-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP CC#CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260073 590980049 /nfs/dbraw/zinc/98/00/49/590980049.db2.gz NBCCEVCXDMNXQS-CQSZACIVSA-N 2 1 243.354 2.006 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883430109 591661763 /nfs/dbraw/zinc/66/17/63/591661763.db2.gz NHRNDGWBMAPESP-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP CC#CCC[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716109 592310813 /nfs/dbraw/zinc/31/08/13/592310813.db2.gz OGBNITWNYSHTAP-UHFFFAOYSA-N 2 1 234.387 2.350 20 30 BEEDMP C#CCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887135260 592448614 /nfs/dbraw/zinc/44/86/14/592448614.db2.gz ZNQYUNZRWIUUCL-AWEZNQCLSA-N 2 1 243.354 2.006 20 30 BEEDMP C#CCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887135261 592449601 /nfs/dbraw/zinc/44/96/01/592449601.db2.gz ZNQYUNZRWIUUCL-CQSZACIVSA-N 2 1 243.354 2.006 20 30 BEEDMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670935 634253018 /nfs/dbraw/zinc/25/30/18/634253018.db2.gz AWSINOLQQRCJBB-NEPJUHHUSA-N 2 1 223.364 2.046 20 30 BEEDMP C=C(C)CC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314602 640151748 /nfs/dbraw/zinc/15/17/48/640151748.db2.gz PRXSNNDHACJUCQ-KBPBESRZSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)CC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931314606 640153509 /nfs/dbraw/zinc/15/35/09/640153509.db2.gz PRXSNNDHACJUCQ-ZIAGYGMSSA-N 2 1 222.376 2.226 20 30 BEEDMP C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000231668820 641191716 /nfs/dbraw/zinc/19/17/16/641191716.db2.gz QTTCZBVTMYXFTK-OAHLLOKOSA-N 2 1 243.354 2.132 20 30 BEEDMP C#C[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000847017332 642384785 /nfs/dbraw/zinc/38/47/85/642384785.db2.gz BTVJFMCRWIYLJS-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C#C[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000847017332 642384792 /nfs/dbraw/zinc/38/47/92/642384792.db2.gz BTVJFMCRWIYLJS-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CCC1([NH2+]CCc2c[nH+]cn2C)CCCCC1 ZINC000933265839 642436766 /nfs/dbraw/zinc/43/67/66/642436766.db2.gz LMVKRDZTFIDIOC-UHFFFAOYSA-N 2 1 245.370 2.278 20 30 BEEDMP C[C@]1(C#N)CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923395404 644403223 /nfs/dbraw/zinc/40/32/23/644403223.db2.gz LCDMMBBTIIBHDO-JALIKCBVSA-N 2 1 247.386 2.143 20 30 BEEDMP C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1C[NH3+] ZINC000923493320 644468131 /nfs/dbraw/zinc/46/81/31/644468131.db2.gz SASMZIXIOGXNGC-PPWQZUPISA-N 2 1 249.402 2.233 20 30 BEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000817980831 644994497 /nfs/dbraw/zinc/99/44/97/644994497.db2.gz XFKZDHRMKIXRAY-OCCSQVGLSA-N 2 1 246.354 2.087 20 30 BEEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000817980829 644995601 /nfs/dbraw/zinc/99/56/01/644995601.db2.gz XFKZDHRMKIXRAY-GXTWGEPZSA-N 2 1 246.354 2.087 20 30 BEEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925652856 646389754 /nfs/dbraw/zinc/38/97/54/646389754.db2.gz BGIURTOPCFKAEN-BLYZHGLHSA-N 2 1 235.375 2.046 20 30 BEEDMP C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000925742877 646465283 /nfs/dbraw/zinc/46/52/83/646465283.db2.gz YGLYWEUJBCEJRF-JTQLQIEISA-N 2 1 249.333 2.475 20 30 BEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000710016803 712240958 /nfs/dbraw/zinc/24/09/58/712240958.db2.gz LXGAEVLXFNRJEF-QWHCGFSZSA-N 2 1 237.391 2.246 20 30 BEEDMP C=CC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000714999376 712503615 /nfs/dbraw/zinc/50/36/15/712503615.db2.gz AGSJIVJKORGWIN-GUBZILKMSA-N 2 1 236.281 2.020 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000715055955 712505050 /nfs/dbraw/zinc/50/50/50/712505050.db2.gz AABHNNVYJDZZFN-CYDGBPFRSA-N 2 1 208.349 2.010 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000715058355 712505158 /nfs/dbraw/zinc/50/51/58/712505158.db2.gz OTSHIXCBGUXIHU-MELADBBJSA-N 2 1 222.376 2.415 20 30 BEEDMP CCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000390505707 711121435 /nfs/dbraw/zinc/12/14/35/711121435.db2.gz WIXCNZDQCMYQKQ-UONOGXRCSA-N 2 1 224.392 2.498 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000392881905 711154168 /nfs/dbraw/zinc/15/41/68/711154168.db2.gz SHEHIUWEASQDJQ-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000392881905 711154170 /nfs/dbraw/zinc/15/41/70/711154170.db2.gz SHEHIUWEASQDJQ-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000396651095 711359852 /nfs/dbraw/zinc/35/98/52/711359852.db2.gz DNUQLPBVPJHFFT-NWDGAFQWSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[N@@H+](C[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000131635911 711545206 /nfs/dbraw/zinc/54/52/06/711545206.db2.gz RBQNPSLIABOREX-CYBMUJFWSA-N 2 1 210.365 2.273 20 30 BEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573440 711770063 /nfs/dbraw/zinc/77/00/63/711770063.db2.gz OFJIKASVFFKXRQ-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573440 711770064 /nfs/dbraw/zinc/77/00/64/711770064.db2.gz OFJIKASVFFKXRQ-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573440 711770065 /nfs/dbraw/zinc/77/00/65/711770065.db2.gz OFJIKASVFFKXRQ-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573440 711770067 /nfs/dbraw/zinc/77/00/67/711770067.db2.gz OFJIKASVFFKXRQ-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP C#C[C@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168327428 964455171 /nfs/dbraw/zinc/45/51/71/964455171.db2.gz NUDCOTOAWXGPPP-NFOMZHRRSA-N 2 1 234.387 2.204 20 30 BEEDMP C=CCC[C@H](O)C[NH2+]CCC[N@H+](C)CCCC ZINC001252614910 968873120 /nfs/dbraw/zinc/87/31/20/968873120.db2.gz RNYKNRAAMDTHMC-AWEZNQCLSA-N 2 1 242.407 2.025 20 30 BEEDMP CCCCCCC[C@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000228996004 1166327645 /nfs/dbraw/zinc/32/76/45/1166327645.db2.gz DZEZJCHTDKDORT-KBPBESRZSA-N 2 1 242.407 2.395 20 30 BEEDMP CCCCCCC[C@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000228996004 1166327650 /nfs/dbraw/zinc/32/76/50/1166327650.db2.gz DZEZJCHTDKDORT-KBPBESRZSA-N 2 1 242.407 2.395 20 30 BEEDMP C#C[C@H]1CCC[N@H+]([C@H](C)CC[NH+](CC)CC)C1 ZINC001255963794 970603386 /nfs/dbraw/zinc/60/33/86/970603386.db2.gz KOJSBACZYGTUKR-CABCVRRESA-N 2 1 236.403 2.452 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000309488581 1167317536 /nfs/dbraw/zinc/31/75/36/1167317536.db2.gz XRJDTAUITDUONP-ZIAGYGMSSA-N 2 1 224.392 2.498 20 30 BEEDMP CC(C)C[N@@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC000691575105 977225461 /nfs/dbraw/zinc/22/54/61/977225461.db2.gz BKMQBEUFGCDMFC-UHFFFAOYSA-N 2 1 237.391 2.200 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000086818615 1168313322 /nfs/dbraw/zinc/31/33/22/1168313322.db2.gz JONCTFBTMAOXBC-HNNXBMFYSA-N 2 1 243.354 2.132 20 30 BEEDMP C[C@]1([NH3+])CCC[N@H+](C2CCC(C#N)CC2)CC1 ZINC001246547205 1168647293 /nfs/dbraw/zinc/64/72/93/1168647293.db2.gz BUTMKBONTDKNBR-RUXDESIVSA-N 2 1 235.375 2.272 20 30 BEEDMP N#CC1CCC([NH+]2CCC([NH+]3CCC3)CC2)CC1 ZINC001256971396 971051942 /nfs/dbraw/zinc/05/19/42/971051942.db2.gz PWUDGLCHHYGGQA-UHFFFAOYSA-N 2 1 247.386 2.239 20 30 BEEDMP CC(C)C[NH+]1CCC([NH+]2CCC(C#N)CC2)CC1 ZINC001258012588 971554055 /nfs/dbraw/zinc/55/40/55/971554055.db2.gz ZYJVYPNQSQKHKG-UHFFFAOYSA-N 2 1 249.402 2.342 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000711320599 962681472 /nfs/dbraw/zinc/68/14/72/962681472.db2.gz IEMSKWJWKRTBGP-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC001254653357 1169814102 /nfs/dbraw/zinc/81/41/02/1169814102.db2.gz MVBDPVRAWVZDCC-KBXIAJHMSA-N 2 1 249.402 2.387 20 30 BEEDMP Cc1[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1CC#N ZINC001154988722 962934030 /nfs/dbraw/zinc/93/40/30/962934030.db2.gz RMXMCVZBYLJQRU-OLZOCXBDSA-N 2 1 244.342 2.138 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001168324195 964447154 /nfs/dbraw/zinc/44/71/54/964447154.db2.gz JKOHDEAJZGJOHY-WLYUNCDWSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@@H+](CCC#N)C1CCC([NH+](C)C)CC1 ZINC001168322787 964447336 /nfs/dbraw/zinc/44/73/36/964447336.db2.gz IBJDEJMKZGDANL-UHFFFAOYSA-N 2 1 223.364 2.095 20 30 BEEDMP CCCC[N@H+](CC#N)C1CCC([NH+](C)C)CC1 ZINC001168326564 964454898 /nfs/dbraw/zinc/45/48/98/964454898.db2.gz BKVUCOUCHZOXPX-UHFFFAOYSA-N 2 1 237.391 2.485 20 30 BEEDMP CCCC[N@@H+](CC#N)C1CCC([NH+](C)C)CC1 ZINC001168326564 964454901 /nfs/dbraw/zinc/45/49/01/964454901.db2.gz BKVUCOUCHZOXPX-UHFFFAOYSA-N 2 1 237.391 2.485 20 30 BEEDMP CCCCCCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235976956 966195083 /nfs/dbraw/zinc/19/50/83/966195083.db2.gz DLNOUTVSAILPNW-STQMWFEESA-N 2 1 210.365 2.380 20 30 BEEDMP Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205116904 967364219 /nfs/dbraw/zinc/36/42/19/967364219.db2.gz IVWVBCCIGKHUFI-OAHLLOKOSA-N 2 1 243.354 2.180 20 30 BEEDMP CCCCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209815 967423268 /nfs/dbraw/zinc/42/32/68/967423268.db2.gz LJIOYPNUKMIIGH-CQSZACIVSA-N 2 1 242.407 2.133 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205545762 967686343 /nfs/dbraw/zinc/68/63/43/967686343.db2.gz MXOQMNXOYJFRAW-ZDUSSCGKSA-N 2 1 228.355 2.496 20 30 BEEDMP C=CCCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206540973 968369844 /nfs/dbraw/zinc/36/98/44/968369844.db2.gz DZIBLQOMWUGYKY-CYBMUJFWSA-N 2 1 210.365 2.404 20 30 BEEDMP C[NH+](C)CC(C)(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207282811 968715766 /nfs/dbraw/zinc/71/57/66/968715766.db2.gz PPXIREJBESPAPK-ZSOGYDGISA-N 2 1 249.402 2.341 20 30 BEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001208597746 969150143 /nfs/dbraw/zinc/15/01/43/969150143.db2.gz MVOZHOHTAXAQGJ-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP C#C[C@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001208597749 969152413 /nfs/dbraw/zinc/15/24/13/969152413.db2.gz NBEUWWOFXXNYGO-AWEZNQCLSA-N 2 1 234.387 2.064 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)CC1)C2 ZINC001169089895 969409397 /nfs/dbraw/zinc/40/93/97/969409397.db2.gz GKYXBVGHXNEUKI-SBAKFKMJSA-N 2 1 247.386 2.284 20 30 BEEDMP C=CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107808 969447998 /nfs/dbraw/zinc/44/79/98/969447998.db2.gz KNFVSGBJJCIMNO-CLLJXQQHSA-N 2 1 208.349 2.167 20 30 BEEDMP C=CC[NH+](CC=C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142159 969456474 /nfs/dbraw/zinc/45/64/74/969456474.db2.gz ACEMYUJVOSQGES-WDNDVIMCSA-N 2 1 220.360 2.286 20 30 BEEDMP C=CC[NH+](CC=C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142159 969456481 /nfs/dbraw/zinc/45/64/81/969456481.db2.gz ACEMYUJVOSQGES-WDNDVIMCSA-N 2 1 220.360 2.286 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(C)(C#N)CC1)C2 ZINC001169145598 969463613 /nfs/dbraw/zinc/46/36/13/969463613.db2.gz NBAYWPDNRJFXPS-BTTYYORXSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](C#N)CC1)C2 ZINC001169146088 969466772 /nfs/dbraw/zinc/46/67/72/969466772.db2.gz OJTKFUBCOJDULR-XQLPTFJDSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCC[C@H](C#N)CC1)C2 ZINC001169146088 969466784 /nfs/dbraw/zinc/46/67/84/969466784.db2.gz OJTKFUBCOJDULR-XQLPTFJDSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCC[C@H](C#N)CC1)C2 ZINC001169146088 969466789 /nfs/dbraw/zinc/46/67/89/969466789.db2.gz OJTKFUBCOJDULR-XQLPTFJDSA-N 2 1 247.386 2.237 20 30 BEEDMP C=CCCCC[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209737880 969599783 /nfs/dbraw/zinc/59/97/83/969599783.db2.gz SVNUNZYHAOIJOI-UHFFFAOYSA-N 2 1 219.332 2.282 20 30 BEEDMP C=CCCCC[N@H+](C)Cc1c[nH+]ccc1N ZINC001209737880 969599789 /nfs/dbraw/zinc/59/97/89/969599789.db2.gz SVNUNZYHAOIJOI-UHFFFAOYSA-N 2 1 219.332 2.282 20 30 BEEDMP C=C(Cl)C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001327920027 972811997 /nfs/dbraw/zinc/81/19/97/972811997.db2.gz WVTQAQKHPVAFPR-UHFFFAOYSA-N 2 1 228.767 2.205 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580924 972940969 /nfs/dbraw/zinc/94/09/69/972940969.db2.gz OHKSLJYXCZUBKQ-QWHCGFSZSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001246580924 972940984 /nfs/dbraw/zinc/94/09/84/972940984.db2.gz OHKSLJYXCZUBKQ-QWHCGFSZSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246584873 972968165 /nfs/dbraw/zinc/96/81/65/972968165.db2.gz VYRYOFIIJWXFSZ-QWHCGFSZSA-N 2 1 210.365 2.402 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246605794 973025770 /nfs/dbraw/zinc/02/57/70/973025770.db2.gz CYYPFMILZMEVAQ-UONOGXRCSA-N 2 1 235.375 2.287 20 30 BEEDMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771403 973087912 /nfs/dbraw/zinc/08/79/12/973087912.db2.gz YNYBPTTXKGCVSC-WFASDCNBSA-N 2 1 243.354 2.131 20 30 BEEDMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771403 973087926 /nfs/dbraw/zinc/08/79/26/973087926.db2.gz YNYBPTTXKGCVSC-WFASDCNBSA-N 2 1 243.354 2.131 20 30 BEEDMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771370 973089800 /nfs/dbraw/zinc/08/98/00/973089800.db2.gz YNYBPTTXKGCVSC-SWLSCSKDSA-N 2 1 243.354 2.131 20 30 BEEDMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771370 973089810 /nfs/dbraw/zinc/08/98/10/973089810.db2.gz YNYBPTTXKGCVSC-SWLSCSKDSA-N 2 1 243.354 2.131 20 30 BEEDMP C=CCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154434 974327728 /nfs/dbraw/zinc/32/77/28/974327728.db2.gz IZVZEBHUXMFVTL-OLZOCXBDSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206154434 974327742 /nfs/dbraw/zinc/32/77/42/974327742.db2.gz IZVZEBHUXMFVTL-OLZOCXBDSA-N 2 1 228.355 2.494 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001330608024 974354426 /nfs/dbraw/zinc/35/44/26/974354426.db2.gz LLFFPMQRBSDESM-MCIONIFRSA-N 2 1 237.391 2.389 20 30 BEEDMP C#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172115231 974382748 /nfs/dbraw/zinc/38/27/48/974382748.db2.gz SLBIAYLBRPHIEA-QDMKHBRRSA-N 2 1 234.387 2.395 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C#N)CC1)C2 ZINC001172115478 974382775 /nfs/dbraw/zinc/38/27/75/974382775.db2.gz XSYXKLBPWUVIBQ-QDMKHBRRSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC(C#N)CC1)C2 ZINC001172115478 974382783 /nfs/dbraw/zinc/38/27/83/974382783.db2.gz XSYXKLBPWUVIBQ-QDMKHBRRSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#N)CC1)C2 ZINC001172115478 974382791 /nfs/dbraw/zinc/38/27/91/974382791.db2.gz XSYXKLBPWUVIBQ-QDMKHBRRSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#N)CC1)C2 ZINC001172115478 974382794 /nfs/dbraw/zinc/38/27/94/974382794.db2.gz XSYXKLBPWUVIBQ-QDMKHBRRSA-N 2 1 247.386 2.237 20 30 BEEDMP CCCCCCC[C@@H](CC)[N@@H+](CC[NH3+])CCO ZINC001172346276 974614104 /nfs/dbraw/zinc/61/41/04/974614104.db2.gz IBBOKJVFJLHQEF-CQSZACIVSA-N 2 1 244.423 2.379 20 30 BEEDMP CCCCCCC[C@@H](CC)[N@H+](CC[NH3+])CCO ZINC001172346276 974614098 /nfs/dbraw/zinc/61/40/98/974614098.db2.gz IBBOKJVFJLHQEF-CQSZACIVSA-N 2 1 244.423 2.379 20 30 BEEDMP C[C@H](CCCC#N)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001172479301 974778595 /nfs/dbraw/zinc/77/85/95/974778595.db2.gz KSFSRAOSGQOITF-ZIAGYGMSSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001172479775 974779708 /nfs/dbraw/zinc/77/97/08/974779708.db2.gz ONCSHZBCFOXOMN-CHWSQXEVSA-N 2 1 223.364 2.143 20 30 BEEDMP C[NH+](C)CCC[N@@H+](C)C1CCC(CC#N)CC1 ZINC001173332433 975282083 /nfs/dbraw/zinc/28/20/83/975282083.db2.gz NGJPMDJMBSXUJS-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP C#CC[N@@H+](C)CCCNc1ccc(CC)c[nH+]1 ZINC001336651705 977831865 /nfs/dbraw/zinc/83/18/65/977831865.db2.gz FVTSXZICSPTUOF-UHFFFAOYSA-N 2 1 231.343 2.011 20 30 BEEDMP C#CC[N@H+](C)CCCNc1ccc(CC)c[nH+]1 ZINC001336651705 977831866 /nfs/dbraw/zinc/83/18/66/977831866.db2.gz FVTSXZICSPTUOF-UHFFFAOYSA-N 2 1 231.343 2.011 20 30 BEEDMP C=CCC[N@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC001235702602 979130491 /nfs/dbraw/zinc/13/04/91/979130491.db2.gz NABWQJAVKFEBQO-ZDUSSCGKSA-N 2 1 218.344 2.412 20 30 BEEDMP C=CCC[N@@H+](Cc1ccccc1)C[C@H](C)[NH3+] ZINC001235702602 979130505 /nfs/dbraw/zinc/13/05/05/979130505.db2.gz NABWQJAVKFEBQO-ZDUSSCGKSA-N 2 1 218.344 2.412 20 30 BEEDMP C#CC[N@H+](CCCC[NH3+])[C@@H]1CCc2ccccc21 ZINC001235833433 979162888 /nfs/dbraw/zinc/16/28/88/979162888.db2.gz DUDKMVBMXVHIBD-MRXNPFEDSA-N 2 1 242.366 2.348 20 30 BEEDMP C=CCCCC[N@@H+](C)C[C@@H]1CCCC[NH2+]1 ZINC001236085664 979373147 /nfs/dbraw/zinc/37/31/47/979373147.db2.gz UNQXPSSQOJUAOG-ZDUSSCGKSA-N 2 1 210.365 2.417 20 30 BEEDMP C=CCCCC[N@H+](C)C[C@@H]1CCCC[NH2+]1 ZINC001236085664 979373152 /nfs/dbraw/zinc/37/31/52/979373152.db2.gz UNQXPSSQOJUAOG-ZDUSSCGKSA-N 2 1 210.365 2.417 20 30 BEEDMP CCC#C[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001191173922 980989874 /nfs/dbraw/zinc/98/98/74/980989874.db2.gz KQQHZZZLDFTCKQ-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001191173922 980989878 /nfs/dbraw/zinc/98/98/78/980989878.db2.gz KQQHZZZLDFTCKQ-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001191173922 980989887 /nfs/dbraw/zinc/98/98/87/980989887.db2.gz KQQHZZZLDFTCKQ-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001191173922 980989898 /nfs/dbraw/zinc/98/98/98/980989898.db2.gz KQQHZZZLDFTCKQ-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP C=CCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001274962277 984419404 /nfs/dbraw/zinc/41/94/04/984419404.db2.gz JCOBSMJDSSIJGC-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001274962277 984419440 /nfs/dbraw/zinc/41/94/40/984419440.db2.gz JCOBSMJDSSIJGC-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001274962277 984419462 /nfs/dbraw/zinc/41/94/62/984419462.db2.gz JCOBSMJDSSIJGC-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258718906 986048932 /nfs/dbraw/zinc/04/89/32/986048932.db2.gz XEFZMQABEIYLGU-QWHCGFSZSA-N 2 1 210.365 2.415 20 30 BEEDMP Cc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1C#N ZINC001579601393 986093784 /nfs/dbraw/zinc/09/37/84/986093784.db2.gz PZVSHZJKIGQJQE-CQSZACIVSA-N 2 1 245.370 2.330 20 30 BEEDMP N#CCC1(C[N@H+]2C[C@@H]3CCCC[C@]3(C[NH3+])C2)CC1 ZINC001580047530 986477161 /nfs/dbraw/zinc/47/71/61/986477161.db2.gz JKUOUIZVLCPXSE-ZFWWWQNUSA-N 2 1 247.386 2.131 20 30 BEEDMP CCCCCCC[N@@H+](C)C[C@@]1(O)CCC[NH2+]C1 ZINC001246045990 987342098 /nfs/dbraw/zinc/34/20/98/987342098.db2.gz XWIPHEAVBVNUES-CQSZACIVSA-N 2 1 242.407 2.003 20 30 BEEDMP C#CC[N@H+](CCC[NH+](CC)CC)C(C)(C)C ZINC001473809610 987565107 /nfs/dbraw/zinc/56/51/07/987565107.db2.gz WNCCVAZOKRRQJX-UHFFFAOYSA-N 2 1 224.392 2.452 20 30 BEEDMP CCCCCCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557733 987974536 /nfs/dbraw/zinc/97/45/36/987974536.db2.gz HAXFQYAKYPJILL-BFHYXJOUSA-N 2 1 242.407 2.129 20 30 BEEDMP CCCCCCC[C@@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001246557734 987975448 /nfs/dbraw/zinc/97/54/48/987975448.db2.gz HAXFQYAKYPJILL-MGPQQGTHSA-N 2 1 242.407 2.129 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246558946 987982851 /nfs/dbraw/zinc/98/28/51/987982851.db2.gz OEOFLHBUHLLDKI-HZSPNIEDSA-N 2 1 237.391 2.376 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246558960 987983367 /nfs/dbraw/zinc/98/33/67/987983367.db2.gz OEOFLHBUHLLDKI-RDBSUJKOSA-N 2 1 237.391 2.376 20 30 BEEDMP CC[C@H](CC#N)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246578448 988088339 /nfs/dbraw/zinc/08/83/39/988088339.db2.gz RDYSGIJQFAECFF-CHWSQXEVSA-N 2 1 223.364 2.130 20 30 BEEDMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001246578845 988106008 /nfs/dbraw/zinc/10/60/08/988106008.db2.gz CXCZNVXHPPEERC-MELADBBJSA-N 2 1 235.375 2.130 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246585486 988139729 /nfs/dbraw/zinc/13/97/29/988139729.db2.gz XIXYHQJOQZDKCU-CHWSQXEVSA-N 2 1 223.364 2.130 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH2+]CC[C@H]43)C[C@H](C1)C2 ZINC001246672743 988414737 /nfs/dbraw/zinc/41/47/37/988414737.db2.gz LDLVUONHVNTHCD-IOUZAIRSSA-N 2 1 246.398 2.415 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH2+][C@H]4C3)C[C@H](C1)C2 ZINC001246926893 988750090 /nfs/dbraw/zinc/75/00/90/988750090.db2.gz UXKSANVBOQKZGD-LJIAPDMLSA-N 2 1 232.371 2.025 20 30 BEEDMP C#CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547591 990971594 /nfs/dbraw/zinc/97/15/94/990971594.db2.gz QFQCFEXSDZVRGO-UHFFFAOYSA-N 2 1 239.322 2.246 20 30 BEEDMP C#CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138547591 990971601 /nfs/dbraw/zinc/97/16/01/990971601.db2.gz QFQCFEXSDZVRGO-UHFFFAOYSA-N 2 1 239.322 2.246 20 30 BEEDMP CC[N@@H+](C[C@H](C)C#N)CC1CC[NH+](CC)CC1 ZINC001560693295 991558677 /nfs/dbraw/zinc/55/86/77/991558677.db2.gz CPEZQOJMHZLGQL-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C=CCC[N@H+](C)CC1CC[NH+](CC)CC1 ZINC001560759217 991589056 /nfs/dbraw/zinc/58/90/56/991589056.db2.gz VTVQNXTZCJWVIY-UHFFFAOYSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[C@H](C)n1cc[nH+]c1CCC[NH3+] ZINC001258725185 991662137 /nfs/dbraw/zinc/66/21/37/991662137.db2.gz HBYDIDOMMPNORD-NSHDSACASA-N 2 1 207.321 2.302 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258732829 991676981 /nfs/dbraw/zinc/67/69/81/991676981.db2.gz CGCOSJFTHUSIEA-MGPQQGTHSA-N 2 1 222.376 2.225 20 30 BEEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001321181724 992478099 /nfs/dbraw/zinc/47/80/99/992478099.db2.gz NSEYDRAVLBFWPE-YIYPIFLZSA-N 2 1 235.375 2.141 20 30 BEEDMP C=C(C)CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001574836175 992923758 /nfs/dbraw/zinc/92/37/58/992923758.db2.gz WFSRCKTZHWFLBJ-CQSZACIVSA-N 2 1 222.376 2.418 20 30 BEEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001574900099 992939785 /nfs/dbraw/zinc/93/97/85/992939785.db2.gz PSWPZDVSDKIFCT-AGIUHOORSA-N 2 1 208.349 2.073 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001574907436 992943066 /nfs/dbraw/zinc/94/30/66/992943066.db2.gz LXAZRKZTMCDWTQ-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001574907436 992943074 /nfs/dbraw/zinc/94/30/74/992943074.db2.gz LXAZRKZTMCDWTQ-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001575940921 993134223 /nfs/dbraw/zinc/13/42/23/993134223.db2.gz DVQQQLGVELGRNF-GHMZBOCLSA-N 2 1 249.383 2.240 20 30 BEEDMP CCC(CC)(C[NH3+])[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001577058771 993491060 /nfs/dbraw/zinc/49/10/60/993491060.db2.gz GRRLBHQDWJJYPN-UHFFFAOYSA-N 2 1 249.333 2.304 20 30 BEEDMP C=CCCCCC[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385234949 993655140 /nfs/dbraw/zinc/65/51/40/993655140.db2.gz UDYMZJMMICYBCM-ZDUSSCGKSA-N 2 1 210.365 2.274 20 30 BEEDMP C=CCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193596429 192035668 /nfs/dbraw/zinc/03/56/68/192035668.db2.gz DQWYIIARXUVFNP-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596429 192035669 /nfs/dbraw/zinc/03/56/69/192035669.db2.gz DQWYIIARXUVFNP-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193596429 192035671 /nfs/dbraw/zinc/03/56/71/192035671.db2.gz DQWYIIARXUVFNP-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP N#CC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000602515694 349573061 /nfs/dbraw/zinc/57/30/61/349573061.db2.gz BODWWCGJZUJERT-NEXFUWMNSA-N 2 1 247.386 2.285 20 30 BEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602523953 349576698 /nfs/dbraw/zinc/57/66/98/349576698.db2.gz JFWDPMYBLIWQPV-SLTAFYQDSA-N 2 1 249.402 2.390 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602525953 349577230 /nfs/dbraw/zinc/57/72/30/349577230.db2.gz UHRLDWUWRMZREA-ZIAGYGMSSA-N 2 1 237.391 2.248 20 30 BEEDMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602524881 349577818 /nfs/dbraw/zinc/57/78/18/349577818.db2.gz GTGQZNYKLWCOMY-ZIAGYGMSSA-N 2 1 237.391 2.248 20 30 BEEDMP CC[C@H](C[NH2+]C[C@H](C)CCC#N)[NH+]1CCCC1 ZINC000602507239 349583596 /nfs/dbraw/zinc/58/35/96/349583596.db2.gz DOAPGHGKMUNYOO-ZIAGYGMSSA-N 2 1 237.391 2.390 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCC1CC1 ZINC000378789319 346836276 /nfs/dbraw/zinc/83/62/76/346836276.db2.gz LOMLRSQTWSVQKK-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCC1CC1 ZINC000378789319 346836281 /nfs/dbraw/zinc/83/62/81/346836281.db2.gz LOMLRSQTWSVQKK-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000602540398 349605694 /nfs/dbraw/zinc/60/56/94/349605694.db2.gz OCFRGPXSXWXKLH-CYBMUJFWSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000602540398 349605696 /nfs/dbraw/zinc/60/56/96/349605696.db2.gz OCFRGPXSXWXKLH-CYBMUJFWSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000602685280 349677119 /nfs/dbraw/zinc/67/71/19/349677119.db2.gz FDCILGGWWKVCAG-ZDUSSCGKSA-N 2 1 237.391 2.390 20 30 BEEDMP CN(CC[C@H]1CCCC[N@H+]1C)CC1(CC#N)CC1 ZINC000602782354 349747378 /nfs/dbraw/zinc/74/73/78/349747378.db2.gz MHIOVSYTWKRWDH-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC1(CC#N)CC1 ZINC000602782354 349747379 /nfs/dbraw/zinc/74/73/79/349747379.db2.gz MHIOVSYTWKRWDH-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(CC#N)CC1 ZINC000602782354 349747382 /nfs/dbraw/zinc/74/73/82/349747382.db2.gz MHIOVSYTWKRWDH-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(CC#N)CC1 ZINC000602782354 349747384 /nfs/dbraw/zinc/74/73/84/349747384.db2.gz MHIOVSYTWKRWDH-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(CC#N)CC1 ZINC000602782354 349747386 /nfs/dbraw/zinc/74/73/86/349747386.db2.gz MHIOVSYTWKRWDH-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+]1CCC[C@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000602831912 349768060 /nfs/dbraw/zinc/76/80/60/349768060.db2.gz LORAJZLHNYASBZ-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000602831912 349768062 /nfs/dbraw/zinc/76/80/62/349768062.db2.gz LORAJZLHNYASBZ-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000602831912 349768065 /nfs/dbraw/zinc/76/80/65/349768065.db2.gz LORAJZLHNYASBZ-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3(CC#N)CC3)C2)C1 ZINC000602831912 349768067 /nfs/dbraw/zinc/76/80/67/349768067.db2.gz LORAJZLHNYASBZ-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C#CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000271433155 187236819 /nfs/dbraw/zinc/23/68/19/187236819.db2.gz DKMMRTGKHGWZGO-INIZCTEOSA-N 2 1 242.366 2.435 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000258751961 344498456 /nfs/dbraw/zinc/49/84/56/344498456.db2.gz JKYMFBKVSXUFIQ-ROKHWSDSSA-N 2 1 235.375 2.000 20 30 BEEDMP CC#CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000156646148 187296224 /nfs/dbraw/zinc/29/62/24/187296224.db2.gz BZASYUPJVPGKEL-GFCCVEGCSA-N 2 1 217.316 2.003 20 30 BEEDMP CC#CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000155797479 345104293 /nfs/dbraw/zinc/10/42/93/345104293.db2.gz HVYQICWEMBQGSE-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158852104 345380859 /nfs/dbraw/zinc/38/08/59/345380859.db2.gz RSMQSPCFERATPQ-NEPJUHHUSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158852104 345380860 /nfs/dbraw/zinc/38/08/60/345380860.db2.gz RSMQSPCFERATPQ-NEPJUHHUSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158852104 345380862 /nfs/dbraw/zinc/38/08/62/345380862.db2.gz RSMQSPCFERATPQ-NEPJUHHUSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158852104 345380863 /nfs/dbraw/zinc/38/08/63/345380863.db2.gz RSMQSPCFERATPQ-NEPJUHHUSA-N 2 1 228.767 2.155 20 30 BEEDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000070074520 345330126 /nfs/dbraw/zinc/33/01/26/345330126.db2.gz GPWYBPFGACVQFX-SWLSCSKDSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@@H]1CC[N@@H+](CCCC#N)C[C@@H]1n1ccnc1 ZINC000136094383 345475509 /nfs/dbraw/zinc/47/55/09/345475509.db2.gz QGQGXFQNKHMABN-OLZOCXBDSA-N 2 1 232.331 2.070 20 30 BEEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000589344024 346690697 /nfs/dbraw/zinc/69/06/97/346690697.db2.gz MREPTWJNWPDLHM-MJBXVCDLSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000589344024 346690698 /nfs/dbraw/zinc/69/06/98/346690698.db2.gz MREPTWJNWPDLHM-MJBXVCDLSA-N 2 1 237.391 2.387 20 30 BEEDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591579976 347677360 /nfs/dbraw/zinc/67/73/60/347677360.db2.gz COHBDLKBXJQWRR-ZIBATOQPSA-N 2 1 243.354 2.261 20 30 BEEDMP N#CC1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000594740558 348110923 /nfs/dbraw/zinc/11/09/23/348110923.db2.gz YWRGWRLEUVAHQR-STQMWFEESA-N 2 1 235.375 2.320 20 30 BEEDMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccc(C#N)cc1 ZINC000595891024 348390090 /nfs/dbraw/zinc/39/00/90/348390090.db2.gz IZKSGZUTYLRZIQ-OAHLLOKOSA-N 2 1 245.370 2.064 20 30 BEEDMP C=C(CC)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542428 362959746 /nfs/dbraw/zinc/95/97/46/362959746.db2.gz AEOABGQLCYHNEF-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP CC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122329527 362975720 /nfs/dbraw/zinc/97/57/20/362975720.db2.gz PQEHUDYAUASPFW-GJZGRUSLSA-N 2 1 243.354 2.117 20 30 BEEDMP CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122329527 362975728 /nfs/dbraw/zinc/97/57/28/362975728.db2.gz PQEHUDYAUASPFW-GJZGRUSLSA-N 2 1 243.354 2.117 20 30 BEEDMP C=CCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339430740 350757497 /nfs/dbraw/zinc/75/74/97/350757497.db2.gz LGFMOEGMFMROBV-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430740 350757500 /nfs/dbraw/zinc/75/75/00/350757500.db2.gz LGFMOEGMFMROBV-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339430740 350757502 /nfs/dbraw/zinc/75/75/02/350757502.db2.gz LGFMOEGMFMROBV-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C[N@H+]1CC[C@@]2(CC[NH+](CC(C)(C)CCC#N)C2)C1 ZINC000366493667 350823659 /nfs/dbraw/zinc/82/36/59/350823659.db2.gz YZCYPJJCTCMWOM-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@@]2(CC[N@H+](CC(C)(C)CCC#N)C2)C1 ZINC000366493667 350823661 /nfs/dbraw/zinc/82/36/61/350823661.db2.gz YZCYPJJCTCMWOM-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@@]2(CC[N@@H+](CC(C)(C)CCC#N)C2)C1 ZINC000366493667 350823662 /nfs/dbraw/zinc/82/36/62/350823662.db2.gz YZCYPJJCTCMWOM-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C=CCOc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000414791202 351772887 /nfs/dbraw/zinc/77/28/87/351772887.db2.gz HIPYTKDTEDPZEF-HNNXBMFYSA-N 2 1 248.370 2.324 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000411323984 191179378 /nfs/dbraw/zinc/17/93/78/191179378.db2.gz JWQJMQAJZWPMQR-HZSPNIEDSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000411323984 191179380 /nfs/dbraw/zinc/17/93/80/191179380.db2.gz JWQJMQAJZWPMQR-HZSPNIEDSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000411323984 191179382 /nfs/dbraw/zinc/17/93/82/191179382.db2.gz JWQJMQAJZWPMQR-HZSPNIEDSA-N 2 1 235.375 2.095 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](CCC)OC)CC1 ZINC000638524683 352356468 /nfs/dbraw/zinc/35/64/68/352356468.db2.gz QVSXJFREHDRYEZ-CQSZACIVSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CCCOCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000231800790 353662316 /nfs/dbraw/zinc/66/23/16/353662316.db2.gz NYZJLYOBGUDNBG-GJZGRUSLSA-N 2 1 246.354 2.314 20 30 BEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c1 ZINC000347020957 355206553 /nfs/dbraw/zinc/20/65/53/355206553.db2.gz NKUWCWNYQGNMIJ-AWEZNQCLSA-N 2 1 246.354 2.032 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000352004151 134034848 /nfs/dbraw/zinc/03/48/48/134034848.db2.gz OGZXPWXJVWKTRS-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000352004151 134034849 /nfs/dbraw/zinc/03/48/49/134034849.db2.gz OGZXPWXJVWKTRS-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000352004151 134034850 /nfs/dbraw/zinc/03/48/50/134034850.db2.gz OGZXPWXJVWKTRS-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420320302 192194996 /nfs/dbraw/zinc/19/49/96/192194996.db2.gz BDSSQDGZMJVCAB-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320304 192195026 /nfs/dbraw/zinc/19/50/26/192195026.db2.gz BDSSQDGZMJVCAB-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[N@@H+](C[C@@H](C)[NH3+])CC1CCCCC1 ZINC000420307143 192208645 /nfs/dbraw/zinc/20/86/45/192208645.db2.gz RFQDHWJZUPSILR-GFCCVEGCSA-N 2 1 210.365 2.402 20 30 BEEDMP C=CC[N@H+](C[C@@H](C)[NH3+])CC1CCCCC1 ZINC000420307143 192208648 /nfs/dbraw/zinc/20/86/48/192208648.db2.gz RFQDHWJZUPSILR-GFCCVEGCSA-N 2 1 210.365 2.402 20 30 BEEDMP C=C(C)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000352403820 134143204 /nfs/dbraw/zinc/14/32/04/134143204.db2.gz YIJMZDJZFIGIAE-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000361458773 134205369 /nfs/dbraw/zinc/20/53/69/134205369.db2.gz HYJBOCIHIBXIDW-ZIAGYGMSSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000361458773 134205370 /nfs/dbraw/zinc/20/53/70/134205370.db2.gz HYJBOCIHIBXIDW-ZIAGYGMSSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000361458772 134205588 /nfs/dbraw/zinc/20/55/88/134205588.db2.gz HYJBOCIHIBXIDW-UONOGXRCSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000361458772 134205589 /nfs/dbraw/zinc/20/55/89/134205589.db2.gz HYJBOCIHIBXIDW-UONOGXRCSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@@H+](CCC#N)CCCCn1cc[nH+]c1C ZINC000120417658 134229349 /nfs/dbraw/zinc/22/93/49/134229349.db2.gz VGMXOMOZRDECLT-UHFFFAOYSA-N 2 1 234.347 2.207 20 30 BEEDMP CC[N@H+](CCC#N)CCCCn1cc[nH+]c1C ZINC000120417658 134229350 /nfs/dbraw/zinc/22/93/50/134229350.db2.gz VGMXOMOZRDECLT-UHFFFAOYSA-N 2 1 234.347 2.207 20 30 BEEDMP CC#CCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983591 358026345 /nfs/dbraw/zinc/02/63/45/358026345.db2.gz KFLHTZSKNKGOQL-UHFFFAOYSA-N 2 1 234.387 2.350 20 30 BEEDMP CC#CCC[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017332 358080640 /nfs/dbraw/zinc/08/06/40/358080640.db2.gz MWTSMBJKRYTQRV-UHFFFAOYSA-N 2 1 222.376 2.206 20 30 BEEDMP C=CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623422725 358208128 /nfs/dbraw/zinc/20/81/28/358208128.db2.gz CDCWRTUAYLYCEK-NEPJUHHUSA-N 2 1 210.365 2.413 20 30 BEEDMP N#CCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836173 359227263 /nfs/dbraw/zinc/22/72/63/359227263.db2.gz NWWIMZFVZDYYKK-HNNXBMFYSA-N 2 1 249.402 2.488 20 30 BEEDMP CC#CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531832 361301509 /nfs/dbraw/zinc/30/15/09/361301509.db2.gz RSRFZCHYUPQTLO-UHFFFAOYSA-N 2 1 222.376 2.208 20 30 BEEDMP C=CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000629534993 361408948 /nfs/dbraw/zinc/40/89/48/361408948.db2.gz CBSVCUGVHLFWNO-XBFCOCLRSA-N 2 1 222.376 2.461 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000629547134 361430869 /nfs/dbraw/zinc/43/08/69/361430869.db2.gz FEDAMKGPGWCYTA-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)C#N ZINC000433297764 201177704 /nfs/dbraw/zinc/17/77/04/201177704.db2.gz MDXHVSBCIUOULK-UHFFFAOYSA-N 2 1 234.347 2.063 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)C#N ZINC000433297764 201177705 /nfs/dbraw/zinc/17/77/05/201177705.db2.gz MDXHVSBCIUOULK-UHFFFAOYSA-N 2 1 234.347 2.063 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC)CC1 ZINC000153012670 201215420 /nfs/dbraw/zinc/21/54/20/201215420.db2.gz JQTXVQYQHBWHOX-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367612842 367086709 /nfs/dbraw/zinc/08/67/09/367086709.db2.gz BISVQFYCRLQIOB-MJBXVCDLSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367612841 367086799 /nfs/dbraw/zinc/08/67/99/367086799.db2.gz BISVQFYCRLQIOB-MGPQQGTHSA-N 2 1 222.376 2.415 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000258896150 370859028 /nfs/dbraw/zinc/85/90/28/370859028.db2.gz VVTFSWVFOADJGG-SHARSMKWSA-N 2 1 249.402 2.390 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000385505466 367838278 /nfs/dbraw/zinc/83/82/78/367838278.db2.gz QVFHAEJJVYDHOM-VXGBXAGGSA-N 2 1 210.365 2.271 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000618570501 369172792 /nfs/dbraw/zinc/17/27/92/369172792.db2.gz LNCGYDVAFMNVEM-RRFJBIMHSA-N 2 1 249.402 2.390 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1C#N ZINC000600709660 369559730 /nfs/dbraw/zinc/55/97/30/369559730.db2.gz PHRBBDGULVPNTR-JSGCOSHPSA-N 2 1 243.354 2.036 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000313509998 384440337 /nfs/dbraw/zinc/44/03/37/384440337.db2.gz ZQNREESWBVUVJL-FRRDWIJNSA-N 2 1 210.365 2.271 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000313510001 384440746 /nfs/dbraw/zinc/44/07/46/384440746.db2.gz ZQNREESWBVUVJL-RWMBFGLXSA-N 2 1 210.365 2.271 20 30 BEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCCC#N)C1 ZINC000176277382 384589793 /nfs/dbraw/zinc/58/97/93/384589793.db2.gz HOKVKKVHORMVGK-CQSZACIVSA-N 2 1 237.391 2.344 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000176277382 384589799 /nfs/dbraw/zinc/58/97/99/384589799.db2.gz HOKVKKVHORMVGK-CQSZACIVSA-N 2 1 237.391 2.344 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000176277382 384589805 /nfs/dbraw/zinc/58/98/05/384589805.db2.gz HOKVKKVHORMVGK-CQSZACIVSA-N 2 1 237.391 2.344 20 30 BEEDMP CC#CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000156793440 384960071 /nfs/dbraw/zinc/96/00/71/384960071.db2.gz GTGKCNJQRBGUCB-GDBMZVCRSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000156793440 384960080 /nfs/dbraw/zinc/96/00/80/384960080.db2.gz GTGKCNJQRBGUCB-GDBMZVCRSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156793440 384960089 /nfs/dbraw/zinc/96/00/89/384960089.db2.gz GTGKCNJQRBGUCB-GDBMZVCRSA-N 2 1 246.398 2.349 20 30 BEEDMP C=C(C)COCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000163522608 385248797 /nfs/dbraw/zinc/24/87/97/385248797.db2.gz DWVZGSOPNWOLMF-HUUCEWRRSA-N 2 1 246.354 2.314 20 30 BEEDMP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CC)CC1 ZINC000309212706 385481109 /nfs/dbraw/zinc/48/11/09/385481109.db2.gz TUUYAGWZVAESMJ-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP CC(C)[N@H+](C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000221780976 385506041 /nfs/dbraw/zinc/50/60/41/385506041.db2.gz LMVHDLZZUWUKRS-UHFFFAOYSA-N 2 1 245.370 2.378 20 30 BEEDMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000221780976 385506044 /nfs/dbraw/zinc/50/60/44/385506044.db2.gz LMVHDLZZUWUKRS-UHFFFAOYSA-N 2 1 245.370 2.378 20 30 BEEDMP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000564335550 385528781 /nfs/dbraw/zinc/52/87/81/385528781.db2.gz OLCSUWGSBVVZAB-CQSZACIVSA-N 2 1 231.343 2.165 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H]2CCC[C@@H]21 ZINC000414159852 386044632 /nfs/dbraw/zinc/04/46/32/386044632.db2.gz CBWAINNHRUEYAG-RDBSUJKOSA-N 2 1 249.402 2.389 20 30 BEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000347034087 386223077 /nfs/dbraw/zinc/22/30/77/386223077.db2.gz BWTRKQGUXOEXAV-AWEZNQCLSA-N 2 1 246.354 2.032 20 30 BEEDMP C=CCSCC[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395090425 386857240 /nfs/dbraw/zinc/85/72/40/386857240.db2.gz UKRYXMVGAVRFLH-RYUDHWBXSA-N 2 1 228.405 2.026 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)CCC#N ZINC000571979322 387215616 /nfs/dbraw/zinc/21/56/16/387215616.db2.gz CHZPAWGXDDABQL-GFCCVEGCSA-N 2 1 234.347 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)CCC#N ZINC000571979322 387215619 /nfs/dbraw/zinc/21/56/19/387215619.db2.gz CHZPAWGXDDABQL-GFCCVEGCSA-N 2 1 234.347 2.206 20 30 BEEDMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423380141 387262864 /nfs/dbraw/zinc/26/28/64/387262864.db2.gz GZHCSFXFKPCCHP-BFHYXJOUSA-N 2 1 249.402 2.437 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000459730047 387274899 /nfs/dbraw/zinc/27/48/99/387274899.db2.gz LGTLJSQJFPNEMY-CHWSQXEVSA-N 2 1 237.391 2.246 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000459730052 387275746 /nfs/dbraw/zinc/27/57/46/387275746.db2.gz LGTLJSQJFPNEMY-OLZOCXBDSA-N 2 1 237.391 2.246 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000328003265 387638824 /nfs/dbraw/zinc/63/88/24/387638824.db2.gz OHBQIRMLVAJAKV-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC(C)(C)C1 ZINC000328003265 387638827 /nfs/dbraw/zinc/63/88/27/387638827.db2.gz OHBQIRMLVAJAKV-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000430750450 387647166 /nfs/dbraw/zinc/64/71/66/387647166.db2.gz NTVXKCIGRKTWHV-STQMWFEESA-N 2 1 235.375 2.000 20 30 BEEDMP C[N@H+](CCN[C@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442782673 387839625 /nfs/dbraw/zinc/83/96/25/387839625.db2.gz LUIHGNUWRWKKAU-STQMWFEESA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442782673 387839634 /nfs/dbraw/zinc/83/96/34/387839634.db2.gz LUIHGNUWRWKKAU-STQMWFEESA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@@H+](CC[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442782673 387839637 /nfs/dbraw/zinc/83/96/37/387839637.db2.gz LUIHGNUWRWKKAU-STQMWFEESA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442796867 387841779 /nfs/dbraw/zinc/84/17/79/387841779.db2.gz WHNRGKFYRSQLBQ-KBPBESRZSA-N 2 1 246.358 2.254 20 30 BEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442798402 387844758 /nfs/dbraw/zinc/84/47/58/387844758.db2.gz WXCOEMIHOKPWOQ-MRVWCRGKSA-N 2 1 246.358 2.110 20 30 BEEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423155886 387935156 /nfs/dbraw/zinc/93/51/56/387935156.db2.gz RKIQZZYDRKQBFR-XGUBFFRZSA-N 2 1 244.338 2.064 20 30 BEEDMP C=CCC[C@@H](CCC)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177121 387963789 /nfs/dbraw/zinc/96/37/89/387963789.db2.gz AHBLVEXBBNGSFC-OLZOCXBDSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCC[C@H](CCC)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423177123 387964327 /nfs/dbraw/zinc/96/43/27/387964327.db2.gz AHBLVEXBBNGSFC-STQMWFEESA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423188632 387972666 /nfs/dbraw/zinc/97/26/66/387972666.db2.gz LVOUIUSPYFWCRE-QWHCGFSZSA-N 2 1 210.365 2.463 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289843 388035570 /nfs/dbraw/zinc/03/55/70/388035570.db2.gz JFVIIJCVCJFFHA-NIFZNCRKSA-N 2 1 249.402 2.387 20 30 BEEDMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC000423262582 388039763 /nfs/dbraw/zinc/03/97/63/388039763.db2.gz MTFHRHSMXZXTMQ-MOKVOYLWSA-N 2 1 237.391 2.422 20 30 BEEDMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000453416440 388077955 /nfs/dbraw/zinc/07/79/55/388077955.db2.gz XNZQWYPOYOGJPR-STQMWFEESA-N 2 1 235.375 2.143 20 30 BEEDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492391 388205302 /nfs/dbraw/zinc/20/53/02/388205302.db2.gz SNWYVRNEHVDKRH-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492391 388205304 /nfs/dbraw/zinc/20/53/04/388205304.db2.gz SNWYVRNEHVDKRH-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000037256236 388242283 /nfs/dbraw/zinc/24/22/83/388242283.db2.gz GNZISUDSTZKDOW-LBPRGKRZSA-N 2 1 243.354 2.303 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000491621818 388305598 /nfs/dbraw/zinc/30/55/98/388305598.db2.gz GZFUISUACPHJOT-CABCVRRESA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000491621818 388305599 /nfs/dbraw/zinc/30/55/99/388305599.db2.gz GZFUISUACPHJOT-CABCVRRESA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000491653727 388308253 /nfs/dbraw/zinc/30/82/53/388308253.db2.gz DDWGDVCCCGMJHD-KFWWJZLASA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000491653727 388308254 /nfs/dbraw/zinc/30/82/54/388308254.db2.gz DDWGDVCCCGMJHD-KFWWJZLASA-N 2 1 234.387 2.110 20 30 BEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CCCC#N)CC1 ZINC000524156156 388347827 /nfs/dbraw/zinc/34/78/27/388347827.db2.gz NVCRPOLBKAMWNG-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP C=C(C)C[N@H+](CC)CCCc1c[nH+]cn1C ZINC000573216957 388433163 /nfs/dbraw/zinc/43/31/63/388433163.db2.gz RZVBWFISAOUAHW-UHFFFAOYSA-N 2 1 221.348 2.251 20 30 BEEDMP C=C(C)C[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000573216957 388433165 /nfs/dbraw/zinc/43/31/65/388433165.db2.gz RZVBWFISAOUAHW-UHFFFAOYSA-N 2 1 221.348 2.251 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C)CC1 ZINC000328160562 388558391 /nfs/dbraw/zinc/55/83/91/388558391.db2.gz HYNZUWIPJNCREK-UHFFFAOYSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C)CC1 ZINC000328160562 388558393 /nfs/dbraw/zinc/55/83/93/388558393.db2.gz HYNZUWIPJNCREK-UHFFFAOYSA-N 2 1 222.376 2.110 20 30 BEEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000552100477 388669922 /nfs/dbraw/zinc/66/99/22/388669922.db2.gz JZYKYHKBNFSZBN-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000552100477 388669923 /nfs/dbraw/zinc/66/99/23/388669923.db2.gz JZYKYHKBNFSZBN-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423266680 388689738 /nfs/dbraw/zinc/68/97/38/388689738.db2.gz DVMLRVKNYAQSTJ-BXUZGUMPSA-N 2 1 231.343 2.192 20 30 BEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423266682 388690125 /nfs/dbraw/zinc/69/01/25/388690125.db2.gz DVMLRVKNYAQSTJ-RISCZKNCSA-N 2 1 231.343 2.192 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000129345154 388834029 /nfs/dbraw/zinc/83/40/29/388834029.db2.gz QTRRZGYYUOGORG-CHWSQXEVSA-N 2 1 242.432 2.226 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000556149574 388868234 /nfs/dbraw/zinc/86/82/34/388868234.db2.gz FUUWKPNDUFTMBJ-WLYUNCDWSA-N 2 1 249.402 2.390 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)COCC)CC1 ZINC000153020310 388918921 /nfs/dbraw/zinc/91/89/21/388918921.db2.gz KGMUYYATISMYSO-CYBMUJFWSA-N 2 1 240.391 2.042 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCOC)CC1 ZINC000153035991 388933962 /nfs/dbraw/zinc/93/39/62/388933962.db2.gz BFFFANZFWLPURZ-ZDUSSCGKSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271859915 389027008 /nfs/dbraw/zinc/02/70/08/389027008.db2.gz KCVOAJSVBTYPIY-OLZOCXBDSA-N 2 1 222.376 2.439 20 30 BEEDMP C#C[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000377701969 533296172 /nfs/dbraw/zinc/29/61/72/533296172.db2.gz OFWXJKULGSNZMH-ZDUSSCGKSA-N 2 1 234.387 2.395 20 30 BEEDMP Cc1ncc2n1CC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172496559 974847272 /nfs/dbraw/zinc/84/72/72/974847272.db2.gz NWLFQAPTKKJTGS-LLVKDONJSA-N 2 1 232.331 2.090 20 30 BEEDMP Cc1ncc2n1CCN([C@H](C)CCCC#N)C2 ZINC001172496559 974847279 /nfs/dbraw/zinc/84/72/79/974847279.db2.gz NWLFQAPTKKJTGS-LLVKDONJSA-N 2 1 232.331 2.090 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC=C)C1CC1 ZINC000294865180 135187805 /nfs/dbraw/zinc/18/78/05/135187805.db2.gz CGBMXTKBDGPMCJ-OAHLLOKOSA-N 2 1 234.387 2.276 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC=C)C1CC1 ZINC000294865180 135187807 /nfs/dbraw/zinc/18/78/07/135187807.db2.gz CGBMXTKBDGPMCJ-OAHLLOKOSA-N 2 1 234.387 2.276 20 30 BEEDMP C=CC[NH+](CC#CC[N@H+](CC=C)C1CC1)C1CC1 ZINC000341914665 135244541 /nfs/dbraw/zinc/24/45/41/135244541.db2.gz VXNYOKDRFCJGEO-UHFFFAOYSA-N 2 1 244.382 2.291 20 30 BEEDMP C#CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268700912 135364345 /nfs/dbraw/zinc/36/43/45/135364345.db2.gz BRFUXSUZMVTZNV-GOEBONIOSA-N 2 1 242.366 2.120 20 30 BEEDMP C#CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268700912 135364347 /nfs/dbraw/zinc/36/43/47/135364347.db2.gz BRFUXSUZMVTZNV-GOEBONIOSA-N 2 1 242.366 2.120 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000295037831 135379102 /nfs/dbraw/zinc/37/91/02/135379102.db2.gz PEOKTIKOAUNFEF-CQSZACIVSA-N 2 1 248.370 2.145 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000295037831 135379103 /nfs/dbraw/zinc/37/91/03/135379103.db2.gz PEOKTIKOAUNFEF-CQSZACIVSA-N 2 1 248.370 2.145 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157979657 397938840 /nfs/dbraw/zinc/93/88/40/397938840.db2.gz KOJSDXYFYMKSSY-CHWSQXEVSA-N 2 1 208.349 2.169 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000271195089 166129916 /nfs/dbraw/zinc/12/99/16/166129916.db2.gz DGFCPAHDUNXTLQ-KBPBESRZSA-N 2 1 231.343 2.179 20 30 BEEDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(C)(C)C#N)C1 ZINC000119698846 410178224 /nfs/dbraw/zinc/17/82/24/410178224.db2.gz BLQQLQWHPUUHAU-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000119698846 410178229 /nfs/dbraw/zinc/17/82/29/410178229.db2.gz BLQQLQWHPUUHAU-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119698846 410178233 /nfs/dbraw/zinc/17/82/33/410178233.db2.gz BLQQLQWHPUUHAU-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)C1CC1 ZINC000119910247 166296059 /nfs/dbraw/zinc/29/60/59/166296059.db2.gz QDJQGBQQBQWPDR-CQSZACIVSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000336740838 166301065 /nfs/dbraw/zinc/30/10/65/166301065.db2.gz MOKXOZVJRNGFKM-QWRGUYRKSA-N 2 1 219.332 2.211 20 30 BEEDMP C=CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665237823 410727534 /nfs/dbraw/zinc/72/75/34/410727534.db2.gz KTGRJXHHCVMUAN-OCCSQVGLSA-N 2 1 218.344 2.111 20 30 BEEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754383 411184335 /nfs/dbraw/zinc/18/43/35/411184335.db2.gz PBUVNUCNZVIENX-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754381 411184551 /nfs/dbraw/zinc/18/45/51/411184551.db2.gz PBUVNUCNZVIENX-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000222079393 411292847 /nfs/dbraw/zinc/29/28/47/411292847.db2.gz RUOCIDQGACYFNZ-WUHRBBMRSA-N 2 1 210.365 2.269 20 30 BEEDMP C=CC[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000656787928 411367397 /nfs/dbraw/zinc/36/73/97/411367397.db2.gz ZQMNEALGFZNYCT-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404370510 411392694 /nfs/dbraw/zinc/39/26/94/411392694.db2.gz QUIFADDCQXXXQC-QWHCGFSZSA-N 2 1 210.365 2.402 20 30 BEEDMP C=CC[N@@H+](CCCC1CC[NH2+]CC1)C1CC1 ZINC000131665694 411590825 /nfs/dbraw/zinc/59/08/25/411590825.db2.gz VOVIPWCVLDHHEZ-UHFFFAOYSA-N 2 1 222.376 2.417 20 30 BEEDMP C=C(CC)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660662708 411616014 /nfs/dbraw/zinc/61/60/14/411616014.db2.gz LQYUQGWNKFBSRI-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660662708 411616015 /nfs/dbraw/zinc/61/60/15/411616015.db2.gz LQYUQGWNKFBSRI-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662708 411616016 /nfs/dbraw/zinc/61/60/16/411616016.db2.gz LQYUQGWNKFBSRI-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000661380424 411763009 /nfs/dbraw/zinc/76/30/09/411763009.db2.gz GYTFZNGHMCDOQT-AWEZNQCLSA-N 2 1 233.359 2.480 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000308900316 487692794 /nfs/dbraw/zinc/69/27/94/487692794.db2.gz BEPZYWSQXWCFHW-TUAOUCFPSA-N 2 1 228.767 2.201 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000308900316 487692798 /nfs/dbraw/zinc/69/27/98/487692798.db2.gz BEPZYWSQXWCFHW-TUAOUCFPSA-N 2 1 228.767 2.201 20 30 BEEDMP C=CC[NH+](C)Cc1cncc(C[N@@H+](C)CC=C)c1 ZINC000562699184 323027801 /nfs/dbraw/zinc/02/78/01/323027801.db2.gz XLLPPMCKXOJWNE-UHFFFAOYSA-N 2 1 245.370 2.317 20 30 BEEDMP N#CCC[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000562985745 323077955 /nfs/dbraw/zinc/07/79/55/323077955.db2.gz RJCBDLDLUPBWKC-UHFFFAOYSA-N 2 1 243.354 2.286 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000563968941 323335051 /nfs/dbraw/zinc/33/50/51/323335051.db2.gz HVCARDXWOCKJDM-GFCCVEGCSA-N 2 1 219.332 2.176 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000328268641 324367769 /nfs/dbraw/zinc/36/77/69/324367769.db2.gz NCPSBJPFUGGPRR-UONOGXRCSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000328268641 324367775 /nfs/dbraw/zinc/36/77/75/324367775.db2.gz NCPSBJPFUGGPRR-UONOGXRCSA-N 2 1 222.376 2.110 20 30 BEEDMP C[N@H+](CCCC#N)CC[C@@H]1CCCC[NH+]1C ZINC000075860020 325318470 /nfs/dbraw/zinc/31/84/70/325318470.db2.gz QTBBNNVSBDTJCO-ZDUSSCGKSA-N 2 1 223.364 2.096 20 30 BEEDMP C[N@@H+](CCCC#N)CC[C@@H]1CCCC[NH+]1C ZINC000075860020 325318472 /nfs/dbraw/zinc/31/84/72/325318472.db2.gz QTBBNNVSBDTJCO-ZDUSSCGKSA-N 2 1 223.364 2.096 20 30 BEEDMP C[NH+](CCCC#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860020 325318474 /nfs/dbraw/zinc/31/84/74/325318474.db2.gz QTBBNNVSBDTJCO-ZDUSSCGKSA-N 2 1 223.364 2.096 20 30 BEEDMP C[NH+](CCCC#N)CC[C@@H]1CCCC[N@H+]1C ZINC000075860020 325318475 /nfs/dbraw/zinc/31/84/75/325318475.db2.gz QTBBNNVSBDTJCO-ZDUSSCGKSA-N 2 1 223.364 2.096 20 30 BEEDMP C=CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658113678 487544806 /nfs/dbraw/zinc/54/48/06/487544806.db2.gz IHRBHQLSMSXSML-UPJWGTAASA-N 2 1 208.349 2.025 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678219385 488219393 /nfs/dbraw/zinc/21/93/93/488219393.db2.gz BWLUZQBGLGELTH-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678219385 488219397 /nfs/dbraw/zinc/21/93/97/488219397.db2.gz BWLUZQBGLGELTH-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000652190232 490167570 /nfs/dbraw/zinc/16/75/70/490167570.db2.gz GYIQMHPEYKGFQB-CHWSQXEVSA-N 2 1 233.359 2.297 20 30 BEEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000491726265 491080156 /nfs/dbraw/zinc/08/01/56/491080156.db2.gz CWZQFSJZCROTGS-UHFFFAOYSA-N 2 1 245.370 2.231 20 30 BEEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)C1CCCC1 ZINC000491726265 491080157 /nfs/dbraw/zinc/08/01/57/491080157.db2.gz CWZQFSJZCROTGS-UHFFFAOYSA-N 2 1 245.370 2.231 20 30 BEEDMP C=C(CC)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000358506940 534370211 /nfs/dbraw/zinc/37/02/11/534370211.db2.gz JOUUKABDPPHVHB-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000358506940 534370217 /nfs/dbraw/zinc/37/02/17/534370217.db2.gz JOUUKABDPPHVHB-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000358506940 534370229 /nfs/dbraw/zinc/37/02/29/534370229.db2.gz JOUUKABDPPHVHB-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309028871 534693911 /nfs/dbraw/zinc/69/39/11/534693911.db2.gz AAPZGGRKUCUXJE-CHWSQXEVSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173913843 534716939 /nfs/dbraw/zinc/71/69/39/534716939.db2.gz MTJNOHJCNXKFKE-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173913843 534716947 /nfs/dbraw/zinc/71/69/47/534716947.db2.gz MTJNOHJCNXKFKE-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000173913843 534716949 /nfs/dbraw/zinc/71/69/49/534716949.db2.gz MTJNOHJCNXKFKE-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C#CC[N@H+](C)CCCNc1cc[nH+]c(CC)c1 ZINC000307767251 526829968 /nfs/dbraw/zinc/82/99/68/526829968.db2.gz HCWKZPGSGZRBGW-UHFFFAOYSA-N 2 1 231.343 2.011 20 30 BEEDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361462120 535003897 /nfs/dbraw/zinc/00/38/97/535003897.db2.gz FCJFSBASWNZXDF-ZIAGYGMSSA-N 2 1 237.391 2.389 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC=C(C)CC1 ZINC000894863752 583536269 /nfs/dbraw/zinc/53/62/69/583536269.db2.gz QODLMHSSWLPZFB-AWEZNQCLSA-N 2 1 220.360 2.030 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC=C(C)CC1 ZINC000894863752 583536271 /nfs/dbraw/zinc/53/62/71/583536271.db2.gz QODLMHSSWLPZFB-AWEZNQCLSA-N 2 1 220.360 2.030 20 30 BEEDMP C=C(Cl)C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348759 584559778 /nfs/dbraw/zinc/55/97/78/584559778.db2.gz WJDQEWPGFSMTBF-JTQLQIEISA-N 2 1 216.756 2.107 20 30 BEEDMP C[N@H+]1CC[C@H](NCC2(C#N)CCC2)[C@H]2CCC[C@H]21 ZINC000903035668 584718908 /nfs/dbraw/zinc/71/89/08/584718908.db2.gz SHJLDOUYLTWMIZ-HZSPNIEDSA-N 2 1 247.386 2.143 20 30 BEEDMP C[C@@](C[NH3+])([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000903426808 584760978 /nfs/dbraw/zinc/76/09/78/584760978.db2.gz OKMUTAYIUJOIHO-YIZWMMSDSA-N 2 1 235.375 2.033 20 30 BEEDMP C[NH2+]C[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903420962 584763936 /nfs/dbraw/zinc/76/39/36/584763936.db2.gz HZYVPESGQUEVPL-NRXISQOPSA-N 2 1 249.402 2.248 20 30 BEEDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903424747 584764923 /nfs/dbraw/zinc/76/49/23/584764923.db2.gz DRTYBGPMTULKIJ-URGYJCLVSA-N 2 1 249.402 2.376 20 30 BEEDMP N#Cc1cc(Cl)cc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000903447105 584770576 /nfs/dbraw/zinc/77/05/76/584770576.db2.gz FGUMWYNJVJKDGU-UHFFFAOYSA-N 2 1 249.745 2.183 20 30 BEEDMP N#CC1(CCCC[N@@H+]2CCC[NH2+]CC2)CCC1 ZINC000903713703 584793695 /nfs/dbraw/zinc/79/36/95/584793695.db2.gz ZVHGYTQDLYYUQS-UHFFFAOYSA-N 2 1 235.375 2.146 20 30 BEEDMP N#CC1(CCCC[N@H+]2CCC[NH2+]CC2)CCC1 ZINC000903713703 584793697 /nfs/dbraw/zinc/79/36/97/584793697.db2.gz ZVHGYTQDLYYUQS-UHFFFAOYSA-N 2 1 235.375 2.146 20 30 BEEDMP C=CC[N@@H+](C[C@H]1CCCC[NH2+]C1)C1CC1 ZINC000903760176 584797423 /nfs/dbraw/zinc/79/74/23/584797423.db2.gz VSLYUGZMRAERKX-LBPRGKRZSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@H+](CC)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903850228 584808213 /nfs/dbraw/zinc/80/82/13/584808213.db2.gz MQVNPINDWIJXQJ-OLZOCXBDSA-N 2 1 210.365 2.130 20 30 BEEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904309201 584862851 /nfs/dbraw/zinc/86/28/51/584862851.db2.gz COGLXVBSDYFXGJ-GASCZTMLSA-N 2 1 230.355 2.412 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000839609342 585333106 /nfs/dbraw/zinc/33/31/06/585333106.db2.gz LDHYSGZUTWFZOM-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000839609342 585333107 /nfs/dbraw/zinc/33/31/07/585333107.db2.gz LDHYSGZUTWFZOM-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000839609342 585333108 /nfs/dbraw/zinc/33/31/08/585333108.db2.gz LDHYSGZUTWFZOM-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000766903568 585510584 /nfs/dbraw/zinc/51/05/84/585510584.db2.gz SLHAAIHHDPUXBY-KGLIPLIRSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000766903571 585510687 /nfs/dbraw/zinc/51/06/87/585510687.db2.gz SLHAAIHHDPUXBY-UONOGXRCSA-N 2 1 222.376 2.204 20 30 BEEDMP C#C[C@@H](C)[NH+](C)CCCCCC[N@H+](C)[C@H](C)C#C ZINC000769961091 585567621 /nfs/dbraw/zinc/56/76/21/585567621.db2.gz ISXDIJNSEARJHI-HZPDHXFCSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000815652032 586690325 /nfs/dbraw/zinc/69/03/25/586690325.db2.gz LSEYDYLRFKNCCK-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000815652032 586690327 /nfs/dbraw/zinc/69/03/27/586690327.db2.gz LSEYDYLRFKNCCK-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CCN(Cc1cnc2n1CCC2)C1CCCC1 ZINC000824900390 587292343 /nfs/dbraw/zinc/29/23/43/587292343.db2.gz ALPWPRQSCAALOL-UHFFFAOYSA-N 2 1 243.354 2.207 20 30 BEEDMP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000834903764 587770083 /nfs/dbraw/zinc/77/00/83/587770083.db2.gz REWFVTVDOCYIKQ-XJKSGUPXSA-N 2 1 242.366 2.240 20 30 BEEDMP CC[N@H+]1CC[C@H](NCC2(C#N)CCC2)[C@H](C)C1 ZINC000841898940 587983014 /nfs/dbraw/zinc/98/30/14/587983014.db2.gz QRORIJFJLZKRGU-OLZOCXBDSA-N 2 1 235.375 2.000 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000846172607 588259308 /nfs/dbraw/zinc/25/93/08/588259308.db2.gz ZNYCSTGQTYAYLO-HUUCEWRRSA-N 2 1 234.387 2.276 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000846172607 588259309 /nfs/dbraw/zinc/25/93/09/588259309.db2.gz ZNYCSTGQTYAYLO-HUUCEWRRSA-N 2 1 234.387 2.276 20 30 BEEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000846775923 588287646 /nfs/dbraw/zinc/28/76/46/588287646.db2.gz GCHHOIQSTITXKF-UHFFFAOYSA-N 2 1 221.348 2.249 20 30 BEEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)C(C)C ZINC000846775923 588287647 /nfs/dbraw/zinc/28/76/47/588287647.db2.gz GCHHOIQSTITXKF-UHFFFAOYSA-N 2 1 221.348 2.249 20 30 BEEDMP C=C(Cl)CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000852108891 588664271 /nfs/dbraw/zinc/66/42/71/588664271.db2.gz PEJBSRWSIUYKDR-GFCCVEGCSA-N 2 1 228.767 2.157 20 30 BEEDMP C#C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369222 589205198 /nfs/dbraw/zinc/20/51/98/589205198.db2.gz ROQDPUNFMGWTSO-CHWSQXEVSA-N 2 1 236.403 2.497 20 30 BEEDMP C#C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369222 589205199 /nfs/dbraw/zinc/20/51/99/589205199.db2.gz ROQDPUNFMGWTSO-CHWSQXEVSA-N 2 1 236.403 2.497 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000872139240 589880297 /nfs/dbraw/zinc/88/02/97/589880297.db2.gz ANAQTMRIBXHAHI-KLHDSHLOSA-N 2 1 246.398 2.395 20 30 BEEDMP C[N@H+]1CC[C@H]2C[NH+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000877744553 590410911 /nfs/dbraw/zinc/41/09/11/590410911.db2.gz VJZRYMYMKPRLDD-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000877744553 590410914 /nfs/dbraw/zinc/41/09/14/590410914.db2.gz VJZRYMYMKPRLDD-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000877744553 590410916 /nfs/dbraw/zinc/41/09/16/590410916.db2.gz VJZRYMYMKPRLDD-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@H+]1CC[C@H]2C[NH+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000877744551 590411337 /nfs/dbraw/zinc/41/13/37/590411337.db2.gz VJZRYMYMKPRLDD-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000877744551 590411339 /nfs/dbraw/zinc/41/13/39/590411339.db2.gz VJZRYMYMKPRLDD-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@@H]21 ZINC000877744551 590411341 /nfs/dbraw/zinc/41/13/41/590411341.db2.gz VJZRYMYMKPRLDD-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C#C[C@H](C)N(C)Cc1c(C)cc(C)nc1C ZINC000878517409 590585878 /nfs/dbraw/zinc/58/58/78/590585878.db2.gz RNRBYLTWYJLONM-LBPRGKRZSA-N 2 1 216.328 2.460 20 30 BEEDMP C=CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259145 590978498 /nfs/dbraw/zinc/97/84/98/590978498.db2.gz NINPDQVRMVQHIK-CYBMUJFWSA-N 2 1 231.343 2.168 20 30 BEEDMP C=C(C)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880262627 590980027 /nfs/dbraw/zinc/98/00/27/590980027.db2.gz QREVHBFDQDXVPD-CYBMUJFWSA-N 2 1 231.343 2.168 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883430110 591661442 /nfs/dbraw/zinc/66/14/42/591661442.db2.gz NHRNDGWBMAPESP-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C#CC[C@@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000886364218 592218426 /nfs/dbraw/zinc/21/84/26/592218426.db2.gz SGXOCENBIOPGGJ-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C=CCOCCCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925709791 634408180 /nfs/dbraw/zinc/40/81/80/634408180.db2.gz OLOSYSWFVNNYIY-HIFRSBDPSA-N 2 1 248.370 2.257 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCCCC ZINC000328205318 633741617 /nfs/dbraw/zinc/74/16/17/633741617.db2.gz UTFVHUCXXHYMBM-AWEZNQCLSA-N 2 1 224.392 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCCCC ZINC000328205318 633741624 /nfs/dbraw/zinc/74/16/24/633741624.db2.gz UTFVHUCXXHYMBM-AWEZNQCLSA-N 2 1 224.392 2.500 20 30 BEEDMP C=CCCC[N@H+](CC)C[C@@]1(C)CC[NH2+]C1 ZINC000904471565 637425689 /nfs/dbraw/zinc/42/56/89/637425689.db2.gz JBZMHNKILIOVBX-ZDUSSCGKSA-N 2 1 210.365 2.274 20 30 BEEDMP C=C(CC)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310063 640146500 /nfs/dbraw/zinc/14/65/00/640146500.db2.gz BMIUGCNNFLGSCS-ZIAGYGMSSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518676 640250534 /nfs/dbraw/zinc/25/05/34/640250534.db2.gz QYSSVHPPCKZTOM-UHFFFAOYSA-N 2 1 231.343 2.378 20 30 BEEDMP C=CCCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518676 640250540 /nfs/dbraw/zinc/25/05/40/640250540.db2.gz QYSSVHPPCKZTOM-UHFFFAOYSA-N 2 1 231.343 2.378 20 30 BEEDMP C#CCCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933733539 640761328 /nfs/dbraw/zinc/76/13/28/640761328.db2.gz UGKUIFWQZAWVOI-CVEARBPZSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933733539 640761331 /nfs/dbraw/zinc/76/13/31/640761331.db2.gz UGKUIFWQZAWVOI-CVEARBPZSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933733539 640761334 /nfs/dbraw/zinc/76/13/34/640761334.db2.gz UGKUIFWQZAWVOI-CVEARBPZSA-N 2 1 248.414 2.454 20 30 BEEDMP C=CC[C@H]1CC[N@H+]1CCCn1cc[nH+]c1C ZINC000934460733 641153438 /nfs/dbraw/zinc/15/34/38/641153438.db2.gz NYIRPCADPZSTRD-ZDUSSCGKSA-N 2 1 219.332 2.232 20 30 BEEDMP C=CC[C@H]1CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000934460733 641153440 /nfs/dbraw/zinc/15/34/40/641153440.db2.gz NYIRPCADPZSTRD-ZDUSSCGKSA-N 2 1 219.332 2.232 20 30 BEEDMP C=CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000232625672 641309409 /nfs/dbraw/zinc/30/94/09/641309409.db2.gz KODPLKAMMOTTSL-STQMWFEESA-N 2 1 210.365 2.271 20 30 BEEDMP C=CCCC[N@H+](CC)CC1CC[NH2+]CC1 ZINC000086703182 644165224 /nfs/dbraw/zinc/16/52/24/644165224.db2.gz AGGMQCJSNXAWFB-UHFFFAOYSA-N 2 1 210.365 2.274 20 30 BEEDMP C=CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192976929 644204131 /nfs/dbraw/zinc/20/41/31/644204131.db2.gz QVJJYXZTKGURHH-YHWZYXNKSA-N 2 1 240.416 2.120 20 30 BEEDMP N#C[C@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923431686 644424103 /nfs/dbraw/zinc/42/41/03/644424103.db2.gz GMAJPIQDDPJTNV-NUDNTCICSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000766240036 644664924 /nfs/dbraw/zinc/66/49/24/644664924.db2.gz UEHSPRVNTPVMHF-UHFFFAOYSA-N 2 1 207.321 2.088 20 30 BEEDMP C=CC[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000766240036 644664938 /nfs/dbraw/zinc/66/49/38/644664938.db2.gz UEHSPRVNTPVMHF-UHFFFAOYSA-N 2 1 207.321 2.088 20 30 BEEDMP CCCCCCC[N@@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250843447 644781852 /nfs/dbraw/zinc/78/18/52/644781852.db2.gz ZAOXYIRJULEMKM-STQMWFEESA-N 2 1 228.380 2.005 20 30 BEEDMP CCCCCCC[N@H+]1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250843447 644781854 /nfs/dbraw/zinc/78/18/54/644781854.db2.gz ZAOXYIRJULEMKM-STQMWFEESA-N 2 1 228.380 2.005 20 30 BEEDMP C#CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000830316352 645119118 /nfs/dbraw/zinc/11/91/18/645119118.db2.gz OPLPMNQNHTWRTE-HNNXBMFYSA-N 2 1 234.387 2.206 20 30 BEEDMP C[NH+](C)C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929637008 646215667 /nfs/dbraw/zinc/21/56/67/646215667.db2.gz AGPFFBAIBWTWMQ-YMAMQOFZSA-N 2 1 249.402 2.200 20 30 BEEDMP C=C(Cl)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925567408 646338098 /nfs/dbraw/zinc/33/80/98/646338098.db2.gz DCIGRNTUEHEURH-OLZOCXBDSA-N 2 1 242.794 2.497 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000701911390 712032057 /nfs/dbraw/zinc/03/20/57/712032057.db2.gz VSPJREVICDONIX-NWDGAFQWSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000715052075 712505404 /nfs/dbraw/zinc/50/54/04/712505404.db2.gz HGYPRNRLOFNEFP-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382126873 710797587 /nfs/dbraw/zinc/79/75/87/710797587.db2.gz NWDPFLMLMKSSPM-YMAMQOFZSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382126873 710797591 /nfs/dbraw/zinc/79/75/91/710797591.db2.gz NWDPFLMLMKSSPM-YMAMQOFZSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000383029146 710841441 /nfs/dbraw/zinc/84/14/41/710841441.db2.gz CFJJVBSYKYMECZ-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000383029146 710841445 /nfs/dbraw/zinc/84/14/45/710841445.db2.gz CFJJVBSYKYMECZ-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000383060835 710976363 /nfs/dbraw/zinc/97/63/63/710976363.db2.gz NHYYMYZXEVFUFT-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000383060835 710976366 /nfs/dbraw/zinc/97/63/66/710976366.db2.gz NHYYMYZXEVFUFT-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000383060837 710976374 /nfs/dbraw/zinc/97/63/74/710976374.db2.gz NHYYMYZXEVFUFT-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000383060837 710976377 /nfs/dbraw/zinc/97/63/77/710976377.db2.gz NHYYMYZXEVFUFT-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000385875235 711019292 /nfs/dbraw/zinc/01/92/92/711019292.db2.gz ZPAXWXJQXOLNMC-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cc(C)cc(C)c1 ZINC000385875235 711019295 /nfs/dbraw/zinc/01/92/95/711019295.db2.gz ZPAXWXJQXOLNMC-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000392779804 711152608 /nfs/dbraw/zinc/15/26/08/711152608.db2.gz YQOJBJXDEGTKHN-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000392779804 711152611 /nfs/dbraw/zinc/15/26/11/711152611.db2.gz YQOJBJXDEGTKHN-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C=CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000395383516 711210115 /nfs/dbraw/zinc/21/01/15/711210115.db2.gz KOMSUJKNQALADY-YHWZYXNKSA-N 2 1 222.376 2.413 20 30 BEEDMP C=CCCSCC[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925711303 711711399 /nfs/dbraw/zinc/71/13/99/711711399.db2.gz ZOAAISCTFVMWSB-NSHDSACASA-N 2 1 228.405 2.026 20 30 BEEDMP CCCCCCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313342600 711718699 /nfs/dbraw/zinc/71/86/99/711718699.db2.gz GSMAJQAJTZOKNO-AWEZNQCLSA-N 2 1 242.407 2.397 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000703644113 712083062 /nfs/dbraw/zinc/08/30/62/712083062.db2.gz PWUMCGDZTPHBMM-MCIONIFRSA-N 2 1 222.376 2.130 20 30 BEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000705862675 712137580 /nfs/dbraw/zinc/13/75/80/712137580.db2.gz QRWZYAUMYSCNBY-MNOVXSKESA-N 2 1 232.318 2.257 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000705862675 712137582 /nfs/dbraw/zinc/13/75/82/712137582.db2.gz QRWZYAUMYSCNBY-MNOVXSKESA-N 2 1 232.318 2.257 20 30 BEEDMP C[C@H](CC(C)(C)C#N)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000709965810 712234987 /nfs/dbraw/zinc/23/49/87/712234987.db2.gz RZEACAGSTHIDIG-GFCCVEGCSA-N 2 1 235.375 2.166 20 30 BEEDMP C[NH+](C)CC(C)(C)C[NH+]1CCC(C)(C#N)CC1 ZINC001207282471 1166270726 /nfs/dbraw/zinc/27/07/26/1166270726.db2.gz KDHOXMURGCCNEI-UHFFFAOYSA-N 2 1 237.391 2.200 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000328009262 1166392166 /nfs/dbraw/zinc/39/21/66/1166392166.db2.gz PORFCSJMJNCYEM-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000328009262 1166392171 /nfs/dbraw/zinc/39/21/71/1166392171.db2.gz PORFCSJMJNCYEM-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](CC#N)C2)CC1 ZINC001254524601 969705652 /nfs/dbraw/zinc/70/56/52/969705652.db2.gz XLSYPXWXPRRFMO-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001254524601 969705662 /nfs/dbraw/zinc/70/56/62/969705662.db2.gz XLSYPXWXPRRFMO-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001254524601 969705671 /nfs/dbraw/zinc/70/56/71/969705671.db2.gz XLSYPXWXPRRFMO-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172479712 974780180 /nfs/dbraw/zinc/78/01/80/974780180.db2.gz NUDRIPCVSALOLW-OLZOCXBDSA-N 2 1 223.364 2.000 20 30 BEEDMP CC(C)[N@@H+](CCC[NH3+])C1CCC(C#N)CC1 ZINC001256953849 971029282 /nfs/dbraw/zinc/02/92/82/971029282.db2.gz PKPVDWLCVSXRGD-UHFFFAOYSA-N 2 1 223.364 2.128 20 30 BEEDMP C#CCCC[N@H+](CCC)CCC[NH+](C)C ZINC001209267876 957372636 /nfs/dbraw/zinc/37/26/36/957372636.db2.gz NFENPHZOSZARNF-UHFFFAOYSA-N 2 1 210.365 2.064 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+][C@H](CC)C[NH3+])C[C@H](C1)C2 ZINC001246309723 972270464 /nfs/dbraw/zinc/27/04/64/972270464.db2.gz AAPCEWVUSTXTPM-RBKKPWLPSA-N 2 1 222.376 2.448 20 30 BEEDMP CCCCCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000694573674 959922677 /nfs/dbraw/zinc/92/26/77/959922677.db2.gz PYEJWFGHOMYMDO-UHFFFAOYSA-N 2 1 210.365 2.380 20 30 BEEDMP C#CC[N@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001167833420 961181937 /nfs/dbraw/zinc/18/19/37/961181937.db2.gz BCCMJCDVQNTIMB-ZDUSSCGKSA-N 2 1 210.365 2.062 20 30 BEEDMP C#Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)cc1 ZINC001206633305 962155484 /nfs/dbraw/zinc/15/54/84/962155484.db2.gz VRZXZTOQFZILSX-INIZCTEOSA-N 2 1 242.366 2.229 20 30 BEEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC001254653358 1169812348 /nfs/dbraw/zinc/81/23/48/1169812348.db2.gz MVBDPVRAWVZDCC-QPSCCSFWSA-N 2 1 249.402 2.387 20 30 BEEDMP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC001254653359 1169814967 /nfs/dbraw/zinc/81/49/67/1169814967.db2.gz MVBDPVRAWVZDCC-TUVASFSCSA-N 2 1 249.402 2.387 20 30 BEEDMP C#CC(C)(C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960770 962863161 /nfs/dbraw/zinc/86/31/61/962863161.db2.gz BXRFCBRDCONZAV-GOOCMWNKSA-N 2 1 246.398 2.393 20 30 BEEDMP Cc1ccc(CC#N)c(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154988143 962934849 /nfs/dbraw/zinc/93/48/49/962934849.db2.gz PELDWLKRHPCXBU-QWHCGFSZSA-N 2 1 244.342 2.138 20 30 BEEDMP N#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167967102 963032720 /nfs/dbraw/zinc/03/27/20/963032720.db2.gz BMXAXXMFYOZHIS-GOOCMWNKSA-N 2 1 247.386 2.285 20 30 BEEDMP Cc1ccc(CC#N)c(N(CCC[NH3+])C(C)C)[nH+]1 ZINC001156124605 963263117 /nfs/dbraw/zinc/26/31/17/963263117.db2.gz XSHRLKKJMHGNCX-UHFFFAOYSA-N 2 1 246.358 2.020 20 30 BEEDMP Cc1ccc(CC#N)c(NCC[C@H]2CCC[NH2+]2)[nH+]1 ZINC001158626937 963896237 /nfs/dbraw/zinc/89/62/37/963896237.db2.gz KZRAYEIXAWGAIA-CYBMUJFWSA-N 2 1 244.342 2.010 20 30 BEEDMP CCCCCCC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235976955 966192782 /nfs/dbraw/zinc/19/27/82/966192782.db2.gz DLNOUTVSAILPNW-QWHCGFSZSA-N 2 1 210.365 2.380 20 30 BEEDMP N#Cc1cc(C[N@H+]2CCC[C@H]([NH3+])CC2)ccc1F ZINC001205095358 967336599 /nfs/dbraw/zinc/33/65/99/967336599.db2.gz XGMZFTNJDSQSHW-ZDUSSCGKSA-N 2 1 247.317 2.011 20 30 BEEDMP N#Cc1cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)ccc1F ZINC001205095358 967336609 /nfs/dbraw/zinc/33/66/09/967336609.db2.gz XGMZFTNJDSQSHW-ZDUSSCGKSA-N 2 1 247.317 2.011 20 30 BEEDMP CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205937759 967890334 /nfs/dbraw/zinc/89/03/34/967890334.db2.gz CMGVTCSLVOHDLW-ZIAGYGMSSA-N 2 1 242.407 2.131 20 30 BEEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001207487198 968797180 /nfs/dbraw/zinc/79/71/80/968797180.db2.gz SDVUXZGUAWTENQ-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[N@@H+](CCC#N)CCC1CC[NH+](C)CC1 ZINC001207485549 968799343 /nfs/dbraw/zinc/79/93/43/968799343.db2.gz WCEARRYPCUVNSH-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP C=CCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209201968 969390414 /nfs/dbraw/zinc/39/04/14/969390414.db2.gz SVNJHQUNYRRESV-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209201968 969390417 /nfs/dbraw/zinc/39/04/17/969390417.db2.gz SVNJHQUNYRRESV-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC001327841762 972753462 /nfs/dbraw/zinc/75/34/62/972753462.db2.gz ZEISUNWEEFVDQB-WDEREUQCSA-N 2 1 249.333 2.346 20 30 BEEDMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001246579922 972914403 /nfs/dbraw/zinc/91/44/03/972914403.db2.gz VGQDXJPIIDOMHF-MCIONIFRSA-N 2 1 235.375 2.130 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001172130397 974355401 /nfs/dbraw/zinc/35/54/01/974355401.db2.gz OQRHJHLIKYETJN-XGUBFFRZSA-N 2 1 247.386 2.237 20 30 BEEDMP C#C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172123572 974390346 /nfs/dbraw/zinc/39/03/46/974390346.db2.gz FDMCOZCIBBQOBH-CAOSSQGBSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123572 974390347 /nfs/dbraw/zinc/39/03/47/974390347.db2.gz FDMCOZCIBBQOBH-CAOSSQGBSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123572 974390353 /nfs/dbraw/zinc/39/03/53/974390353.db2.gz FDMCOZCIBBQOBH-CAOSSQGBSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123572 974390361 /nfs/dbraw/zinc/39/03/61/974390361.db2.gz FDMCOZCIBBQOBH-CAOSSQGBSA-N 2 1 246.398 2.347 20 30 BEEDMP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001172300782 974513513 /nfs/dbraw/zinc/51/35/13/974513513.db2.gz ZGYQYIQEWIORBM-QWHCGFSZSA-N 2 1 245.370 2.016 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001172479296 974778994 /nfs/dbraw/zinc/77/89/94/974778994.db2.gz KSFSRAOSGQOITF-UONOGXRCSA-N 2 1 237.391 2.390 20 30 BEEDMP Cc1ncc2n1CC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172496560 974848371 /nfs/dbraw/zinc/84/83/71/974848371.db2.gz NWLFQAPTKKJTGS-NSHDSACASA-N 2 1 232.331 2.090 20 30 BEEDMP Cc1ncc2n1CCN([C@@H](C)CCCC#N)C2 ZINC001172496560 974848373 /nfs/dbraw/zinc/84/83/73/974848373.db2.gz NWLFQAPTKKJTGS-NSHDSACASA-N 2 1 232.331 2.090 20 30 BEEDMP C#CC[N@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173113717 975024274 /nfs/dbraw/zinc/02/42/74/975024274.db2.gz CQQYXWKWCQHADM-UHFFFAOYSA-N 2 1 222.376 2.204 20 30 BEEDMP CC[NH+](CC)C1CCC([N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001173114301 975025221 /nfs/dbraw/zinc/02/52/21/975025221.db2.gz FNQGAZKHFYRSPJ-NFOMZHRRSA-N 2 1 249.402 2.485 20 30 BEEDMP C[N@H+]1CC[C@@H](C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325597 975273640 /nfs/dbraw/zinc/27/36/40/975273640.db2.gz LJKSKCXHMIATQY-MOKVOYLWSA-N 2 1 235.375 2.000 20 30 BEEDMP CC#CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC001337989196 978581605 /nfs/dbraw/zinc/58/16/05/978581605.db2.gz ZYBRMSJDPBQKQK-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP CC#CCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001337989196 978581610 /nfs/dbraw/zinc/58/16/10/978581610.db2.gz ZYBRMSJDPBQKQK-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP CC#CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC001337989196 978581612 /nfs/dbraw/zinc/58/16/12/978581612.db2.gz ZYBRMSJDPBQKQK-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP C=CCCCCCCC[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235285530 979016520 /nfs/dbraw/zinc/01/65/20/979016520.db2.gz SVEGNXMNFJDMSJ-BTTYYORXSA-N 2 1 222.376 2.402 20 30 BEEDMP C#Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236216193 979453336 /nfs/dbraw/zinc/45/33/36/979453336.db2.gz IWOQYPJXYQQKNH-JKSUJKDBSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236216193 979453340 /nfs/dbraw/zinc/45/33/40/979453340.db2.gz IWOQYPJXYQQKNH-JKSUJKDBSA-N 2 1 242.366 2.370 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205601981 981159235 /nfs/dbraw/zinc/15/92/35/981159235.db2.gz HNCOOBCWWJIAOO-OLZOCXBDSA-N 2 1 210.365 2.259 20 30 BEEDMP C=CCCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001274962146 984419248 /nfs/dbraw/zinc/41/92/48/984419248.db2.gz HNARJFZVUOOKJO-UHFFFAOYSA-N 2 1 222.376 2.370 20 30 BEEDMP C#CCCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001275975920 984758420 /nfs/dbraw/zinc/75/84/20/984758420.db2.gz RTJLMCZWTSZIPS-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CCCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275975920 984758439 /nfs/dbraw/zinc/75/84/39/984758439.db2.gz RTJLMCZWTSZIPS-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CCCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001275975920 984758463 /nfs/dbraw/zinc/75/84/63/984758463.db2.gz RTJLMCZWTSZIPS-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258718905 986049921 /nfs/dbraw/zinc/04/99/21/986049921.db2.gz XEFZMQABEIYLGU-OLZOCXBDSA-N 2 1 210.365 2.415 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](C#N)CC2)CC1 ZINC001254524856 986668605 /nfs/dbraw/zinc/66/86/05/986668605.db2.gz DESCNAQCMJOKGI-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](C#N)CC2)CC1 ZINC001254524858 986670588 /nfs/dbraw/zinc/67/05/88/986670588.db2.gz DESCNAQCMJOKGI-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C2 ZINC001254645210 986695344 /nfs/dbraw/zinc/69/53/44/986695344.db2.gz AZGWIORCMRRJCW-KHMAMNHCSA-N 2 1 247.386 2.284 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C2 ZINC001254645210 986695357 /nfs/dbraw/zinc/69/53/57/986695357.db2.gz AZGWIORCMRRJCW-KHMAMNHCSA-N 2 1 247.386 2.284 20 30 BEEDMP CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001255153580 986825705 /nfs/dbraw/zinc/82/57/05/986825705.db2.gz ZCSXKNUMCPJOEQ-STQMWFEESA-N 2 1 223.364 2.000 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246111633 987447733 /nfs/dbraw/zinc/44/77/33/987447733.db2.gz PRFCCSBZJCXYDD-PEUVFPKISA-N 2 1 234.387 2.463 20 30 BEEDMP C[C@@H]1CC[C@H]([NH2+]C23CCC(C#N)(CC2)CC3)C[NH2+]1 ZINC001246264652 987658478 /nfs/dbraw/zinc/65/84/78/987658478.db2.gz NZFUGOJPUALYBM-DNDYEEKYSA-N 2 1 247.386 2.333 20 30 BEEDMP C[C@H]1CC[C@H]([NH2+]CCCCCCS)C[NH2+]1 ZINC001246461337 987820509 /nfs/dbraw/zinc/82/05/09/987820509.db2.gz APHNAECZIWAEHT-RYUDHWBXSA-N 2 1 230.421 2.207 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553698 987960281 /nfs/dbraw/zinc/96/02/81/987960281.db2.gz BWCHHJBHVPVTCA-MNOVXSKESA-N 2 1 232.318 2.257 20 30 BEEDMP CC[C@@H](CC#N)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246578451 988088882 /nfs/dbraw/zinc/08/88/82/988088882.db2.gz RDYSGIJQFAECFF-QWHCGFSZSA-N 2 1 223.364 2.130 20 30 BEEDMP C[C@@H](CCCC#N)[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643993 988359321 /nfs/dbraw/zinc/35/93/21/988359321.db2.gz OSFMYEUQQKSIGA-UONOGXRCSA-N 2 1 235.375 2.287 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246643993 988359334 /nfs/dbraw/zinc/35/93/34/988359334.db2.gz OSFMYEUQQKSIGA-UONOGXRCSA-N 2 1 235.375 2.287 20 30 BEEDMP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246834841 988534747 /nfs/dbraw/zinc/53/47/47/988534747.db2.gz QMPKHYQZCWTVBX-QDPPLYFOSA-N 2 1 245.370 2.036 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247013654 988842056 /nfs/dbraw/zinc/84/20/56/988842056.db2.gz HODZIJRYYUSXFW-IHRRRGAJSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247013654 988842058 /nfs/dbraw/zinc/84/20/58/988842058.db2.gz HODZIJRYYUSXFW-IHRRRGAJSA-N 2 1 222.376 2.415 20 30 BEEDMP CC[N@@H+](C[C@@H](C)C#N)CC1CC[NH+](CC)CC1 ZINC001560693296 991557176 /nfs/dbraw/zinc/55/71/76/991557176.db2.gz CPEZQOJMHZLGQL-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258723478 991660536 /nfs/dbraw/zinc/66/05/36/991660536.db2.gz WEFDUYQCAMKFFC-CYBMUJFWSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001258732825 991675151 /nfs/dbraw/zinc/67/51/51/991675151.db2.gz CGCOSJFTHUSIEA-BFHYXJOUSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001258733450 991679062 /nfs/dbraw/zinc/67/90/62/991679062.db2.gz GJNLCQDZNKHRRS-BFHYXJOUSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001574900102 992942722 /nfs/dbraw/zinc/94/27/22/992942722.db2.gz PSWPZDVSDKIFCT-XQQFMLRXSA-N 2 1 208.349 2.073 20 30 BEEDMP C=CC[N@H+](CCc1ccco1)CC[C@@H]1CC[NH2+]C1 ZINC001574929420 992944229 /nfs/dbraw/zinc/94/42/29/992944229.db2.gz CNZRXXMVBPEVTF-AWEZNQCLSA-N 2 1 248.370 2.310 20 30 BEEDMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1C#N ZINC000700725638 993849023 /nfs/dbraw/zinc/84/90/23/993849023.db2.gz JTFLFBSMIAGRMW-UHFFFAOYSA-N 2 1 245.370 2.250 20 30 BEEDMP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1C#N ZINC000700725638 993849026 /nfs/dbraw/zinc/84/90/26/993849026.db2.gz JTFLFBSMIAGRMW-UHFFFAOYSA-N 2 1 245.370 2.250 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000602444003 349545370 /nfs/dbraw/zinc/54/53/70/349545370.db2.gz IJKDCMMRGHVXGX-KGLIPLIRSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000602444003 349545372 /nfs/dbraw/zinc/54/53/72/349545372.db2.gz IJKDCMMRGHVXGX-KGLIPLIRSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000602444003 349545375 /nfs/dbraw/zinc/54/53/75/349545375.db2.gz IJKDCMMRGHVXGX-KGLIPLIRSA-N 2 1 237.391 2.200 20 30 BEEDMP N#CC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000602515696 349573026 /nfs/dbraw/zinc/57/30/26/349573026.db2.gz BODWWCGJZUJERT-PFSRBDOWSA-N 2 1 247.386 2.285 20 30 BEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602527943 349578270 /nfs/dbraw/zinc/57/82/70/349578270.db2.gz NLSKGMRKAMEHBX-SLTAFYQDSA-N 2 1 249.402 2.390 20 30 BEEDMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000019958436 398315624 /nfs/dbraw/zinc/31/56/24/398315624.db2.gz LCSDAUYNIGOBPK-LBPRGKRZSA-N 2 1 231.343 2.161 20 30 BEEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602651989 349659470 /nfs/dbraw/zinc/65/94/70/349659470.db2.gz BWILQBQPTSTLNG-KBPBESRZSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602651989 349659471 /nfs/dbraw/zinc/65/94/71/349659471.db2.gz BWILQBQPTSTLNG-KBPBESRZSA-N 2 1 237.391 2.390 20 30 BEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602658435 349663689 /nfs/dbraw/zinc/66/36/89/349663689.db2.gz XNFRCENUGVUELM-KBPBESRZSA-N 2 1 237.391 2.246 20 30 BEEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1C ZINC000602681528 349673568 /nfs/dbraw/zinc/67/35/68/349673568.db2.gz VZWYRHFLYXYNDL-RFGFWPKPSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1C ZINC000602681528 349673571 /nfs/dbraw/zinc/67/35/71/349673571.db2.gz VZWYRHFLYXYNDL-RFGFWPKPSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1C ZINC000602681529 349673637 /nfs/dbraw/zinc/67/36/37/349673637.db2.gz VZWYRHFLYXYNDL-XDQVBPFNSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1C ZINC000602681529 349673638 /nfs/dbraw/zinc/67/36/38/349673638.db2.gz VZWYRHFLYXYNDL-XDQVBPFNSA-N 2 1 235.375 2.141 20 30 BEEDMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000602877708 349789978 /nfs/dbraw/zinc/78/99/78/349789978.db2.gz KMRUJNOXXAQXOU-ZIAGYGMSSA-N 2 1 247.386 2.096 20 30 BEEDMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccc(C#N)cc1 ZINC000343748690 343289812 /nfs/dbraw/zinc/28/98/12/343289812.db2.gz VYHRWPSZTFSXGC-AWEZNQCLSA-N 2 1 231.343 2.021 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000126851511 344184720 /nfs/dbraw/zinc/18/47/20/344184720.db2.gz WGXGNVMRUGHCRY-AVGNSLFASA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000126851511 344184721 /nfs/dbraw/zinc/18/47/21/344184721.db2.gz WGXGNVMRUGHCRY-AVGNSLFASA-N 2 1 210.365 2.413 20 30 BEEDMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](CC#N)C1 ZINC000260227240 344738478 /nfs/dbraw/zinc/73/84/78/344738478.db2.gz WGMOWCAFQJITSU-HUUCEWRRSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CC#N)C1 ZINC000260227240 344738480 /nfs/dbraw/zinc/73/84/80/344738480.db2.gz WGMOWCAFQJITSU-HUUCEWRRSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000260227240 344738485 /nfs/dbraw/zinc/73/84/85/344738485.db2.gz WGMOWCAFQJITSU-HUUCEWRRSA-N 2 1 249.402 2.486 20 30 BEEDMP CC#CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000156646003 187296974 /nfs/dbraw/zinc/29/69/74/187296974.db2.gz BZASYUPJVPGKEL-LBPRGKRZSA-N 2 1 217.316 2.003 20 30 BEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000070169396 345442748 /nfs/dbraw/zinc/44/27/48/345442748.db2.gz MMNOCZIERHYJOR-ZDUSSCGKSA-N 2 1 243.354 2.119 20 30 BEEDMP N#Cc1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000070169395 345442772 /nfs/dbraw/zinc/44/27/72/345442772.db2.gz MMNOCZIERHYJOR-CYBMUJFWSA-N 2 1 243.354 2.119 20 30 BEEDMP CC(C)(CCC#N)C[N@@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353683428 534998483 /nfs/dbraw/zinc/99/84/83/534998483.db2.gz FNJUVSNYQUYODS-CHWSQXEVSA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)(CCC#N)C[N@H+]1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353683428 534998486 /nfs/dbraw/zinc/99/84/86/534998486.db2.gz FNJUVSNYQUYODS-CHWSQXEVSA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361462118 535004571 /nfs/dbraw/zinc/00/45/71/535004571.db2.gz FCJFSBASWNZXDF-KGLIPLIRSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CCOc1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000142371142 345705317 /nfs/dbraw/zinc/70/53/17/345705317.db2.gz SYKHDOZUZYBQRK-UHFFFAOYSA-N 2 1 246.354 2.175 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)CC=C ZINC000294869052 346306324 /nfs/dbraw/zinc/30/63/24/346306324.db2.gz COWNPCVWQFDUQF-KGLIPLIRSA-N 2 1 222.376 2.132 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)CC=C ZINC000294869052 346306326 /nfs/dbraw/zinc/30/63/26/346306326.db2.gz COWNPCVWQFDUQF-KGLIPLIRSA-N 2 1 222.376 2.132 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000294904133 346318766 /nfs/dbraw/zinc/31/87/66/346318766.db2.gz FRSOYPFPPWKMDZ-ZDUSSCGKSA-N 2 1 248.345 2.431 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000294904133 346318768 /nfs/dbraw/zinc/31/87/68/346318768.db2.gz FRSOYPFPPWKMDZ-ZDUSSCGKSA-N 2 1 248.345 2.431 20 30 BEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000589195486 346672973 /nfs/dbraw/zinc/67/29/73/346672973.db2.gz ZRQXOJKOOMJJIE-KFWWJZLASA-N 2 1 249.402 2.389 20 30 BEEDMP CC1(C#N)CCC([NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000591578057 347677389 /nfs/dbraw/zinc/67/73/89/347677389.db2.gz QIIWAGAZMJJHKK-ROKHWSDSSA-N 2 1 235.375 2.191 20 30 BEEDMP N#CC1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000594738887 348110630 /nfs/dbraw/zinc/11/06/30/348110630.db2.gz IQCYTLFKQCJEET-ZDUSSCGKSA-N 2 1 235.375 2.192 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504107 348264560 /nfs/dbraw/zinc/26/45/60/348264560.db2.gz FEHGWMCFNPVVGH-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504107 348264562 /nfs/dbraw/zinc/26/45/62/348264562.db2.gz FEHGWMCFNPVVGH-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504107 348264563 /nfs/dbraw/zinc/26/45/63/348264563.db2.gz FEHGWMCFNPVVGH-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C#N)c1 ZINC000596649305 348605228 /nfs/dbraw/zinc/60/52/28/348605228.db2.gz YKSKBBXMKHUHKN-LBPRGKRZSA-N 2 1 243.354 2.480 20 30 BEEDMP C=CCCSCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000596649906 348605438 /nfs/dbraw/zinc/60/54/38/348605438.db2.gz HJBSMNVHQKTWIQ-CHWSQXEVSA-N 2 1 242.432 2.416 20 30 BEEDMP C=CCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623510035 362935580 /nfs/dbraw/zinc/93/55/80/362935580.db2.gz DMCIBRFLOJOJHD-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)CC1(C)C ZINC000598973585 349069828 /nfs/dbraw/zinc/06/98/28/349069828.db2.gz BBTHAEMWJASKPB-LBPRGKRZSA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](C)C#N ZINC000336706575 350455990 /nfs/dbraw/zinc/45/59/90/350455990.db2.gz GHKUENAPIACMGX-GFCCVEGCSA-N 2 1 234.347 2.063 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](C)C#N ZINC000336706575 350455993 /nfs/dbraw/zinc/45/59/93/350455993.db2.gz GHKUENAPIACMGX-GFCCVEGCSA-N 2 1 234.347 2.063 20 30 BEEDMP CC#CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000336718444 350469992 /nfs/dbraw/zinc/46/99/92/350469992.db2.gz FRDFQFNSISUHKB-UHFFFAOYSA-N 2 1 234.387 2.350 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000336719046 350473242 /nfs/dbraw/zinc/47/32/42/350473242.db2.gz VDVRAPSJKULXGN-LBPRGKRZSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336719046 350473248 /nfs/dbraw/zinc/47/32/48/350473248.db2.gz VDVRAPSJKULXGN-LBPRGKRZSA-N 2 1 246.358 2.206 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000411323985 191179104 /nfs/dbraw/zinc/17/91/04/191179104.db2.gz JWQJMQAJZWPMQR-MCIONIFRSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000411323985 191179107 /nfs/dbraw/zinc/17/91/07/191179107.db2.gz JWQJMQAJZWPMQR-MCIONIFRSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000411323985 191179109 /nfs/dbraw/zinc/17/91/09/191179109.db2.gz JWQJMQAJZWPMQR-MCIONIFRSA-N 2 1 235.375 2.095 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000336751427 353059578 /nfs/dbraw/zinc/05/95/78/353059578.db2.gz VHVYOWJQLPMROU-QWHCGFSZSA-N 2 1 222.376 2.273 20 30 BEEDMP C#Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000290127151 353648844 /nfs/dbraw/zinc/64/88/44/353648844.db2.gz URTVLWMWXULYMH-MRXNPFEDSA-N 2 1 242.366 2.051 20 30 BEEDMP C#Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000290127151 353648847 /nfs/dbraw/zinc/64/88/47/353648847.db2.gz URTVLWMWXULYMH-MRXNPFEDSA-N 2 1 242.366 2.051 20 30 BEEDMP C#Cc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000289206687 353619824 /nfs/dbraw/zinc/61/98/24/353619824.db2.gz IEJJDYXAAMRUQO-INIZCTEOSA-N 2 1 242.366 2.242 20 30 BEEDMP C#Cc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000289206687 353619825 /nfs/dbraw/zinc/61/98/25/353619825.db2.gz IEJJDYXAAMRUQO-INIZCTEOSA-N 2 1 242.366 2.242 20 30 BEEDMP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000295079167 353800584 /nfs/dbraw/zinc/80/05/84/353800584.db2.gz SZHDIJZQSOYUQC-ZDUSSCGKSA-N 2 1 248.370 2.448 20 30 BEEDMP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000343502164 353915478 /nfs/dbraw/zinc/91/54/78/353915478.db2.gz JZYGBZQEYRYJCT-CYBMUJFWSA-N 2 1 240.391 2.042 20 30 BEEDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351224327 355964185 /nfs/dbraw/zinc/96/41/85/355964185.db2.gz KDAQAFSNGHCOBC-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351224327 355964187 /nfs/dbraw/zinc/96/41/87/355964187.db2.gz KDAQAFSNGHCOBC-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351224327 355964189 /nfs/dbraw/zinc/96/41/89/355964189.db2.gz KDAQAFSNGHCOBC-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000351224327 355964191 /nfs/dbraw/zinc/96/41/91/355964191.db2.gz KDAQAFSNGHCOBC-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP C=CCCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420359113 192221789 /nfs/dbraw/zinc/22/17/89/192221789.db2.gz FYPDSQAOBGXPTI-CYBMUJFWSA-N 2 1 210.365 2.450 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420392280 192236112 /nfs/dbraw/zinc/23/61/12/192236112.db2.gz ZOKYOVQZHDJZBH-CYBMUJFWSA-N 2 1 208.349 2.028 20 30 BEEDMP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(C)n2)CC1 ZINC000359717942 134196846 /nfs/dbraw/zinc/19/68/46/134196846.db2.gz QFTSDUIYUSMTOH-UHFFFAOYSA-N 2 1 246.358 2.156 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@H]2CCC[C@H]21 ZINC000367616965 134215795 /nfs/dbraw/zinc/21/57/95/134215795.db2.gz MRZMJCWPHQEBAF-HZSPNIEDSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074538 134235393 /nfs/dbraw/zinc/23/53/93/134235393.db2.gz LIJKBWNZWSHWPR-UHFFFAOYSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623422728 358207894 /nfs/dbraw/zinc/20/78/94/358207894.db2.gz CDCWRTUAYLYCEK-VXGBXAGGSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000126757554 358554411 /nfs/dbraw/zinc/55/44/11/358554411.db2.gz UPIJNBRBWPVKLB-CHWSQXEVSA-N 2 1 222.376 2.415 20 30 BEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(C)(C)C#N)CC[C@H]21 ZINC000129116939 358584014 /nfs/dbraw/zinc/58/40/14/358584014.db2.gz FGASJUZCYWNDEB-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000129116939 358584017 /nfs/dbraw/zinc/58/40/17/358584017.db2.gz FGASJUZCYWNDEB-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000129116939 358584021 /nfs/dbraw/zinc/58/40/21/358584021.db2.gz FGASJUZCYWNDEB-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C=C(C)COCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623449574 359343278 /nfs/dbraw/zinc/34/32/78/359343278.db2.gz BIMKZNAHESZNQS-CYBMUJFWSA-N 2 1 240.391 2.042 20 30 BEEDMP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000429726982 201130109 /nfs/dbraw/zinc/13/01/09/201130109.db2.gz RKXHTYXHBIPXNU-DZGCQCFKSA-N 2 1 247.386 2.239 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000629547131 361430583 /nfs/dbraw/zinc/43/05/83/361430583.db2.gz FEDAMKGPGWCYTA-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(C)(C)C#N ZINC000433320376 201181449 /nfs/dbraw/zinc/18/14/49/201181449.db2.gz UHPLMEPJGFDSPM-UHFFFAOYSA-N 2 1 248.374 2.453 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(C)(C)C#N ZINC000433320376 201181453 /nfs/dbraw/zinc/18/14/53/201181453.db2.gz UHPLMEPJGFDSPM-UHFFFAOYSA-N 2 1 248.374 2.453 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000629650403 361548305 /nfs/dbraw/zinc/54/83/05/361548305.db2.gz UPQGYTYFSUZQPT-GFCCVEGCSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000629650403 361548313 /nfs/dbraw/zinc/54/83/13/361548313.db2.gz UPQGYTYFSUZQPT-GFCCVEGCSA-N 2 1 210.365 2.273 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000152946809 201213026 /nfs/dbraw/zinc/21/30/26/201213026.db2.gz LBSLAOVWVCBDFC-CYBMUJFWSA-N 2 1 240.416 2.122 20 30 BEEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000574324158 365037394 /nfs/dbraw/zinc/03/73/94/365037394.db2.gz HDFWANIVLHUQSO-HZSPNIEDSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000574324158 365037398 /nfs/dbraw/zinc/03/73/98/365037398.db2.gz HDFWANIVLHUQSO-HZSPNIEDSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384849790 367742614 /nfs/dbraw/zinc/74/26/14/367742614.db2.gz LAPFDFNWINPSNT-STQMWFEESA-N 2 1 222.376 2.415 20 30 BEEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000459732133 203344615 /nfs/dbraw/zinc/34/46/15/203344615.db2.gz OQUREXMXHZVFTH-STQMWFEESA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000070074508 371008183 /nfs/dbraw/zinc/00/81/83/371008183.db2.gz ZSLQPXDAJVLCFY-GXTWGEPZSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000070074508 371008186 /nfs/dbraw/zinc/00/81/86/371008186.db2.gz ZSLQPXDAJVLCFY-GXTWGEPZSA-N 2 1 243.354 2.117 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886428 372682478 /nfs/dbraw/zinc/68/24/78/372682478.db2.gz HBCAXGBUHCIDRL-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886428 372682486 /nfs/dbraw/zinc/68/24/86/372682486.db2.gz HBCAXGBUHCIDRL-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)CCC(C)(C)C#N)CC1 ZINC000087595431 535458040 /nfs/dbraw/zinc/45/80/40/535458040.db2.gz IFQUDHFCTYBRDH-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)CCC(C)(C)C#N)CC1 ZINC000087595431 535458044 /nfs/dbraw/zinc/45/80/44/535458044.db2.gz IFQUDHFCTYBRDH-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP C=CCCC[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000300056440 384283406 /nfs/dbraw/zinc/28/34/06/384283406.db2.gz QAIHFVXFWBAJDR-CHWSQXEVSA-N 2 1 210.365 2.273 20 30 BEEDMP C=C(C)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000174771158 384361900 /nfs/dbraw/zinc/36/19/00/384361900.db2.gz SGPOVKOWUNAVEM-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP C=C(C)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000174771158 384361903 /nfs/dbraw/zinc/36/19/03/384361903.db2.gz SGPOVKOWUNAVEM-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP C[C@@H]1C[C@@H](C)[NH+](CC#CC[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000556497918 384415664 /nfs/dbraw/zinc/41/56/64/384415664.db2.gz RLIDPROBASSJSB-FPCVCCKLSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1C[C@@H](C)[N@H+](CC#CC[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000556497918 384415669 /nfs/dbraw/zinc/41/56/69/384415669.db2.gz RLIDPROBASSJSB-FPCVCCKLSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1C[C@@H](C)[N@@H+](CC#CC[NH+]2C[C@H](C)C[C@@H]2C)C1 ZINC000556497918 384415673 /nfs/dbraw/zinc/41/56/73/384415673.db2.gz RLIDPROBASSJSB-FPCVCCKLSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC#N ZINC000566106106 384449950 /nfs/dbraw/zinc/44/99/50/384449950.db2.gz GTNIJMURERYOGU-ZDUSSCGKSA-N 2 1 223.364 2.144 20 30 BEEDMP C#C[C@@H](CC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000310026167 384571542 /nfs/dbraw/zinc/57/15/42/384571542.db2.gz PJVSDBLCKXMFDJ-LBPRGKRZSA-N 2 1 222.376 2.251 20 30 BEEDMP C=C(CC)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308638023 384885080 /nfs/dbraw/zinc/88/50/80/384885080.db2.gz VPGONYDFOVRRLN-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP CC(C)(C#N)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000119675719 384942655 /nfs/dbraw/zinc/94/26/55/384942655.db2.gz XQMNHYXPEQRHCG-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP N#CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157119164 385076868 /nfs/dbraw/zinc/07/68/68/385076868.db2.gz HFFROWKVTJIYFM-AWEZNQCLSA-N 2 1 235.375 2.240 20 30 BEEDMP N#CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157119164 385076871 /nfs/dbraw/zinc/07/68/71/385076871.db2.gz HFFROWKVTJIYFM-AWEZNQCLSA-N 2 1 235.375 2.240 20 30 BEEDMP N#CCC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000602776858 385821395 /nfs/dbraw/zinc/82/13/95/385821395.db2.gz FGWCPLHJMQQHFY-AWEZNQCLSA-N 2 1 247.386 2.098 20 30 BEEDMP N#CCC1(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000602776858 385821400 /nfs/dbraw/zinc/82/14/00/385821400.db2.gz FGWCPLHJMQQHFY-AWEZNQCLSA-N 2 1 247.386 2.098 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394726743 385917687 /nfs/dbraw/zinc/91/76/87/385917687.db2.gz ITQCDLYOKVRGBB-CQSZACIVSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC12CCC2 ZINC000394726743 385917690 /nfs/dbraw/zinc/91/76/90/385917690.db2.gz ITQCDLYOKVRGBB-CQSZACIVSA-N 2 1 234.387 2.254 20 30 BEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647882083 386216863 /nfs/dbraw/zinc/21/68/63/386216863.db2.gz IJPFLXKGYQTHHA-INIZCTEOSA-N 2 1 244.382 2.327 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453307730 386389212 /nfs/dbraw/zinc/38/92/12/386389212.db2.gz CASQIBGKNLPKKM-MGPQQGTHSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415013029 386495952 /nfs/dbraw/zinc/49/59/52/386495952.db2.gz ULQKVCSYDDLBOR-NEPJUHHUSA-N 2 1 234.343 2.077 20 30 BEEDMP C=CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1 ZINC000415013032 386496070 /nfs/dbraw/zinc/49/60/70/386496070.db2.gz ULQKVCSYDDLBOR-VXGBXAGGSA-N 2 1 234.343 2.077 20 30 BEEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975490 386565227 /nfs/dbraw/zinc/56/52/27/386565227.db2.gz BASDXGHJPFXNOW-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423357523 387208714 /nfs/dbraw/zinc/20/87/14/387208714.db2.gz IFANLGGGRRHUIM-QNWHQSFQSA-N 2 1 210.365 2.175 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)CCC#N ZINC000571979323 387215033 /nfs/dbraw/zinc/21/50/33/387215033.db2.gz CHZPAWGXDDABQL-LBPRGKRZSA-N 2 1 234.347 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)CCC#N ZINC000571979323 387215037 /nfs/dbraw/zinc/21/50/37/387215037.db2.gz CHZPAWGXDDABQL-LBPRGKRZSA-N 2 1 234.347 2.206 20 30 BEEDMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423380145 387261544 /nfs/dbraw/zinc/26/15/44/387261544.db2.gz GZHCSFXFKPCCHP-MELADBBJSA-N 2 1 249.402 2.437 20 30 BEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502025 387356979 /nfs/dbraw/zinc/35/69/79/387356979.db2.gz WHTYJUCUCMMXNM-XQQFMLRXSA-N 2 1 210.365 2.319 20 30 BEEDMP C=C(C)C[N@H+](CC)CCCn1cc[nH+]c1C ZINC000269693538 387420561 /nfs/dbraw/zinc/42/05/61/387420561.db2.gz JDENQLFUXJACEY-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=C(C)C[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000269693538 387420565 /nfs/dbraw/zinc/42/05/65/387420565.db2.gz JDENQLFUXJACEY-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CCCC1 ZINC000327996123 387636895 /nfs/dbraw/zinc/63/68/95/387636895.db2.gz MOJCPEXEQLSKQK-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CCCC1 ZINC000327996123 387636902 /nfs/dbraw/zinc/63/69/02/387636902.db2.gz MOJCPEXEQLSKQK-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422983296 387794320 /nfs/dbraw/zinc/79/43/20/387794320.db2.gz SQUUCXRQVCNORW-YDHLFZDLSA-N 2 1 232.371 2.499 20 30 BEEDMP C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999865 387805768 /nfs/dbraw/zinc/80/57/68/387805768.db2.gz TWGLVWKSSWQFGE-SWLSCSKDSA-N 2 1 243.354 2.229 20 30 BEEDMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000442634966 387809546 /nfs/dbraw/zinc/80/95/46/387809546.db2.gz ICUGZIALGNDVSI-STQMWFEESA-N 2 1 235.375 2.143 20 30 BEEDMP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000442709964 387827106 /nfs/dbraw/zinc/82/71/06/387827106.db2.gz BMPZJHOQZIZQFE-ILXRZTDVSA-N 2 1 249.402 2.389 20 30 BEEDMP C[N@H+](CCN[C@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442782671 387838346 /nfs/dbraw/zinc/83/83/46/387838346.db2.gz LUIHGNUWRWKKAU-OLZOCXBDSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442782671 387838351 /nfs/dbraw/zinc/83/83/51/387838351.db2.gz LUIHGNUWRWKKAU-OLZOCXBDSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@@H+](CC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCC1 ZINC000442782671 387838356 /nfs/dbraw/zinc/83/83/56/387838356.db2.gz LUIHGNUWRWKKAU-OLZOCXBDSA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442798401 387844466 /nfs/dbraw/zinc/84/44/66/387844466.db2.gz WXCOEMIHOKPWOQ-KWCYVHTRSA-N 2 1 246.358 2.110 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423132019 387909860 /nfs/dbraw/zinc/90/98/60/387909860.db2.gz IROZAAFMCHMUQO-NWDGAFQWSA-N 2 1 210.365 2.176 20 30 BEEDMP C=C(C)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423158862 387938035 /nfs/dbraw/zinc/93/80/35/387938035.db2.gz XFMHGDCORDUZCS-JTQLQIEISA-N 2 1 205.305 2.111 20 30 BEEDMP C[C@H]([NH2+]CC(C)(C)CC#N)c1c[nH+]ccc1N ZINC000423170480 387956759 /nfs/dbraw/zinc/95/67/59/387956759.db2.gz MEACXMVABMZHFP-JTQLQIEISA-N 2 1 232.331 2.085 20 30 BEEDMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000453416437 388078289 /nfs/dbraw/zinc/07/82/89/388078289.db2.gz XNZQWYPOYOGJPR-CHWSQXEVSA-N 2 1 235.375 2.143 20 30 BEEDMP C#CC[N@H+](CCn1ccnc1C)C1CCCCC1 ZINC000490897589 388258867 /nfs/dbraw/zinc/25/88/67/388258867.db2.gz CYRCORWUKOJPBB-UHFFFAOYSA-N 2 1 245.370 2.459 20 30 BEEDMP C#CC[N@@H+](CCn1cc[nH+]c1C)C1CCCCC1 ZINC000490897589 388258869 /nfs/dbraw/zinc/25/88/69/388258869.db2.gz CYRCORWUKOJPBB-UHFFFAOYSA-N 2 1 245.370 2.459 20 30 BEEDMP C#CC[N@H+](CCn1cc[nH+]c1C)C1CCCCC1 ZINC000490897589 388258871 /nfs/dbraw/zinc/25/88/71/388258871.db2.gz CYRCORWUKOJPBB-UHFFFAOYSA-N 2 1 245.370 2.459 20 30 BEEDMP C=C(C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449480828 388215609 /nfs/dbraw/zinc/21/56/09/388215609.db2.gz ZXKLIRHCMGUIQN-UHFFFAOYSA-N 2 1 219.332 2.203 20 30 BEEDMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000227221076 388359451 /nfs/dbraw/zinc/35/94/51/388359451.db2.gz SSACLHZNIBNEEV-UHFFFAOYSA-N 2 1 245.370 2.332 20 30 BEEDMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000227221076 388359454 /nfs/dbraw/zinc/35/94/54/388359454.db2.gz SSACLHZNIBNEEV-UHFFFAOYSA-N 2 1 245.370 2.332 20 30 BEEDMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000227220944 388359487 /nfs/dbraw/zinc/35/94/87/388359487.db2.gz VAFCOPQPSMDQEA-UHFFFAOYSA-N 2 1 245.370 2.332 20 30 BEEDMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000227220944 388359491 /nfs/dbraw/zinc/35/94/91/388359491.db2.gz VAFCOPQPSMDQEA-UHFFFAOYSA-N 2 1 245.370 2.332 20 30 BEEDMP CC[C@@H](CC#N)[NH2+]CCCCn1cc[nH+]c1C ZINC000517038986 388535113 /nfs/dbraw/zinc/53/51/13/388535113.db2.gz TZGDRZBUWDJLME-ZDUSSCGKSA-N 2 1 234.347 2.254 20 30 BEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423269801 388689865 /nfs/dbraw/zinc/68/98/65/388689865.db2.gz HQAFCOGSSFCGTR-BXUZGUMPSA-N 2 1 231.343 2.192 20 30 BEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423279455 388689999 /nfs/dbraw/zinc/68/99/99/388689999.db2.gz RYALCSGGYZSOID-QMTHXVAHSA-N 2 1 249.333 2.331 20 30 BEEDMP C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280216 388690097 /nfs/dbraw/zinc/69/00/97/388690097.db2.gz SMHWFXZHIRKBGJ-LKFCYVNXSA-N 2 1 247.317 2.085 20 30 BEEDMP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440117 388693045 /nfs/dbraw/zinc/69/30/45/388693045.db2.gz AOPNTEDAHAKXHK-MJVIPROJSA-N 2 1 231.343 2.335 20 30 BEEDMP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(C#N)cc1 ZINC000423455845 388693289 /nfs/dbraw/zinc/69/32/89/388693289.db2.gz DAHVGSQIZJGWEA-UONOGXRCSA-N 2 1 231.343 2.336 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCOC)CC1 ZINC000153036099 388933325 /nfs/dbraw/zinc/93/33/25/388933325.db2.gz BFFFANZFWLPURZ-CYBMUJFWSA-N 2 1 240.391 2.042 20 30 BEEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000070074521 134909356 /nfs/dbraw/zinc/90/93/56/134909356.db2.gz GPWYBPFGACVQFX-IUODEOHRSA-N 2 1 243.354 2.117 20 30 BEEDMP CC#CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248389491 135001160 /nfs/dbraw/zinc/00/11/60/135001160.db2.gz GTGKCNJQRBGUCB-HOCLYGCPSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248389491 135001161 /nfs/dbraw/zinc/00/11/61/135001161.db2.gz GTGKCNJQRBGUCB-HOCLYGCPSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248389491 135001163 /nfs/dbraw/zinc/00/11/63/135001163.db2.gz GTGKCNJQRBGUCB-HOCLYGCPSA-N 2 1 246.398 2.349 20 30 BEEDMP C=CCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000338548228 135039011 /nfs/dbraw/zinc/03/90/11/135039011.db2.gz HHDLCUIFBYVYBV-UHFFFAOYSA-N 2 1 210.365 2.367 20 30 BEEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500247 135087621 /nfs/dbraw/zinc/08/76/21/135087621.db2.gz LTKCOCDKOQANNE-JTQLQIEISA-N 2 1 237.372 2.050 20 30 BEEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000341891240 135244670 /nfs/dbraw/zinc/24/46/70/135244670.db2.gz CEFJLMXUDSNEEJ-FZKCQIBNSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000341891240 135244673 /nfs/dbraw/zinc/24/46/73/135244673.db2.gz CEFJLMXUDSNEEJ-FZKCQIBNSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@@H]2C)[C@H]1C ZINC000341891240 135244674 /nfs/dbraw/zinc/24/46/74/135244674.db2.gz CEFJLMXUDSNEEJ-FZKCQIBNSA-N 2 1 248.414 2.450 20 30 BEEDMP C=CCOCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000348056319 136031907 /nfs/dbraw/zinc/03/19/07/136031907.db2.gz RBUKKWVQYVISOO-UHFFFAOYSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC000093067361 398093962 /nfs/dbraw/zinc/09/39/62/398093962.db2.gz RMZZPXQUEXTXLA-LBPRGKRZSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)CC)CC1 ZINC000093067360 398094280 /nfs/dbraw/zinc/09/42/80/398094280.db2.gz RMZZPXQUEXTXLA-GFCCVEGCSA-N 2 1 210.365 2.273 20 30 BEEDMP Cc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1C#N ZINC000443976477 398085433 /nfs/dbraw/zinc/08/54/33/398085433.db2.gz AJNJGAXPPYTQSG-CYBMUJFWSA-N 2 1 245.370 2.297 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000271195098 166130680 /nfs/dbraw/zinc/13/06/80/166130680.db2.gz DGFCPAHDUNXTLQ-ZIAGYGMSSA-N 2 1 231.343 2.179 20 30 BEEDMP C=CCC[NH+](C)CCC[N@H+](C)CCC=C ZINC000276390825 166257341 /nfs/dbraw/zinc/25/73/41/166257341.db2.gz JGKWIEDMJRYUOU-UHFFFAOYSA-N 2 1 210.365 2.392 20 30 BEEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754382 411184171 /nfs/dbraw/zinc/18/41/71/411184171.db2.gz PBUVNUCNZVIENX-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCSCC[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422941070 411234956 /nfs/dbraw/zinc/23/49/56/411234956.db2.gz HMXVPWLGKZUEBW-RYUDHWBXSA-N 2 1 228.405 2.026 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001172508960 974861640 /nfs/dbraw/zinc/86/16/40/974861640.db2.gz ICFZVWWMURMNLZ-HZSPNIEDSA-N 2 1 235.375 2.095 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602517261 411296454 /nfs/dbraw/zinc/29/64/54/411296454.db2.gz DOTGNNRXZGIXNA-UHFFFAOYSA-N 2 1 246.358 2.254 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000070593216 411336616 /nfs/dbraw/zinc/33/66/16/411336616.db2.gz YLTQSFSPJYPFCL-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C=C(C)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660663681 411375701 /nfs/dbraw/zinc/37/57/01/411375701.db2.gz OZOPVACMWJRLED-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663681 411375704 /nfs/dbraw/zinc/37/57/04/411375704.db2.gz OZOPVACMWJRLED-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660663681 411375706 /nfs/dbraw/zinc/37/57/06/411375706.db2.gz OZOPVACMWJRLED-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCC1([NH2+]CCc2c[nH+]cn2C)CCCC1 ZINC000661851164 411899579 /nfs/dbraw/zinc/89/95/79/411899579.db2.gz REVGJHOCWNOKID-UHFFFAOYSA-N 2 1 233.359 2.441 20 30 BEEDMP C[C@@H](CCCC#N)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172507549 974863408 /nfs/dbraw/zinc/86/34/08/974863408.db2.gz WNDJHLDDDFJHEW-ZDUSSCGKSA-N 2 1 237.391 2.342 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000308900314 487692936 /nfs/dbraw/zinc/69/29/36/487692936.db2.gz BEPZYWSQXWCFHW-IJLUTSLNSA-N 2 1 228.767 2.201 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000308900314 487692941 /nfs/dbraw/zinc/69/29/41/487692941.db2.gz BEPZYWSQXWCFHW-IJLUTSLNSA-N 2 1 228.767 2.201 20 30 BEEDMP C=CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250528358 487734662 /nfs/dbraw/zinc/73/46/62/487734662.db2.gz RBOJDUZOHOXMQU-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP CC[N@H+](CC[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000876996375 590267072 /nfs/dbraw/zinc/26/70/72/590267072.db2.gz RWKJQIUDMDXUNC-ZDUSSCGKSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[N@@H+](CC[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000876996375 590267074 /nfs/dbraw/zinc/26/70/74/590267074.db2.gz RWKJQIUDMDXUNC-ZDUSSCGKSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000076004190 325325688 /nfs/dbraw/zinc/32/56/88/325325688.db2.gz DPHVSKCGWCOTHX-CQSZACIVSA-N 2 1 237.391 2.344 20 30 BEEDMP CC(C)(CCC#N)C[NH2+]CCC[NH+]1CCC1 ZINC000565903615 325972748 /nfs/dbraw/zinc/97/27/48/325972748.db2.gz IZDSYSVLHBIEJT-UHFFFAOYSA-N 2 1 223.364 2.002 20 30 BEEDMP C=CCCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000568248723 326334576 /nfs/dbraw/zinc/33/45/76/326334576.db2.gz YRSLAEGGJHWARO-CHWSQXEVSA-N 2 1 210.365 2.320 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228136 488134910 /nfs/dbraw/zinc/13/49/10/488134910.db2.gz VQIPNCOICGWPSI-KBPBESRZSA-N 2 1 222.376 2.204 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000683228136 488134915 /nfs/dbraw/zinc/13/49/15/488134915.db2.gz VQIPNCOICGWPSI-KBPBESRZSA-N 2 1 222.376 2.204 20 30 BEEDMP C=C(CC)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358514328 534375261 /nfs/dbraw/zinc/37/52/61/534375261.db2.gz WAEBTLGDIVXFQD-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000358514328 534375264 /nfs/dbraw/zinc/37/52/64/534375264.db2.gz WAEBTLGDIVXFQD-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358514328 534375265 /nfs/dbraw/zinc/37/52/65/534375265.db2.gz WAEBTLGDIVXFQD-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000358514328 534375267 /nfs/dbraw/zinc/37/52/67/534375267.db2.gz WAEBTLGDIVXFQD-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000358504360 534395076 /nfs/dbraw/zinc/39/50/76/534395076.db2.gz GEJUCKIZSKSMDL-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000358515329 534398172 /nfs/dbraw/zinc/39/81/72/534398172.db2.gz YJPUFPOZAWTNRL-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000358515329 534398177 /nfs/dbraw/zinc/39/81/77/534398177.db2.gz YJPUFPOZAWTNRL-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000358515329 534398180 /nfs/dbraw/zinc/39/81/80/534398180.db2.gz YJPUFPOZAWTNRL-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000335281821 534775043 /nfs/dbraw/zinc/77/50/43/534775043.db2.gz ZDRYREZNVUHYMV-LBPRGKRZSA-N 2 1 208.349 2.027 20 30 BEEDMP CC(C)(CCC#N)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353683438 534997737 /nfs/dbraw/zinc/99/77/37/534997737.db2.gz FNJUVSNYQUYODS-QWHCGFSZSA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)(CCC#N)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353683438 534997745 /nfs/dbraw/zinc/99/77/45/534997745.db2.gz FNJUVSNYQUYODS-QWHCGFSZSA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)(CCC#N)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000078052324 535005389 /nfs/dbraw/zinc/00/53/89/535005389.db2.gz YYHPMTKWJVGLQT-CYBMUJFWSA-N 2 1 249.402 2.390 20 30 BEEDMP CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(C#N)cc1 ZINC000902404121 584589175 /nfs/dbraw/zinc/58/91/75/584589175.db2.gz CDQPNLDHMSMCEW-ZDUSSCGKSA-N 2 1 229.327 2.090 20 30 BEEDMP N#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903148915 584732353 /nfs/dbraw/zinc/73/23/53/584732353.db2.gz XVSRPYDTMKUVPA-QXMXGUDHSA-N 2 1 233.359 2.038 20 30 BEEDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903424748 584764934 /nfs/dbraw/zinc/76/49/34/584764934.db2.gz DRTYBGPMTULKIJ-VXGQWTEUSA-N 2 1 249.402 2.376 20 30 BEEDMP C=CC[C@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903464143 584767417 /nfs/dbraw/zinc/76/74/17/584767417.db2.gz BCZXKYJHWASMOZ-RWMBFGLXSA-N 2 1 208.349 2.012 20 30 BEEDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC1CCC(C#N)CC1 ZINC000903454804 584773409 /nfs/dbraw/zinc/77/34/09/584773409.db2.gz JZLASXAQZGNAPH-WXRRBKDZSA-N 2 1 237.391 2.279 20 30 BEEDMP C[NH2+]C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903717020 584792205 /nfs/dbraw/zinc/79/22/05/584792205.db2.gz WXTGPNGMFWEWFI-CQSZACIVSA-N 2 1 249.402 2.392 20 30 BEEDMP C=CC[N@@H+](C[C@@H]1CCCC[NH2+]C1)C1CC1 ZINC000903760175 584797250 /nfs/dbraw/zinc/79/72/50/584797250.db2.gz VSLYUGZMRAERKX-GFCCVEGCSA-N 2 1 208.349 2.027 20 30 BEEDMP C#CCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000766896612 585509900 /nfs/dbraw/zinc/50/99/00/585509900.db2.gz VDMQHVAJEYXVRA-UHFFFAOYSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000766903573 585510549 /nfs/dbraw/zinc/51/05/49/585510549.db2.gz SLHAAIHHDPUXBY-ZIAGYGMSSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000766903088 585510852 /nfs/dbraw/zinc/51/08/52/585510852.db2.gz PESDDQPQHYPPOU-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP C#CCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000766903088 585510853 /nfs/dbraw/zinc/51/08/53/585510853.db2.gz PESDDQPQHYPPOU-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP C#CCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000766903088 585510854 /nfs/dbraw/zinc/51/08/54/585510854.db2.gz PESDDQPQHYPPOU-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000815652837 586690785 /nfs/dbraw/zinc/69/07/85/586690785.db2.gz WJBOGWVQDJAYSJ-GJZGRUSLSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000815652837 586690787 /nfs/dbraw/zinc/69/07/87/586690787.db2.gz WJBOGWVQDJAYSJ-GJZGRUSLSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CCOc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000817960974 586851890 /nfs/dbraw/zinc/85/18/90/586851890.db2.gz VJRFIVWVHRBCBE-LBPRGKRZSA-N 2 1 246.354 2.087 20 30 BEEDMP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000817977239 586861158 /nfs/dbraw/zinc/86/11/58/586861158.db2.gz FIFILOHMBLJTHM-XQQFMLRXSA-N 2 1 246.354 2.085 20 30 BEEDMP N#Cc1cccc2c1C[N@H+](CCCCCC[NH3+])C2 ZINC000846228286 588261933 /nfs/dbraw/zinc/26/19/33/588261933.db2.gz LYLYBNCMPCACDL-UHFFFAOYSA-N 2 1 243.354 2.393 20 30 BEEDMP N#Cc1cccc2c1C[N@@H+](CCCCCC[NH3+])C2 ZINC000846228286 588261934 /nfs/dbraw/zinc/26/19/34/588261934.db2.gz LYLYBNCMPCACDL-UHFFFAOYSA-N 2 1 243.354 2.393 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000106245002 588263271 /nfs/dbraw/zinc/26/32/71/588263271.db2.gz HABITXXEOPGQLT-UHFFFAOYSA-N 2 1 208.349 2.027 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000862362717 589203908 /nfs/dbraw/zinc/20/39/08/589203908.db2.gz DKGZYIQHLHSJMZ-OLZOCXBDSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000862362717 589203909 /nfs/dbraw/zinc/20/39/09/589203909.db2.gz DKGZYIQHLHSJMZ-OLZOCXBDSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000872139241 589880330 /nfs/dbraw/zinc/88/03/30/589880330.db2.gz ANAQTMRIBXHAHI-VGWMRTNUSA-N 2 1 246.398 2.395 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000872140447 589881092 /nfs/dbraw/zinc/88/10/92/589881092.db2.gz NRIITCQQJZOZSE-KBUPBQIOSA-N 2 1 234.387 2.251 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000872140447 589881095 /nfs/dbraw/zinc/88/10/95/589881095.db2.gz NRIITCQQJZOZSE-KBUPBQIOSA-N 2 1 234.387 2.251 20 30 BEEDMP C#CCCCCCC[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000876744705 590235727 /nfs/dbraw/zinc/23/57/27/590235727.db2.gz WFWUSUSVXRABSA-LSDHHAIUSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CCCCCCC[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000876744705 590235729 /nfs/dbraw/zinc/23/57/29/590235729.db2.gz WFWUSUSVXRABSA-LSDHHAIUSA-N 2 1 234.387 2.254 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000878198176 590523266 /nfs/dbraw/zinc/52/32/66/590523266.db2.gz UKJVBMIHUOVUPY-MJBXVCDLSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000878198176 590523268 /nfs/dbraw/zinc/52/32/68/590523268.db2.gz UKJVBMIHUOVUPY-MJBXVCDLSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000878198176 590523271 /nfs/dbraw/zinc/52/32/71/590523271.db2.gz UKJVBMIHUOVUPY-MJBXVCDLSA-N 2 1 222.376 2.367 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578806 590818066 /nfs/dbraw/zinc/81/80/66/590818066.db2.gz HCNLOGGEAAYZDF-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879578806 590818069 /nfs/dbraw/zinc/81/80/69/590818069.db2.gz HCNLOGGEAAYZDF-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578806 590818071 /nfs/dbraw/zinc/81/80/71/590818071.db2.gz HCNLOGGEAAYZDF-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578806 590818075 /nfs/dbraw/zinc/81/80/75/590818075.db2.gz HCNLOGGEAAYZDF-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CC#CC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702514 590852908 /nfs/dbraw/zinc/85/29/08/590852908.db2.gz NWIMGMXBZCBVOU-UHFFFAOYSA-N 2 1 236.403 2.310 20 30 BEEDMP C#CCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259907 590980944 /nfs/dbraw/zinc/98/09/44/590980944.db2.gz LJVJRVXSZXNGCV-AWEZNQCLSA-N 2 1 243.354 2.006 20 30 BEEDMP CC(C)(C#N)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473256 591054060 /nfs/dbraw/zinc/05/40/60/591054060.db2.gz APXBEOOSXNSUPK-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP C=C(C)C[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887130242 592449435 /nfs/dbraw/zinc/44/94/35/592449435.db2.gz ABOFARWTAYBWKX-ZDUSSCGKSA-N 2 1 231.343 2.168 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]CC1(C)CCCC1 ZINC000328309651 633751588 /nfs/dbraw/zinc/75/15/88/633751588.db2.gz WRYNCWLTIVSBRI-UHFFFAOYSA-N 2 1 222.376 2.111 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]CC1(C)CCCC1 ZINC000328309651 633751596 /nfs/dbraw/zinc/75/15/96/633751596.db2.gz WRYNCWLTIVSBRI-UHFFFAOYSA-N 2 1 222.376 2.111 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC)C1CCC1 ZINC000322404242 636863615 /nfs/dbraw/zinc/86/36/15/636863615.db2.gz TWDPAPSSTWEPOR-HNNXBMFYSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC)C1CCC1 ZINC000322404242 636863618 /nfs/dbraw/zinc/86/36/18/636863618.db2.gz TWDPAPSSTWEPOR-HNNXBMFYSA-N 2 1 236.403 2.500 20 30 BEEDMP C=C(CC)C[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310062 640148330 /nfs/dbraw/zinc/14/83/30/640148330.db2.gz BMIUGCNNFLGSCS-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(CC)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310062 640148336 /nfs/dbraw/zinc/14/83/36/640148336.db2.gz BMIUGCNNFLGSCS-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(CC)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310062 640148343 /nfs/dbraw/zinc/14/83/43/640148343.db2.gz BMIUGCNNFLGSCS-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CC[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316008 640154560 /nfs/dbraw/zinc/15/45/60/640154560.db2.gz FTJLKABIEYLUOY-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316008 640154561 /nfs/dbraw/zinc/15/45/61/640154561.db2.gz FTJLKABIEYLUOY-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931316008 640154562 /nfs/dbraw/zinc/15/45/62/640154562.db2.gz FTJLKABIEYLUOY-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931316008 640154564 /nfs/dbraw/zinc/15/45/64/640154564.db2.gz FTJLKABIEYLUOY-MCIONIFRSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931435390 640202272 /nfs/dbraw/zinc/20/22/72/640202272.db2.gz ACSGKLSABBRAAR-KGLIPLIRSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435390 640202275 /nfs/dbraw/zinc/20/22/75/640202275.db2.gz ACSGKLSABBRAAR-KGLIPLIRSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931435390 640202279 /nfs/dbraw/zinc/20/22/79/640202279.db2.gz ACSGKLSABBRAAR-KGLIPLIRSA-N 2 1 222.376 2.226 20 30 BEEDMP C#CC[NH+](C/C=C/C[N@@H+](CC#C)C(C)C)C(C)C ZINC000932382629 640509095 /nfs/dbraw/zinc/50/90/95/640509095.db2.gz ARHXEYNDUXQGJB-MDZDMXLPSA-N 2 1 246.398 2.230 20 30 BEEDMP C#CC[N@@H+](CCCc1c[nH+]cn1C)C(C)(C)C ZINC000932461499 640531986 /nfs/dbraw/zinc/53/19/86/640531986.db2.gz DKQPUYDFZBSJTG-UHFFFAOYSA-N 2 1 233.359 2.086 20 30 BEEDMP C#CC[N@H+](CCCc1c[nH+]cn1C)C(C)(C)C ZINC000932461499 640531989 /nfs/dbraw/zinc/53/19/89/640531989.db2.gz DKQPUYDFZBSJTG-UHFFFAOYSA-N 2 1 233.359 2.086 20 30 BEEDMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000932463720 640539090 /nfs/dbraw/zinc/53/90/90/640539090.db2.gz MHKNMSXCQYAEAZ-ZDUSSCGKSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C ZINC000932463720 640539096 /nfs/dbraw/zinc/53/90/96/640539096.db2.gz MHKNMSXCQYAEAZ-ZDUSSCGKSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C ZINC000932463720 640539101 /nfs/dbraw/zinc/53/91/01/640539101.db2.gz MHKNMSXCQYAEAZ-ZDUSSCGKSA-N 2 1 222.376 2.204 20 30 BEEDMP C=CC[C@@H]1CC[NH+]1CC#CC[N@@H+]1CC[C@@H]1CC=C ZINC000934458639 641153593 /nfs/dbraw/zinc/15/35/93/641153593.db2.gz BNEQHDKSVUAGEQ-IYBDPMFKSA-N 2 1 244.382 2.291 20 30 BEEDMP C=CC[C@@H]1CC[N@H+]1CC#CC[NH+]1CC[C@@H]1CC=C ZINC000934458639 641153598 /nfs/dbraw/zinc/15/35/98/641153598.db2.gz BNEQHDKSVUAGEQ-IYBDPMFKSA-N 2 1 244.382 2.291 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+]1CC#CC[NH+]1CC[C@@H]1CC=C ZINC000934458639 641153603 /nfs/dbraw/zinc/15/36/03/641153603.db2.gz BNEQHDKSVUAGEQ-IYBDPMFKSA-N 2 1 244.382 2.291 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090397622 643409911 /nfs/dbraw/zinc/40/99/11/643409911.db2.gz KDKIMYSNSSLFPC-ZIAGYGMSSA-N 2 1 220.360 2.006 20 30 BEEDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921544407 643595679 /nfs/dbraw/zinc/59/56/79/643595679.db2.gz BCNURFBWLXRSCL-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921544407 643595684 /nfs/dbraw/zinc/59/56/84/643595684.db2.gz BCNURFBWLXRSCL-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1C[NH3+] ZINC000923493321 644467102 /nfs/dbraw/zinc/46/71/02/644467102.db2.gz SASMZIXIOGXNGC-URGYJCLVSA-N 2 1 249.402 2.233 20 30 BEEDMP C=CC[C@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530029 644487183 /nfs/dbraw/zinc/48/71/83/644487183.db2.gz FNJBSUYRTRKCEF-STQMWFEESA-N 2 1 208.349 2.169 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530029 644487188 /nfs/dbraw/zinc/48/71/88/644487188.db2.gz FNJBSUYRTRKCEF-STQMWFEESA-N 2 1 208.349 2.169 20 30 BEEDMP C#CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246381900 644584450 /nfs/dbraw/zinc/58/44/50/644584450.db2.gz KDKIMYSNSSLFPC-KBPBESRZSA-N 2 1 220.360 2.006 20 30 BEEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925652857 646389059 /nfs/dbraw/zinc/38/90/59/646389059.db2.gz BGIURTOPCFKAEN-GFJIZPEISA-N 2 1 235.375 2.046 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000926491013 646660989 /nfs/dbraw/zinc/66/09/89/646660989.db2.gz UDVGARLINLFMRI-AWEZNQCLSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000926491013 646660992 /nfs/dbraw/zinc/66/09/92/646660992.db2.gz UDVGARLINLFMRI-AWEZNQCLSA-N 2 1 236.403 2.356 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000702293658 712043278 /nfs/dbraw/zinc/04/32/78/712043278.db2.gz KBCRWDUHGYGFJI-IHRRRGAJSA-N 2 1 234.387 2.251 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000702278924 712044766 /nfs/dbraw/zinc/04/47/66/712044766.db2.gz ZSSXKVIGTSOWEZ-AVGNSLFASA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000702278924 712044768 /nfs/dbraw/zinc/04/47/68/712044768.db2.gz ZSSXKVIGTSOWEZ-AVGNSLFASA-N 2 1 222.376 2.107 20 30 BEEDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709991030 712237905 /nfs/dbraw/zinc/23/79/05/712237905.db2.gz PVGFKCSSNZHDNM-NSHDSACASA-N 2 1 234.347 2.110 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000715058356 712505378 /nfs/dbraw/zinc/50/53/78/712505378.db2.gz OTSHIXCBGUXIHU-MJBXVCDLSA-N 2 1 222.376 2.415 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000392779806 711152118 /nfs/dbraw/zinc/15/21/18/711152118.db2.gz YQOJBJXDEGTKHN-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000392779806 711152123 /nfs/dbraw/zinc/15/21/23/711152123.db2.gz YQOJBJXDEGTKHN-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000393957134 711180200 /nfs/dbraw/zinc/18/02/00/711180200.db2.gz KXIBSCKFFXVBDY-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000393957134 711180203 /nfs/dbraw/zinc/18/02/03/711180203.db2.gz KXIBSCKFFXVBDY-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C=C1CCC(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000724444669 711580905 /nfs/dbraw/zinc/58/09/05/711580905.db2.gz HWBNRXUBQDJDFC-TZMCWYRMSA-N 2 1 222.376 2.463 20 30 BEEDMP C=CC[N@@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000703795517 712087934 /nfs/dbraw/zinc/08/79/34/712087934.db2.gz DRNWWIUWANEIQM-YHWZYXNKSA-N 2 1 220.360 2.167 20 30 BEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000705862674 712137830 /nfs/dbraw/zinc/13/78/30/712137830.db2.gz QRWZYAUMYSCNBY-GHMZBOCLSA-N 2 1 232.318 2.257 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000705862674 712137832 /nfs/dbraw/zinc/13/78/32/712137832.db2.gz QRWZYAUMYSCNBY-GHMZBOCLSA-N 2 1 232.318 2.257 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000383015422 712367007 /nfs/dbraw/zinc/36/70/07/712367007.db2.gz CCULCHZDTSTCSF-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000383015422 712367009 /nfs/dbraw/zinc/36/70/09/712367009.db2.gz CCULCHZDTSTCSF-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000383015432 712367154 /nfs/dbraw/zinc/36/71/54/712367154.db2.gz CCULCHZDTSTCSF-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000383015432 712367156 /nfs/dbraw/zinc/36/71/56/712367156.db2.gz CCULCHZDTSTCSF-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000717456767 712659245 /nfs/dbraw/zinc/65/92/45/712659245.db2.gz KADDBGHBXLWBRW-LSDHHAIUSA-N 2 1 234.387 2.349 20 30 BEEDMP C#CCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000717456767 712659246 /nfs/dbraw/zinc/65/92/46/712659246.db2.gz KADDBGHBXLWBRW-LSDHHAIUSA-N 2 1 234.387 2.349 20 30 BEEDMP C#CCCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000717456767 712659247 /nfs/dbraw/zinc/65/92/47/712659247.db2.gz KADDBGHBXLWBRW-LSDHHAIUSA-N 2 1 234.387 2.349 20 30 BEEDMP C#CCCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000717456767 712659248 /nfs/dbraw/zinc/65/92/48/712659248.db2.gz KADDBGHBXLWBRW-LSDHHAIUSA-N 2 1 234.387 2.349 20 30 BEEDMP C=CCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709808709 961629097 /nfs/dbraw/zinc/62/90/97/961629097.db2.gz NZPYSWOCTNHMQE-UHFFFAOYSA-N 2 1 222.376 2.418 20 30 BEEDMP C=CCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763419 967813384 /nfs/dbraw/zinc/81/33/84/967813384.db2.gz PUTLDOKIVHDCKM-LLVKDONJSA-N 2 1 232.318 2.259 20 30 BEEDMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001207286909 968719460 /nfs/dbraw/zinc/71/94/60/968719460.db2.gz WIJSAYDPWKLPIZ-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](CC#N)C1 ZINC001207286909 968719465 /nfs/dbraw/zinc/71/94/65/968719465.db2.gz WIJSAYDPWKLPIZ-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100295 969393025 /nfs/dbraw/zinc/39/30/25/969393025.db2.gz IJUIDNXEMQDRHC-CRWXNKLISA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100295 969393031 /nfs/dbraw/zinc/39/30/31/969393031.db2.gz IJUIDNXEMQDRHC-CRWXNKLISA-N 2 1 220.360 2.003 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(CC#N)CC2)CC1 ZINC001254522451 969709923 /nfs/dbraw/zinc/70/99/23/969709923.db2.gz GEVBRGZUAZGLEJ-AWEZNQCLSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235259566 1167785372 /nfs/dbraw/zinc/78/53/72/1167785372.db2.gz MJCIFIZCWOJVJL-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235977289 979231057 /nfs/dbraw/zinc/23/10/57/979231057.db2.gz FZSQFFANZZORDU-STQMWFEESA-N 2 1 208.349 2.156 20 30 BEEDMP C[C@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172478383 974777446 /nfs/dbraw/zinc/77/74/46/974777446.db2.gz DVSZZWLDHUXDJD-YIYPIFLZSA-N 2 1 235.375 2.284 20 30 BEEDMP N#CCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256903894 971024082 /nfs/dbraw/zinc/02/40/82/971024082.db2.gz FUFYSOJTFGCDRW-CYBMUJFWSA-N 2 1 235.375 2.287 20 30 BEEDMP N#CCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256903894 971024096 /nfs/dbraw/zinc/02/40/96/971024096.db2.gz FUFYSOJTFGCDRW-CYBMUJFWSA-N 2 1 235.375 2.287 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256953997 971032249 /nfs/dbraw/zinc/03/22/49/971032249.db2.gz UYRYTZHVQUGQGK-ROKHWSDSSA-N 2 1 235.375 2.143 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404313296 971154375 /nfs/dbraw/zinc/15/43/75/971154375.db2.gz XYGIKKZBVWSWFM-MWLCHTKSSA-N 2 1 216.756 2.188 20 30 BEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404313296 971154383 /nfs/dbraw/zinc/15/43/83/971154383.db2.gz XYGIKKZBVWSWFM-MWLCHTKSSA-N 2 1 216.756 2.188 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC000711320597 962681947 /nfs/dbraw/zinc/68/19/47/962681947.db2.gz IEMSKWJWKRTBGP-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001168323672 964449247 /nfs/dbraw/zinc/44/92/47/964449247.db2.gz ACDOZHNACIITAN-HSBZDZAISA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000697877739 964604080 /nfs/dbraw/zinc/60/40/80/964604080.db2.gz OHWOJRYFYNSCQD-LLVKDONJSA-N 2 1 249.333 2.127 20 30 BEEDMP C[C@H](CC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC000697911211 964676367 /nfs/dbraw/zinc/67/63/67/964676367.db2.gz YGTFBBNUNWCCLU-SNVBAGLBSA-N 2 1 237.372 2.050 20 30 BEEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C#N)s2)CC1 ZINC001205280855 967472912 /nfs/dbraw/zinc/47/29/12/967472912.db2.gz KIYHGNIWIAGXRJ-CYBMUJFWSA-N 2 1 249.383 2.323 20 30 BEEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001205280855 967472922 /nfs/dbraw/zinc/47/29/22/967472922.db2.gz KIYHGNIWIAGXRJ-CYBMUJFWSA-N 2 1 249.383 2.323 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001207836214 968896650 /nfs/dbraw/zinc/89/66/50/968896650.db2.gz HQPFVMIUVUMYOA-REWJHTLYSA-N 2 1 222.376 2.271 20 30 BEEDMP C#CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CC1 ZINC001253563051 969234150 /nfs/dbraw/zinc/23/41/50/969234150.db2.gz KGFRBODMDIZZIN-OAHLLOKOSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CC1 ZINC001253563051 969234160 /nfs/dbraw/zinc/23/41/60/969234160.db2.gz KGFRBODMDIZZIN-OAHLLOKOSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC1CC1 ZINC001253563051 969234172 /nfs/dbraw/zinc/23/41/72/969234172.db2.gz KGFRBODMDIZZIN-OAHLLOKOSA-N 2 1 234.387 2.206 20 30 BEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001169110167 969445758 /nfs/dbraw/zinc/44/57/58/969445758.db2.gz LDVFGZWCMODDLH-BTTYYORXSA-N 2 1 234.387 2.251 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001169110167 969445761 /nfs/dbraw/zinc/44/57/61/969445761.db2.gz LDVFGZWCMODDLH-BTTYYORXSA-N 2 1 234.387 2.251 20 30 BEEDMP C=CC[NH+](CC=C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142158 969451332 /nfs/dbraw/zinc/45/13/32/969451332.db2.gz ACEMYUJVOSQGES-BTTYYORXSA-N 2 1 220.360 2.286 20 30 BEEDMP C=CC[NH+](CC=C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169142158 969451345 /nfs/dbraw/zinc/45/13/45/969451345.db2.gz ACEMYUJVOSQGES-BTTYYORXSA-N 2 1 220.360 2.286 20 30 BEEDMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001169263765 969521877 /nfs/dbraw/zinc/52/18/77/969521877.db2.gz AXYAADLYAFLBNC-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[NH+]1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001169263765 969521881 /nfs/dbraw/zinc/52/18/81/969521881.db2.gz AXYAADLYAFLBNC-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[NH+]1CCC([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001169258713 969542686 /nfs/dbraw/zinc/54/26/86/969542686.db2.gz PBZSRJOUSFDFLL-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[NH+]1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001169258713 969542692 /nfs/dbraw/zinc/54/26/92/969542692.db2.gz PBZSRJOUSFDFLL-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP C#CCCC1(CC[NH2+][C@@H]2CCC[N@H+](C)CC2)N=N1 ZINC001254515252 969692065 /nfs/dbraw/zinc/69/20/65/969692065.db2.gz UOWAPQCWUVGFJS-CYBMUJFWSA-N 2 1 248.374 2.026 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001254525872 969716246 /nfs/dbraw/zinc/71/62/46/969716246.db2.gz NRFJEIBUZPJCAS-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CCCCCC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210476122 969899151 /nfs/dbraw/zinc/89/91/51/969899151.db2.gz SAQIMTVNBKPDTE-CYBMUJFWSA-N 2 1 210.365 2.417 20 30 BEEDMP C#CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255383345 970128204 /nfs/dbraw/zinc/12/82/04/970128204.db2.gz HVPDGNXGOFQLHM-INIZCTEOSA-N 2 1 242.366 2.264 20 30 BEEDMP SC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256079578 970647063 /nfs/dbraw/zinc/64/70/63/970647063.db2.gz MMACVHDNOOMQHG-UHFFFAOYSA-N 2 1 240.416 2.007 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548888 972691181 /nfs/dbraw/zinc/69/11/81/972691181.db2.gz KQLQFNWMADYNBH-STQMWFEESA-N 2 1 228.355 2.494 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246553414 972751992 /nfs/dbraw/zinc/75/19/92/972751992.db2.gz RSMALACJWSNUBE-QWHCGFSZSA-N 2 1 223.364 2.272 20 30 BEEDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC001327841755 972756040 /nfs/dbraw/zinc/75/60/40/972756040.db2.gz ZEISUNWEEFVDQB-GHMZBOCLSA-N 2 1 249.333 2.346 20 30 BEEDMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771362 973085386 /nfs/dbraw/zinc/08/53/86/973085386.db2.gz YNYBPTTXKGCVSC-IUODEOHRSA-N 2 1 243.354 2.131 20 30 BEEDMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771362 973085396 /nfs/dbraw/zinc/08/53/96/973085396.db2.gz YNYBPTTXKGCVSC-IUODEOHRSA-N 2 1 243.354 2.131 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4[NH2+]C[C@H]4C3)C[C@H](C1)C2 ZINC001246926895 973528074 /nfs/dbraw/zinc/52/80/74/973528074.db2.gz UXKSANVBOQKZGD-YSZZHOLASA-N 2 1 232.371 2.025 20 30 BEEDMP C=CCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154435 974333054 /nfs/dbraw/zinc/33/30/54/974333054.db2.gz IZVZEBHUXMFVTL-QWHCGFSZSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206154435 974333060 /nfs/dbraw/zinc/33/30/60/974333060.db2.gz IZVZEBHUXMFVTL-QWHCGFSZSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107551 974364186 /nfs/dbraw/zinc/36/41/86/974364186.db2.gz ZOWWVOHIGWJTBK-CLLJXQQHSA-N 2 1 208.349 2.167 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172478381 974776565 /nfs/dbraw/zinc/77/65/65/974776565.db2.gz DVSZZWLDHUXDJD-FQUUOJAGSA-N 2 1 235.375 2.284 20 30 BEEDMP CC(C)[N@@H+](CCC[NH3+])[C@@H](C)CCCC#N ZINC001172479274 974777891 /nfs/dbraw/zinc/77/78/91/974777891.db2.gz HVHRLZDZUDMJDY-LBPRGKRZSA-N 2 1 211.353 2.128 20 30 BEEDMP C[C@H](CCCC#N)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC001172479293 974779330 /nfs/dbraw/zinc/77/93/30/974779330.db2.gz KSFSRAOSGQOITF-KGLIPLIRSA-N 2 1 237.391 2.390 20 30 BEEDMP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc(C)c(C)c2)C1 ZINC001173356008 975311360 /nfs/dbraw/zinc/31/13/60/975311360.db2.gz AWGJNLWIRTZCRT-AWEZNQCLSA-N 2 1 245.370 2.103 20 30 BEEDMP CC[N@H+]1CC[C@H](NC(=[NH2+])c2ccc(C)c(C)c2)C1 ZINC001173356008 975311365 /nfs/dbraw/zinc/31/13/65/975311365.db2.gz AWGJNLWIRTZCRT-AWEZNQCLSA-N 2 1 245.370 2.103 20 30 BEEDMP C=CCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127591 978982864 /nfs/dbraw/zinc/98/28/64/978982864.db2.gz ZQZBVBWZXDLOKG-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235127591 978982867 /nfs/dbraw/zinc/98/28/67/978982867.db2.gz ZQZBVBWZXDLOKG-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP C[N@@H+]1CCC[C@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277942769 979036448 /nfs/dbraw/zinc/03/64/48/979036448.db2.gz CNRGCMKATSSYEY-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277942769 979036451 /nfs/dbraw/zinc/03/64/51/979036451.db2.gz CNRGCMKATSSYEY-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@]2(CCC[N@H+](CCCC#N)C2)C1 ZINC001277942769 979036459 /nfs/dbraw/zinc/03/64/59/979036459.db2.gz CNRGCMKATSSYEY-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCCC#N)C2)C1 ZINC001277942769 979036465 /nfs/dbraw/zinc/03/64/65/979036465.db2.gz CNRGCMKATSSYEY-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C=CCCCCCC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236018598 979309963 /nfs/dbraw/zinc/30/99/63/979309963.db2.gz VUCHSHWBCYGYHR-STQMWFEESA-N 2 1 208.349 2.156 20 30 BEEDMP C=CCCCCCC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236018598 979309977 /nfs/dbraw/zinc/30/99/77/979309977.db2.gz VUCHSHWBCYGYHR-STQMWFEESA-N 2 1 208.349 2.156 20 30 BEEDMP SC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238117992 980168127 /nfs/dbraw/zinc/16/81/27/980168127.db2.gz GMRMDMSXRXBHHD-UHFFFAOYSA-N 2 1 247.367 2.229 20 30 BEEDMP C#CCCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001275975922 984760060 /nfs/dbraw/zinc/76/00/60/984760060.db2.gz RTJLMCZWTSZIPS-OAHLLOKOSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CCCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275975922 984760096 /nfs/dbraw/zinc/76/00/96/984760096.db2.gz RTJLMCZWTSZIPS-OAHLLOKOSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001275975922 984760124 /nfs/dbraw/zinc/76/01/24/984760124.db2.gz RTJLMCZWTSZIPS-OAHLLOKOSA-N 2 1 234.387 2.208 20 30 BEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001578485304 985114183 /nfs/dbraw/zinc/11/41/83/985114183.db2.gz BIZJQOUYSSTPFT-CMPLNLGQSA-N 2 1 249.383 2.179 20 30 BEEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001258718903 986047810 /nfs/dbraw/zinc/04/78/10/986047810.db2.gz XEFZMQABEIYLGU-CHWSQXEVSA-N 2 1 210.365 2.415 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@H](C#N)CC2)CC1 ZINC001254524861 986665142 /nfs/dbraw/zinc/66/51/42/986665142.db2.gz DESCNAQCMJOKGI-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C2 ZINC001254645214 986697604 /nfs/dbraw/zinc/69/76/04/986697604.db2.gz AZGWIORCMRRJCW-YYFQZIEXSA-N 2 1 247.386 2.284 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C2 ZINC001254645214 986697609 /nfs/dbraw/zinc/69/76/09/986697609.db2.gz AZGWIORCMRRJCW-YYFQZIEXSA-N 2 1 247.386 2.284 20 30 BEEDMP C[NH+]1CCC2(CCC[N@@H+](CC3(C#N)CC3)C2)CC1 ZINC001116905107 987753735 /nfs/dbraw/zinc/75/37/35/987753735.db2.gz OWJYTBGKAHINMI-UHFFFAOYSA-N 2 1 247.386 2.098 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589635 988152971 /nfs/dbraw/zinc/15/29/71/988152971.db2.gz SYAFKILCHHESGQ-QJPTWQEYSA-N 2 1 214.328 2.102 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001246589635 988152982 /nfs/dbraw/zinc/15/29/82/988152982.db2.gz SYAFKILCHHESGQ-QJPTWQEYSA-N 2 1 214.328 2.102 20 30 BEEDMP N#CC1CCC([N@@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246642746 988344738 /nfs/dbraw/zinc/34/47/38/988344738.db2.gz JKQUOROXSHFWPR-YMAMQOFZSA-N 2 1 247.386 2.287 20 30 BEEDMP N#CC1CCC([N@H+]2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246642746 988344749 /nfs/dbraw/zinc/34/47/49/988344749.db2.gz JKQUOROXSHFWPR-YMAMQOFZSA-N 2 1 247.386 2.287 20 30 BEEDMP N#CC1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014509 988839863 /nfs/dbraw/zinc/83/98/63/988839863.db2.gz KOEDXWNMEMKBOD-HXSCFSKGSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014509 988839866 /nfs/dbraw/zinc/83/98/66/988839866.db2.gz KOEDXWNMEMKBOD-HXSCFSKGSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013657 988841261 /nfs/dbraw/zinc/84/12/61/988841261.db2.gz HODZIJRYYUSXFW-MJBXVCDLSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013657 988841264 /nfs/dbraw/zinc/84/12/64/988841264.db2.gz HODZIJRYYUSXFW-MJBXVCDLSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001258733458 991681812 /nfs/dbraw/zinc/68/18/12/991681812.db2.gz GJNLCQDZNKHRRS-MJBXVCDLSA-N 2 1 222.376 2.367 20 30 BEEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001321181722 992476723 /nfs/dbraw/zinc/47/67/23/992476723.db2.gz NSEYDRAVLBFWPE-RFQIPJPRSA-N 2 1 235.375 2.141 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001262031417 992618924 /nfs/dbraw/zinc/61/89/24/992618924.db2.gz QUPKBNUBYYJNGK-ZDUSSCGKSA-N 2 1 222.376 2.417 20 30 BEEDMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001575940923 993133246 /nfs/dbraw/zinc/13/32/46/993133246.db2.gz DVQQQLGVELGRNF-QWRGUYRKSA-N 2 1 249.383 2.240 20 30 BEEDMP C=CCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC000381478025 993397303 /nfs/dbraw/zinc/39/73/03/993397303.db2.gz AZTIQDQOYJWTLY-UHFFFAOYSA-N 2 1 208.349 2.028 20 30 BEEDMP CCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000382325251 993451386 /nfs/dbraw/zinc/45/13/86/993451386.db2.gz UXUZQZJLBATSIB-QWHCGFSZSA-N 2 1 210.365 2.251 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC000382325251 993451391 /nfs/dbraw/zinc/45/13/91/993451391.db2.gz UXUZQZJLBATSIB-QWHCGFSZSA-N 2 1 210.365 2.251 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001307518153 995392217 /nfs/dbraw/zinc/39/22/17/995392217.db2.gz NYRCZTGUDUQYCI-GOEBONIOSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001307518153 995392230 /nfs/dbraw/zinc/39/22/30/995392230.db2.gz NYRCZTGUDUQYCI-GOEBONIOSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001307518153 995392236 /nfs/dbraw/zinc/39/22/36/995392236.db2.gz NYRCZTGUDUQYCI-GOEBONIOSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001307518153 995392246 /nfs/dbraw/zinc/39/22/46/995392246.db2.gz NYRCZTGUDUQYCI-GOEBONIOSA-N 2 1 248.414 2.452 20 30 BEEDMP CC(C)[N@@H+](C)CCCNC(=[NH2+])Nc1ccccc1 ZINC000066245424 136210870 /nfs/dbraw/zinc/21/08/70/136210870.db2.gz MEVQGNJIVODEMR-UHFFFAOYSA-N 2 1 248.374 2.144 20 30 BEEDMP Cc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1C#N ZINC000336540452 178019168 /nfs/dbraw/zinc/01/91/68/178019168.db2.gz COETVSUOHSMLJP-UHFFFAOYSA-N 2 1 243.354 2.051 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414174058 398218774 /nfs/dbraw/zinc/21/87/74/398218774.db2.gz XSNDRJIXIYIRGG-JHJVBQTASA-N 2 1 237.391 2.245 20 30 BEEDMP C=CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175718163 365579580 /nfs/dbraw/zinc/57/95/80/365579580.db2.gz ZVJZFLBISCGBRN-CHWSQXEVSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175718163 365579583 /nfs/dbraw/zinc/57/95/83/365579583.db2.gz ZVJZFLBISCGBRN-CHWSQXEVSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000175718163 365579585 /nfs/dbraw/zinc/57/95/85/365579585.db2.gz ZVJZFLBISCGBRN-CHWSQXEVSA-N 2 1 210.365 2.225 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)[C@@H](C)C1 ZINC000430750449 398230074 /nfs/dbraw/zinc/23/00/74/398230074.db2.gz NTVXKCIGRKTWHV-QWHCGFSZSA-N 2 1 235.375 2.000 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000602487091 349569139 /nfs/dbraw/zinc/56/91/39/349569139.db2.gz SWHWFOFGMOYGLA-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000602487091 349569143 /nfs/dbraw/zinc/56/91/43/349569143.db2.gz SWHWFOFGMOYGLA-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000602487091 349569146 /nfs/dbraw/zinc/56/91/46/349569146.db2.gz SWHWFOFGMOYGLA-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602524878 349576728 /nfs/dbraw/zinc/57/67/28/349576728.db2.gz GTGQZNYKLWCOMY-KGLIPLIRSA-N 2 1 237.391 2.248 20 30 BEEDMP C=CCCCCC[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000381869560 398281270 /nfs/dbraw/zinc/28/12/70/398281270.db2.gz YGDSXYKRCRDTIM-ZDUSSCGKSA-N 2 1 210.365 2.274 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+]C1CCC(C#N)CC1 ZINC000602566298 349618495 /nfs/dbraw/zinc/61/84/95/349618495.db2.gz XEIGOGUSHLOYSS-UHFFFAOYSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+]C1CCC(C#N)CC1 ZINC000602566298 349618499 /nfs/dbraw/zinc/61/84/99/349618499.db2.gz XEIGOGUSHLOYSS-UHFFFAOYSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+]C[C@@H](C)CCC#N ZINC000602564291 349617106 /nfs/dbraw/zinc/61/71/06/349617106.db2.gz KQVQSDCQUFSFGP-ZDUSSCGKSA-N 2 1 225.380 2.248 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+]C[C@@H](C)CCC#N ZINC000602564291 349617108 /nfs/dbraw/zinc/61/71/08/349617108.db2.gz KQVQSDCQUFSFGP-ZDUSSCGKSA-N 2 1 225.380 2.248 20 30 BEEDMP C=CCC[C@@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000530513101 342801406 /nfs/dbraw/zinc/80/14/06/342801406.db2.gz BYYAXTWFTATCTI-CQSZACIVSA-N 2 1 233.359 2.297 20 30 BEEDMP C[C@@H](CCC#N)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602652948 349660339 /nfs/dbraw/zinc/66/03/39/349660339.db2.gz FSNRTBHOAKIYSB-RDGKXADDSA-N 2 1 249.402 2.483 20 30 BEEDMP C[C@@H](CCC#N)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602652948 349660341 /nfs/dbraw/zinc/66/03/41/349660341.db2.gz FSNRTBHOAKIYSB-RDGKXADDSA-N 2 1 249.402 2.483 20 30 BEEDMP C[C@@H](CCC#N)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602652948 349660343 /nfs/dbraw/zinc/66/03/43/349660343.db2.gz FSNRTBHOAKIYSB-RDGKXADDSA-N 2 1 249.402 2.483 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000602638262 349652329 /nfs/dbraw/zinc/65/23/29/349652329.db2.gz OTFVQVHRENEXRN-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602672425 349666614 /nfs/dbraw/zinc/66/66/14/349666614.db2.gz YNPKFHCIRZZZOI-OLZOCXBDSA-N 2 1 225.380 2.245 20 30 BEEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602672425 349666615 /nfs/dbraw/zinc/66/66/15/349666615.db2.gz YNPKFHCIRZZZOI-OLZOCXBDSA-N 2 1 225.380 2.245 20 30 BEEDMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1C ZINC000602681531 349673188 /nfs/dbraw/zinc/67/31/88/349673188.db2.gz VZWYRHFLYXYNDL-XUXIUFHCSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1C ZINC000602681531 349673191 /nfs/dbraw/zinc/67/31/91/349673191.db2.gz VZWYRHFLYXYNDL-XUXIUFHCSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000602669163 349685541 /nfs/dbraw/zinc/68/55/41/349685541.db2.gz YYVLVXYBYGYJBV-RBSFLKMASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000602669163 349685545 /nfs/dbraw/zinc/68/55/45/349685545.db2.gz YYVLVXYBYGYJBV-RBSFLKMASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000602669163 349685547 /nfs/dbraw/zinc/68/55/47/349685547.db2.gz YYVLVXYBYGYJBV-RBSFLKMASA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000019942869 342963948 /nfs/dbraw/zinc/96/39/48/342963948.db2.gz KUBSOSYGMYFJGX-UHFFFAOYSA-N 2 1 245.370 2.380 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000602722536 349713742 /nfs/dbraw/zinc/71/37/42/349713742.db2.gz GDIGGSPNCZJBTL-UONOGXRCSA-N 2 1 237.391 2.248 20 30 BEEDMP C[NH+](C)[C@H]1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602824186 349764376 /nfs/dbraw/zinc/76/43/76/349764376.db2.gz XVVRNVUNGLWXIT-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000602824186 349764380 /nfs/dbraw/zinc/76/43/80/349764380.db2.gz XVVRNVUNGLWXIT-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP C=C(C)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000119844667 136292305 /nfs/dbraw/zinc/29/23/05/136292305.db2.gz KFICIHYGNLUATC-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=C(C)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000119844667 136292306 /nfs/dbraw/zinc/29/23/06/136292306.db2.gz KFICIHYGNLUATC-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000625703400 344048353 /nfs/dbraw/zinc/04/83/53/344048353.db2.gz KSDVUZOQNVFHQF-CQSZACIVSA-N 2 1 233.359 2.480 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000625703400 344048354 /nfs/dbraw/zinc/04/83/54/344048354.db2.gz KSDVUZOQNVFHQF-CQSZACIVSA-N 2 1 233.359 2.480 20 30 BEEDMP C#CC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000052209359 187358678 /nfs/dbraw/zinc/35/86/78/187358678.db2.gz ISKIEJKGCXNJFF-UHFFFAOYSA-N 2 1 222.376 2.064 20 30 BEEDMP C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000119661922 344858236 /nfs/dbraw/zinc/85/82/36/344858236.db2.gz VPRLAGIPAHZQEP-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+](CCC(C)(C)C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000119661922 344858237 /nfs/dbraw/zinc/85/82/37/344858237.db2.gz VPRLAGIPAHZQEP-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+](CCC(C)(C)C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000119661922 344858238 /nfs/dbraw/zinc/85/82/38/344858238.db2.gz VPRLAGIPAHZQEP-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148700 345421758 /nfs/dbraw/zinc/42/17/58/345421758.db2.gz SUJNDUOTGLHTPP-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CCCCC#N ZINC000136299029 345500821 /nfs/dbraw/zinc/50/08/21/345500821.db2.gz RFWSNQJJUSUXKX-UHFFFAOYSA-N 2 1 234.347 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCCC#N ZINC000136299029 345500824 /nfs/dbraw/zinc/50/08/24/345500824.db2.gz RFWSNQJJUSUXKX-UHFFFAOYSA-N 2 1 234.347 2.207 20 30 BEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000167557471 346277103 /nfs/dbraw/zinc/27/71/03/346277103.db2.gz SRHKPXNOOQDHFG-KGLIPLIRSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000167557471 346277106 /nfs/dbraw/zinc/27/71/06/346277106.db2.gz SRHKPXNOOQDHFG-KGLIPLIRSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@@H]21 ZINC000167557471 346277109 /nfs/dbraw/zinc/27/71/09/346277109.db2.gz SRHKPXNOOQDHFG-KGLIPLIRSA-N 2 1 247.386 2.096 20 30 BEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000589195487 346672824 /nfs/dbraw/zinc/67/28/24/346672824.db2.gz ZRQXOJKOOMJJIE-RBSFLKMASA-N 2 1 249.402 2.389 20 30 BEEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000589344018 346690394 /nfs/dbraw/zinc/69/03/94/346690394.db2.gz MREPTWJNWPDLHM-BFHYXJOUSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000589344018 346690398 /nfs/dbraw/zinc/69/03/98/346690398.db2.gz MREPTWJNWPDLHM-BFHYXJOUSA-N 2 1 237.391 2.387 20 30 BEEDMP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000591573465 347676850 /nfs/dbraw/zinc/67/68/50/347676850.db2.gz ZCJVZVHEHJXRGN-QWHCGFSZSA-N 2 1 249.745 2.181 20 30 BEEDMP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000591573464 347676921 /nfs/dbraw/zinc/67/69/21/347676921.db2.gz ZCJVZVHEHJXRGN-OLZOCXBDSA-N 2 1 249.745 2.181 20 30 BEEDMP CC(C)([NH3+])C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577508 347677572 /nfs/dbraw/zinc/67/75/72/347677572.db2.gz TURWLSHHEQSYKV-AWEZNQCLSA-N 2 1 243.354 2.263 20 30 BEEDMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccc(C#N)cc1 ZINC000595891023 348390063 /nfs/dbraw/zinc/39/00/63/348390063.db2.gz IZKSGZUTYLRZIQ-HNNXBMFYSA-N 2 1 245.370 2.064 20 30 BEEDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1ccc(C#N)cc1 ZINC000595893074 348390994 /nfs/dbraw/zinc/39/09/94/348390994.db2.gz OPZOSYOVNMDTHB-CQSZACIVSA-N 2 1 245.370 2.064 20 30 BEEDMP C[C@H](C[C@H](C)[NH3+])[NH2+]CC1(C#N)CCCCC1 ZINC000596650385 348606136 /nfs/dbraw/zinc/60/61/36/348606136.db2.gz HTLJYMFDYOPYSR-NWDGAFQWSA-N 2 1 223.364 2.176 20 30 BEEDMP CC#CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336703834 350454927 /nfs/dbraw/zinc/45/49/27/350454927.db2.gz QHCWGFPXTZSBTI-ZIAGYGMSSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336703834 350454931 /nfs/dbraw/zinc/45/49/31/350454931.db2.gz QHCWGFPXTZSBTI-ZIAGYGMSSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336703834 350454933 /nfs/dbraw/zinc/45/49/33/350454933.db2.gz QHCWGFPXTZSBTI-ZIAGYGMSSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000336703822 350454983 /nfs/dbraw/zinc/45/49/83/350454983.db2.gz QHCWGFPXTZSBTI-KGLIPLIRSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336703822 350454987 /nfs/dbraw/zinc/45/49/87/350454987.db2.gz QHCWGFPXTZSBTI-KGLIPLIRSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336703822 350454992 /nfs/dbraw/zinc/45/49/92/350454992.db2.gz QHCWGFPXTZSBTI-KGLIPLIRSA-N 2 1 222.376 2.204 20 30 BEEDMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCC#N)C1 ZINC000336734840 350490244 /nfs/dbraw/zinc/49/02/44/350490244.db2.gz WINIADJGQKHJQV-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000336734840 350490246 /nfs/dbraw/zinc/49/02/46/350490246.db2.gz WINIADJGQKHJQV-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP CC#CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336719038 350473420 /nfs/dbraw/zinc/47/34/20/350473420.db2.gz RQBGDSCDMSPBGP-OAHLLOKOSA-N 2 1 234.387 2.064 20 30 BEEDMP C=CCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339430739 350757691 /nfs/dbraw/zinc/75/76/91/350757691.db2.gz LGFMOEGMFMROBV-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430739 350757694 /nfs/dbraw/zinc/75/76/94/350757694.db2.gz LGFMOEGMFMROBV-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339430739 350757697 /nfs/dbraw/zinc/75/76/97/350757697.db2.gz LGFMOEGMFMROBV-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000411298215 191175311 /nfs/dbraw/zinc/17/53/11/191175311.db2.gz JCMBMLAFCIHECA-ZFWWWQNUSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000411298215 191175313 /nfs/dbraw/zinc/17/53/13/191175313.db2.gz JCMBMLAFCIHECA-ZFWWWQNUSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000411298215 191175315 /nfs/dbraw/zinc/17/53/15/191175315.db2.gz JCMBMLAFCIHECA-ZFWWWQNUSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000411298215 191175317 /nfs/dbraw/zinc/17/53/17/191175317.db2.gz JCMBMLAFCIHECA-ZFWWWQNUSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000411315653 191177536 /nfs/dbraw/zinc/17/75/36/191177536.db2.gz UTEHAJGNZWKEJF-GJZGRUSLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000411315653 191177539 /nfs/dbraw/zinc/17/75/39/191177539.db2.gz UTEHAJGNZWKEJF-GJZGRUSLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000334252834 352889778 /nfs/dbraw/zinc/88/97/78/352889778.db2.gz BYQAAZPYJCPYJD-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000334252834 352889782 /nfs/dbraw/zinc/88/97/82/352889782.db2.gz BYQAAZPYJCPYJD-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP C=C(CC)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000336748365 352970778 /nfs/dbraw/zinc/97/07/78/352970778.db2.gz DJEVHHSKXGCNTE-UHFFFAOYSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271859911 188263249 /nfs/dbraw/zinc/26/32/49/188263249.db2.gz KCVOAJSVBTYPIY-CHWSQXEVSA-N 2 1 222.376 2.439 20 30 BEEDMP C=CCCC[N@H+](C)CCCn1ccnc1 ZINC000181093119 353419982 /nfs/dbraw/zinc/41/99/82/353419982.db2.gz STJBQFXMNDSNAB-UHFFFAOYSA-N 2 1 207.321 2.171 20 30 BEEDMP CC#CC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191509276 353486117 /nfs/dbraw/zinc/48/61/17/353486117.db2.gz CFTLQMCTEAZPHH-UHFFFAOYSA-N 2 1 233.359 2.181 20 30 BEEDMP CC#CC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191509276 353486119 /nfs/dbraw/zinc/48/61/19/353486119.db2.gz CFTLQMCTEAZPHH-UHFFFAOYSA-N 2 1 233.359 2.181 20 30 BEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070169502 181103764 /nfs/dbraw/zinc/10/37/64/181103764.db2.gz KCNQKKUSLKSVEN-CQSZACIVSA-N 2 1 243.354 2.119 20 30 BEEDMP C[C@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000583506658 355341212 /nfs/dbraw/zinc/34/12/12/355341212.db2.gz UGZKQHHAGCLCGO-YHUYYLMFSA-N 2 1 248.414 2.165 20 30 BEEDMP C[C@H](CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351424420 355989213 /nfs/dbraw/zinc/98/92/13/355989213.db2.gz VZWGPEWITSQKHW-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351424420 355989220 /nfs/dbraw/zinc/98/92/20/355989220.db2.gz VZWGPEWITSQKHW-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C=C(CC)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757205 356663866 /nfs/dbraw/zinc/66/38/66/356663866.db2.gz ITLPDALXAKGCRE-UHFFFAOYSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000167734483 134153614 /nfs/dbraw/zinc/15/36/14/134153614.db2.gz WUZLMTYQLNYEPZ-SDDRHHMPSA-N 2 1 228.767 2.249 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000387442373 357962179 /nfs/dbraw/zinc/96/21/79/357962179.db2.gz PSAKXLGUERTYJB-FRRDWIJNSA-N 2 1 210.365 2.271 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000126757303 358554581 /nfs/dbraw/zinc/55/45/81/358554581.db2.gz UPIJNBRBWPVKLB-QWHCGFSZSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(C)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834571 359225360 /nfs/dbraw/zinc/22/53/60/359225360.db2.gz VTMUDIBFKGKUHD-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP N#CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834457 359225622 /nfs/dbraw/zinc/22/56/22/359225622.db2.gz BWIHQWFIPKNBNR-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP N#CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075834457 359225627 /nfs/dbraw/zinc/22/56/27/359225627.db2.gz BWIHQWFIPKNBNR-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C=CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561551 361455806 /nfs/dbraw/zinc/45/58/06/361455806.db2.gz JGMIELGFCPNRAT-ZJUUUORDSA-N 2 1 236.281 2.022 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000629650404 361547446 /nfs/dbraw/zinc/54/74/46/361547446.db2.gz UPQGYTYFSUZQPT-LBPRGKRZSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CC[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000629650404 361547452 /nfs/dbraw/zinc/54/74/52/361547452.db2.gz UPQGYTYFSUZQPT-LBPRGKRZSA-N 2 1 210.365 2.273 20 30 BEEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000574324163 365037069 /nfs/dbraw/zinc/03/70/69/365037069.db2.gz HDFWANIVLHUQSO-RDBSUJKOSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000574324163 365037075 /nfs/dbraw/zinc/03/70/75/365037075.db2.gz HDFWANIVLHUQSO-RDBSUJKOSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000384849788 367742314 /nfs/dbraw/zinc/74/23/14/367742314.db2.gz LAPFDFNWINPSNT-OLZOCXBDSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000384861570 367746640 /nfs/dbraw/zinc/74/66/40/367746640.db2.gz OLKKIHDDXSWKES-UHFFFAOYSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309757077 326166536 /nfs/dbraw/zinc/16/65/36/326166536.db2.gz LTKXYTLXGUDWGP-VXGBXAGGSA-N 2 1 221.348 2.153 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000459798791 203372447 /nfs/dbraw/zinc/37/24/47/203372447.db2.gz XXSNZBAVGHFUOL-RDBSUJKOSA-N 2 1 235.375 2.000 20 30 BEEDMP Cc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1C#N ZINC000600712540 369560870 /nfs/dbraw/zinc/56/08/70/369560870.db2.gz XZYLPJFFHDQKGI-AWEZNQCLSA-N 2 1 245.370 2.330 20 30 BEEDMP CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251826871 369973631 /nfs/dbraw/zinc/97/36/31/369973631.db2.gz PQEHUDYAUASPFW-HUUCEWRRSA-N 2 1 243.354 2.117 20 30 BEEDMP CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251826871 369973633 /nfs/dbraw/zinc/97/36/33/369973633.db2.gz PQEHUDYAUASPFW-HUUCEWRRSA-N 2 1 243.354 2.117 20 30 BEEDMP C=C(CC)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429525843 206061155 /nfs/dbraw/zinc/06/11/55/206061155.db2.gz FLIPDDGMARAKFO-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000070074540 384232008 /nfs/dbraw/zinc/23/20/08/384232008.db2.gz UWIAXGLPDNVAJN-SWLSCSKDSA-N 2 1 243.354 2.117 20 30 BEEDMP C=C(C)C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174209381 384306230 /nfs/dbraw/zinc/30/62/30/384306230.db2.gz FTUSBHUNGXQLEX-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174209381 384306236 /nfs/dbraw/zinc/30/62/36/384306236.db2.gz FTUSBHUNGXQLEX-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C#C[C@@H](C)[NH+](C)CC[C@H](C)CC[N@@H+](C)[C@@H](C)C#C ZINC000491806357 384783758 /nfs/dbraw/zinc/78/37/58/384783758.db2.gz QWIXQNFBVUSULC-MUJYYYPQSA-N 2 1 248.414 2.310 20 30 BEEDMP C#C[C@@H](C)[N@@H+](C)CC[C@H](C)CC[NH+](C)[C@@H](C)C#C ZINC000491806357 384783763 /nfs/dbraw/zinc/78/37/63/384783763.db2.gz QWIXQNFBVUSULC-MUJYYYPQSA-N 2 1 248.414 2.310 20 30 BEEDMP C#C[C@@H](C)[N@H+](C)CC[C@H](C)CC[NH+](C)[C@@H](C)C#C ZINC000491806357 384783764 /nfs/dbraw/zinc/78/37/64/384783764.db2.gz QWIXQNFBVUSULC-MUJYYYPQSA-N 2 1 248.414 2.310 20 30 BEEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)s1 ZINC000135498354 384979657 /nfs/dbraw/zinc/97/96/57/384979657.db2.gz GTTDYUCWZSEGFV-JTQLQIEISA-N 2 1 237.372 2.050 20 30 BEEDMP C=CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000308786669 385102690 /nfs/dbraw/zinc/10/26/90/385102690.db2.gz GLWDKHHTUHFFER-FRRDWIJNSA-N 2 1 210.365 2.271 20 30 BEEDMP C=CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718782 385736412 /nfs/dbraw/zinc/73/64/12/385736412.db2.gz SLMOIIBFSAPCCS-CHWSQXEVSA-N 2 1 222.376 2.415 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000602508527 385801266 /nfs/dbraw/zinc/80/12/66/385801266.db2.gz UMXYDNAUOPNGOA-LBPRGKRZSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CCOc1ccc(C[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000414975839 386019415 /nfs/dbraw/zinc/01/94/15/386019415.db2.gz HFMOKSLUYVQOII-CYBMUJFWSA-N 2 1 234.343 2.078 20 30 BEEDMP C=CCOc1ccc(C[N@H+](C)C2CC([NH3+])C2)cc1 ZINC000414769759 386452145 /nfs/dbraw/zinc/45/21/45/386452145.db2.gz KSCJVJFLNWNKFV-UHFFFAOYSA-N 2 1 246.354 2.173 20 30 BEEDMP C=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415069401 386551986 /nfs/dbraw/zinc/55/19/86/386551986.db2.gz SLSSGTDNMLNUKO-YPMHNXCESA-N 2 1 210.365 2.448 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414812214 386641091 /nfs/dbraw/zinc/64/10/91/386641091.db2.gz XESKXFDVOVDAJP-OAHLLOKOSA-N 2 1 246.354 2.078 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)C1 ZINC000459730062 387275479 /nfs/dbraw/zinc/27/54/79/387275479.db2.gz LGTLJSQJFPNEMY-STQMWFEESA-N 2 1 237.391 2.246 20 30 BEEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423503977 387343839 /nfs/dbraw/zinc/34/38/39/387343839.db2.gz NGFJVHHNRQIVRN-MRVWCRGKSA-N 2 1 235.375 2.176 20 30 BEEDMP C=CCC[C@@H](CCC)[NH2+]CC[NH2+]C1CC1 ZINC000643506324 387457666 /nfs/dbraw/zinc/45/76/66/387457666.db2.gz RZTFEVBNAJHAML-GFCCVEGCSA-N 2 1 210.365 2.463 20 30 BEEDMP C#CC[NH+](CC)CCCCC[N@H+](CC)CC#C ZINC000267338004 387410776 /nfs/dbraw/zinc/41/07/76/387410776.db2.gz RSUIACONZMDSCQ-UHFFFAOYSA-N 2 1 234.387 2.067 20 30 BEEDMP C=CCOCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452099493 387736221 /nfs/dbraw/zinc/73/62/21/387736221.db2.gz WRSFEARRLWAGOV-UHFFFAOYSA-N 2 1 240.391 2.043 20 30 BEEDMP C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999866 387805019 /nfs/dbraw/zinc/80/50/19/387805019.db2.gz TWGLVWKSSWQFGE-WFASDCNBSA-N 2 1 243.354 2.229 20 30 BEEDMP N#CCCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423027034 387843994 /nfs/dbraw/zinc/84/39/94/387843994.db2.gz CRZKSWRWQYHBAM-OLZOCXBDSA-N 2 1 215.300 2.025 20 30 BEEDMP C=CCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423083400 387878399 /nfs/dbraw/zinc/87/83/99/387878399.db2.gz FZFYLYHMLXWHJA-SNVBAGLBSA-N 2 1 205.305 2.111 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423097768 387886930 /nfs/dbraw/zinc/88/69/30/387886930.db2.gz BJHINNLQKLYNPJ-CABCVRRESA-N 2 1 246.354 2.221 20 30 BEEDMP C=C(CC)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423163408 387946390 /nfs/dbraw/zinc/94/63/90/387946390.db2.gz RBOOKRCBWPZRGZ-JTQLQIEISA-N 2 1 205.305 2.111 20 30 BEEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000423188633 387973574 /nfs/dbraw/zinc/97/35/74/387973574.db2.gz LVOUIUSPYFWCRE-STQMWFEESA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420398667 388000155 /nfs/dbraw/zinc/00/01/55/388000155.db2.gz NOJDHRBUIXSHGS-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453344650 388050813 /nfs/dbraw/zinc/05/08/13/388050813.db2.gz DXRXJTLNMGWCKF-MGPQQGTHSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@H](CCC)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423268431 388047395 /nfs/dbraw/zinc/04/73/95/388047395.db2.gz DRCMCBNSPTVFOP-QWHCGFSZSA-N 2 1 210.365 2.448 20 30 BEEDMP C[NH+](C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449092430 388141209 /nfs/dbraw/zinc/14/12/09/388141209.db2.gz SMCLNZLCSADFKA-SHARSMKWSA-N 2 1 249.402 2.389 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000491210718 388277744 /nfs/dbraw/zinc/27/77/44/388277744.db2.gz XXPLSRFLSCLXAY-GJZGRUSLSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000491210718 388277745 /nfs/dbraw/zinc/27/77/45/388277745.db2.gz XXPLSRFLSCLXAY-GJZGRUSLSA-N 2 1 234.387 2.110 20 30 BEEDMP C=CCCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397310584 388457750 /nfs/dbraw/zinc/45/77/50/388457750.db2.gz OREKIBAZYSQWMR-AVGNSLFASA-N 2 1 210.365 2.258 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000328301630 388594296 /nfs/dbraw/zinc/59/42/96/388594296.db2.gz URFJBFKPXSGRLJ-KBPBESRZSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000328301630 388594298 /nfs/dbraw/zinc/59/42/98/388594298.db2.gz URFJBFKPXSGRLJ-KBPBESRZSA-N 2 1 222.376 2.110 20 30 BEEDMP CC[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](CC)C2)C1 ZINC000551386745 388627693 /nfs/dbraw/zinc/62/76/93/388627693.db2.gz BBWIECXFTLCYBJ-HOTGVXAUSA-N 2 1 248.414 2.454 20 30 BEEDMP CC[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(C#N)cc1 ZINC000423275617 388689145 /nfs/dbraw/zinc/68/91/45/388689145.db2.gz LZHOOPPJRCKJOC-LSDHHAIUSA-N 2 1 243.354 2.336 20 30 BEEDMP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275617 388689148 /nfs/dbraw/zinc/68/91/48/388689148.db2.gz LZHOOPPJRCKJOC-LSDHHAIUSA-N 2 1 243.354 2.336 20 30 BEEDMP CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C#N)cc1 ZINC000423275614 388689892 /nfs/dbraw/zinc/68/98/92/388689892.db2.gz LZHOOPPJRCKJOC-CABCVRRESA-N 2 1 243.354 2.336 20 30 BEEDMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275614 388689895 /nfs/dbraw/zinc/68/98/95/388689895.db2.gz LZHOOPPJRCKJOC-CABCVRRESA-N 2 1 243.354 2.336 20 30 BEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000423279456 388690411 /nfs/dbraw/zinc/69/04/11/388690411.db2.gz RYALCSGGYZSOID-YGRLFVJLSA-N 2 1 249.333 2.331 20 30 BEEDMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(C#N)c1 ZINC000423336624 388690906 /nfs/dbraw/zinc/69/09/06/388690906.db2.gz UUBPKMHRALUAAJ-LLVKDONJSA-N 2 1 229.327 2.090 20 30 BEEDMP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423335808 388691869 /nfs/dbraw/zinc/69/18/69/388691869.db2.gz UGKJMFVMQDHMQO-AWEZNQCLSA-N 2 1 243.354 2.480 20 30 BEEDMP CCC[N@@H+](CC)CCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000248996912 388703131 /nfs/dbraw/zinc/70/31/31/388703131.db2.gz PEEOTMZFTIAIFQ-ZIAGYGMSSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248996912 388703134 /nfs/dbraw/zinc/70/31/34/388703134.db2.gz PEEOTMZFTIAIFQ-ZIAGYGMSSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248996912 388703135 /nfs/dbraw/zinc/70/31/35/388703135.db2.gz PEEOTMZFTIAIFQ-ZIAGYGMSSA-N 2 1 237.391 2.390 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000556149572 388868966 /nfs/dbraw/zinc/86/89/66/388868966.db2.gz FUUWKPNDUFTMBJ-NFOMZHRRSA-N 2 1 249.402 2.390 20 30 BEEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000377701959 533234108 /nfs/dbraw/zinc/23/41/08/533234108.db2.gz OFWXJKULGSNZMH-CYBMUJFWSA-N 2 1 234.387 2.395 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@H]2CCC[C@H]21 ZINC000367597942 134215630 /nfs/dbraw/zinc/21/56/30/134215630.db2.gz CQPKBFBFQQVPBH-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000373023722 134233102 /nfs/dbraw/zinc/23/31/02/134233102.db2.gz LXLBXTZUKIEZNJ-QPSCCSFWSA-N 2 1 247.386 2.285 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000373023699 134233422 /nfs/dbraw/zinc/23/34/22/134233422.db2.gz LXLBXTZUKIEZNJ-CBBWQLFWSA-N 2 1 247.386 2.285 20 30 BEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC#N)CC[C@H]21 ZINC000227336015 134378050 /nfs/dbraw/zinc/37/80/50/134378050.db2.gz DGGIQBCYCCGWAH-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC#N)CC[C@H]21 ZINC000227336015 134378051 /nfs/dbraw/zinc/37/80/51/134378051.db2.gz DGGIQBCYCCGWAH-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC#N)CC[C@H]21 ZINC000227336015 134378052 /nfs/dbraw/zinc/37/80/52/134378052.db2.gz DGGIQBCYCCGWAH-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CC[N@@H+](CCC[NH+](CC)CC)C1CC1 ZINC000338282634 135031556 /nfs/dbraw/zinc/03/15/56/135031556.db2.gz HHXMWPFOHXFXTD-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[N@H+](CCC[NH+](CC)CC)C1CC1 ZINC000338282634 135031557 /nfs/dbraw/zinc/03/15/57/135031557.db2.gz HHXMWPFOHXFXTD-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000334383098 135380303 /nfs/dbraw/zinc/38/03/03/135380303.db2.gz KSZGUIGKJZPUFJ-XSCHDIRWSA-N 2 1 249.402 2.246 20 30 BEEDMP C[C@@H](CCCC#N)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001172503719 974855509 /nfs/dbraw/zinc/85/55/09/974855509.db2.gz GQSUOCDQLFREBE-ZDUSSCGKSA-N 2 1 235.375 2.239 20 30 BEEDMP C#CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000271433159 166204636 /nfs/dbraw/zinc/20/46/36/166204636.db2.gz DKMMRTGKHGWZGO-MRXNPFEDSA-N 2 1 242.366 2.435 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000602516652 411296544 /nfs/dbraw/zinc/29/65/44/411296544.db2.gz PBCLMHSSAOJZGQ-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660218 411613899 /nfs/dbraw/zinc/61/38/99/411613899.db2.gz WXBQJKZDVLOXFX-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660218 411613901 /nfs/dbraw/zinc/61/39/01/411613901.db2.gz WXBQJKZDVLOXFX-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660218 411613902 /nfs/dbraw/zinc/61/39/02/411613902.db2.gz WXBQJKZDVLOXFX-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660218 411613904 /nfs/dbraw/zinc/61/39/04/411613904.db2.gz WXBQJKZDVLOXFX-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660219 411614455 /nfs/dbraw/zinc/61/44/55/411614455.db2.gz WXBQJKZDVLOXFX-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660660219 411614456 /nfs/dbraw/zinc/61/44/56/411614456.db2.gz WXBQJKZDVLOXFX-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660219 411614457 /nfs/dbraw/zinc/61/44/57/411614457.db2.gz WXBQJKZDVLOXFX-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660660219 411614458 /nfs/dbraw/zinc/61/44/58/411614458.db2.gz WXBQJKZDVLOXFX-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CC[N@@H+](CCC[NH3+])CCc1ccccc1 ZINC000414689631 487666670 /nfs/dbraw/zinc/66/66/70/487666670.db2.gz LGNUUDYSUHWTQC-UHFFFAOYSA-N 2 1 218.344 2.066 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250536246 487733902 /nfs/dbraw/zinc/73/39/02/487733902.db2.gz YLTQSFSPJYPFCL-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000250528351 487734185 /nfs/dbraw/zinc/73/41/85/487734185.db2.gz RBOJDUZOHOXMQU-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247340679 323012708 /nfs/dbraw/zinc/01/27/08/323012708.db2.gz ZVJZFLBISCGBRN-STQMWFEESA-N 2 1 210.365 2.225 20 30 BEEDMP C=CCCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000309642187 488010807 /nfs/dbraw/zinc/01/08/07/488010807.db2.gz PCFUCHLLPFGLQH-UHFFFAOYSA-N 2 1 208.349 2.169 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000677479514 488106336 /nfs/dbraw/zinc/10/63/36/488106336.db2.gz NWFCIMBXFXZTOU-GJZGRUSLSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000677479514 488106339 /nfs/dbraw/zinc/10/63/39/488106339.db2.gz NWFCIMBXFXZTOU-GJZGRUSLSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677479514 488106343 /nfs/dbraw/zinc/10/63/43/488106343.db2.gz NWFCIMBXFXZTOU-GJZGRUSLSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677479514 488106349 /nfs/dbraw/zinc/10/63/49/488106349.db2.gz NWFCIMBXFXZTOU-GJZGRUSLSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000677479516 488106796 /nfs/dbraw/zinc/10/67/96/488106796.db2.gz NWFCIMBXFXZTOU-LSDHHAIUSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000677479516 488106801 /nfs/dbraw/zinc/10/68/01/488106801.db2.gz NWFCIMBXFXZTOU-LSDHHAIUSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677479516 488106807 /nfs/dbraw/zinc/10/68/07/488106807.db2.gz NWFCIMBXFXZTOU-LSDHHAIUSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677479516 488106812 /nfs/dbraw/zinc/10/68/12/488106812.db2.gz NWFCIMBXFXZTOU-LSDHHAIUSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@H+](C)CCC[NH+]1CCCC1 ZINC000685004127 487491005 /nfs/dbraw/zinc/49/10/05/487491005.db2.gz FYXCOLKQTNICGJ-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000685004127 487491011 /nfs/dbraw/zinc/49/10/11/487491011.db2.gz FYXCOLKQTNICGJ-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678219388 488219141 /nfs/dbraw/zinc/21/91/41/488219141.db2.gz BWLUZQBGLGELTH-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678219388 488219145 /nfs/dbraw/zinc/21/91/45/488219145.db2.gz BWLUZQBGLGELTH-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335516784 490394992 /nfs/dbraw/zinc/39/49/92/490394992.db2.gz UQGRXOGMJHCCBU-NELGMTEASA-N 2 1 235.375 2.046 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595620692 491079496 /nfs/dbraw/zinc/07/94/96/491079496.db2.gz OWEUXIMZUGAILF-CQSZACIVSA-N 2 1 246.358 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620692 491079498 /nfs/dbraw/zinc/07/94/98/491079498.db2.gz OWEUXIMZUGAILF-CQSZACIVSA-N 2 1 246.358 2.207 20 30 BEEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404103256 533892149 /nfs/dbraw/zinc/89/21/49/533892149.db2.gz GLYTZKSIKKJIBU-LLVKDONJSA-N 2 1 249.333 2.127 20 30 BEEDMP C=C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000335937774 534465143 /nfs/dbraw/zinc/46/51/43/534465143.db2.gz OOVPEBJFCRPLHC-CYBMUJFWSA-N 2 1 208.349 2.123 20 30 BEEDMP C=C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000335937774 534465147 /nfs/dbraw/zinc/46/51/47/534465147.db2.gz OOVPEBJFCRPLHC-CYBMUJFWSA-N 2 1 208.349 2.123 20 30 BEEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309028872 534694082 /nfs/dbraw/zinc/69/40/82/534694082.db2.gz AAPZGGRKUCUXJE-OLZOCXBDSA-N 2 1 210.365 2.415 20 30 BEEDMP C=C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261555735 534695152 /nfs/dbraw/zinc/69/51/52/534695152.db2.gz VERWZJMQPGKDAM-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000338548457 534770315 /nfs/dbraw/zinc/77/03/15/534770315.db2.gz YTTFIWLIDQXMHX-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000338548457 534770318 /nfs/dbraw/zinc/77/03/18/534770318.db2.gz YTTFIWLIDQXMHX-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000338548457 534770324 /nfs/dbraw/zinc/77/03/24/534770324.db2.gz YTTFIWLIDQXMHX-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000335281820 534773751 /nfs/dbraw/zinc/77/37/51/534773751.db2.gz ZDRYREZNVUHYMV-GFCCVEGCSA-N 2 1 208.349 2.027 20 30 BEEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248746045 534957395 /nfs/dbraw/zinc/95/73/95/534957395.db2.gz FLWGUWCPVISEBM-RBSFLKMASA-N 2 1 249.402 2.390 20 30 BEEDMP CC(C)C[NH+](C)CC#CC[N@H+](C)CC(C)C ZINC000341832506 535023137 /nfs/dbraw/zinc/02/31/37/535023137.db2.gz BFUBPPAUTCZQBW-UHFFFAOYSA-N 2 1 224.392 2.165 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000100011948 582753277 /nfs/dbraw/zinc/75/32/77/582753277.db2.gz QRAJPEAURIVTGU-ZDUSSCGKSA-N 2 1 212.381 2.498 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CSCCC ZINC000894640207 583498680 /nfs/dbraw/zinc/49/86/80/583498680.db2.gz YKYBLSVSXKANRE-CYBMUJFWSA-N 2 1 242.432 2.063 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CSCCC ZINC000894640207 583498683 /nfs/dbraw/zinc/49/86/83/583498683.db2.gz YKYBLSVSXKANRE-CYBMUJFWSA-N 2 1 242.432 2.063 20 30 BEEDMP C#Cc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)cc1 ZINC000895291740 583636793 /nfs/dbraw/zinc/63/67/93/583636793.db2.gz CINORUDQGPHUOL-CYBMUJFWSA-N 2 1 230.355 2.098 20 30 BEEDMP C=CC[C@H]1CC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895560801 583691095 /nfs/dbraw/zinc/69/10/95/583691095.db2.gz SXSZBCYKPPLGBK-ZDUSSCGKSA-N 2 1 222.376 2.226 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCC[NH2+]2)C1 ZINC000902482140 584623719 /nfs/dbraw/zinc/62/37/19/584623719.db2.gz JPOYHLAELHXKSF-HZSPNIEDSA-N 2 1 235.375 2.191 20 30 BEEDMP C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903199869 584734959 /nfs/dbraw/zinc/73/49/59/584734959.db2.gz NTMXZVANSKMMMQ-QXMXGUDHSA-N 2 1 220.360 2.310 20 30 BEEDMP N#CC1CCC(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000903464611 584772062 /nfs/dbraw/zinc/77/20/62/584772062.db2.gz UEFWQJTVZVOLBH-CVSAEHQPSA-N 2 1 247.386 2.130 20 30 BEEDMP C[N@H+](Cc1cc(Cl)cc(C#N)c1)C1CC([NH3+])C1 ZINC000903453669 584772797 /nfs/dbraw/zinc/77/27/97/584772797.db2.gz HHSAVNNEDKMNQH-UHFFFAOYSA-N 2 1 249.745 2.133 20 30 BEEDMP C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC([NH3+])C1 ZINC000903453669 584772799 /nfs/dbraw/zinc/77/27/99/584772799.db2.gz HHSAVNNEDKMNQH-UHFFFAOYSA-N 2 1 249.745 2.133 20 30 BEEDMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455159 584774203 /nfs/dbraw/zinc/77/42/03/584774203.db2.gz RWVWQVOEBBHTTM-RSFISVRASA-N 2 1 249.402 2.292 20 30 BEEDMP C=CCCC[N@H+](CC)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903850467 584808121 /nfs/dbraw/zinc/80/81/21/584808121.db2.gz RNORVFGYNWJMDZ-OLZOCXBDSA-N 2 1 210.365 2.402 20 30 BEEDMP C#CCCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000766903680 584944556 /nfs/dbraw/zinc/94/45/56/584944556.db2.gz VIGQNAQOFZCAOR-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CCCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000766903680 584944557 /nfs/dbraw/zinc/94/45/57/584944557.db2.gz VIGQNAQOFZCAOR-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000766903680 584944558 /nfs/dbraw/zinc/94/45/58/584944558.db2.gz VIGQNAQOFZCAOR-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@]1(C)CC ZINC000846170148 588259004 /nfs/dbraw/zinc/25/90/04/588259004.db2.gz LXTMKHXXXOFSDF-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@]1(C)CC ZINC000846170148 588259005 /nfs/dbraw/zinc/25/90/05/588259005.db2.gz LXTMKHXXXOFSDF-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000846170150 588259114 /nfs/dbraw/zinc/25/91/14/588259114.db2.gz LXTMKHXXXOFSDF-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000846170150 588259115 /nfs/dbraw/zinc/25/91/15/588259115.db2.gz LXTMKHXXXOFSDF-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C#C[C@](C)(CC)[NH2+]CCCCn1cc[nH+]c1C ZINC000852101412 588663069 /nfs/dbraw/zinc/66/30/69/588663069.db2.gz PUFHWKBWGGGPIU-CQSZACIVSA-N 2 1 233.359 2.363 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+]CCCCn1cc[nH+]c1C ZINC000852101410 588663216 /nfs/dbraw/zinc/66/32/16/588663216.db2.gz PUFHWKBWGGGPIU-AWEZNQCLSA-N 2 1 233.359 2.363 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369286 589203255 /nfs/dbraw/zinc/20/32/55/589203255.db2.gz ROQDPUNFMGWTSO-OLZOCXBDSA-N 2 1 236.403 2.497 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369286 589203257 /nfs/dbraw/zinc/20/32/57/589203257.db2.gz ROQDPUNFMGWTSO-OLZOCXBDSA-N 2 1 236.403 2.497 20 30 BEEDMP C#C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000862362718 589204061 /nfs/dbraw/zinc/20/40/61/589204061.db2.gz DKGZYIQHLHSJMZ-QWHCGFSZSA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000862362718 589204063 /nfs/dbraw/zinc/20/40/63/589204063.db2.gz DKGZYIQHLHSJMZ-QWHCGFSZSA-N 2 1 222.376 2.107 20 30 BEEDMP C[N@H+]1CC[C@@H]2C[NH+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000877744554 590410507 /nfs/dbraw/zinc/41/05/07/590410507.db2.gz VJZRYMYMKPRLDD-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000877744554 590410510 /nfs/dbraw/zinc/41/05/10/590410510.db2.gz VJZRYMYMKPRLDD-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CC(C)(C)CCC#N)CC[C@H]21 ZINC000877744554 590410513 /nfs/dbraw/zinc/41/05/13/590410513.db2.gz VJZRYMYMKPRLDD-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C=CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702461 590852055 /nfs/dbraw/zinc/85/20/55/590852055.db2.gz LWRUSOPITZXDJK-UHFFFAOYSA-N 2 1 224.392 2.472 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473591 591053664 /nfs/dbraw/zinc/05/36/64/591053664.db2.gz JRQDYFUHANVAKT-ZDUSSCGKSA-N 2 1 235.375 2.239 20 30 BEEDMP C=CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000131653335 591635683 /nfs/dbraw/zinc/63/56/83/591635683.db2.gz GDMDTFKDCCSJPZ-GFCCVEGCSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000131653119 591635989 /nfs/dbraw/zinc/63/59/89/591635989.db2.gz GDMDTFKDCCSJPZ-LBPRGKRZSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000883424022 591659380 /nfs/dbraw/zinc/65/93/80/591659380.db2.gz BPDGRAVHJDPHRW-LBPRGKRZSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000883430111 591662270 /nfs/dbraw/zinc/66/22/70/591662270.db2.gz NHRNDGWBMAPESP-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP C#CC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000886364252 592218047 /nfs/dbraw/zinc/21/80/47/592218047.db2.gz UOPVSJGSMBHFLY-HNNXBMFYSA-N 2 1 234.387 2.208 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869603 592374895 /nfs/dbraw/zinc/37/48/95/592374895.db2.gz CYADAXQCSODNAF-CYBMUJFWSA-N 2 1 208.349 2.028 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876111 592379889 /nfs/dbraw/zinc/37/98/89/592379889.db2.gz IZTXJGOFTRIEFW-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCCCC ZINC000328205319 633743112 /nfs/dbraw/zinc/74/31/12/633743112.db2.gz UTFVHUCXXHYMBM-CQSZACIVSA-N 2 1 224.392 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCCCC ZINC000328205319 633743118 /nfs/dbraw/zinc/74/31/18/633743118.db2.gz UTFVHUCXXHYMBM-CQSZACIVSA-N 2 1 224.392 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000328258341 633747434 /nfs/dbraw/zinc/74/74/34/633747434.db2.gz KUWVQHYNBWIKBL-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000328258341 633747438 /nfs/dbraw/zinc/74/74/38/633747438.db2.gz KUWVQHYNBWIKBL-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277594 640130749 /nfs/dbraw/zinc/13/07/49/640130749.db2.gz MHICZAXYAZDNOO-WDNDVIMCSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277594 640130752 /nfs/dbraw/zinc/13/07/52/640130752.db2.gz MHICZAXYAZDNOO-WDNDVIMCSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@H](C)[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931316006 640154500 /nfs/dbraw/zinc/15/45/00/640154500.db2.gz FTJLKABIEYLUOY-BFHYXJOUSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@@H]1CC[NH+]1CC#CC[N@@H+]1CC[C@H]1CC=C ZINC000934458638 641154964 /nfs/dbraw/zinc/15/49/64/641154964.db2.gz BNEQHDKSVUAGEQ-HZPDHXFCSA-N 2 1 244.382 2.291 20 30 BEEDMP C#C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934515166 641181018 /nfs/dbraw/zinc/18/10/18/641181018.db2.gz QRRXZGNFWXGGPQ-OAHLLOKOSA-N 2 1 234.387 2.350 20 30 BEEDMP C#C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000934515166 641181021 /nfs/dbraw/zinc/18/10/21/641181021.db2.gz QRRXZGNFWXGGPQ-OAHLLOKOSA-N 2 1 234.387 2.350 20 30 BEEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921714890 643761925 /nfs/dbraw/zinc/76/19/25/643761925.db2.gz DIRAQUKHLHTSCE-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921714890 643761929 /nfs/dbraw/zinc/76/19/29/643761929.db2.gz DIRAQUKHLHTSCE-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923540370 644493057 /nfs/dbraw/zinc/49/30/57/644493057.db2.gz USZWXCPFJIYGJD-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923540370 644493079 /nfs/dbraw/zinc/49/30/79/644493079.db2.gz USZWXCPFJIYGJD-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C#CCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000090397752 644590342 /nfs/dbraw/zinc/59/03/42/644590342.db2.gz ZLCUSYAUYFHGBU-KGLIPLIRSA-N 2 1 222.376 2.110 20 30 BEEDMP C[N@@H+](Cc1cccc(C#N)c1)C1CCC([NH3+])CC1 ZINC000091843730 644641591 /nfs/dbraw/zinc/64/15/91/644641591.db2.gz RYKBDKHSRJRYHN-UHFFFAOYSA-N 2 1 243.354 2.260 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)s1 ZINC000382183868 710806368 /nfs/dbraw/zinc/80/63/68/710806368.db2.gz GTBQRIBUNBKQQR-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)s1 ZINC000382183868 710806373 /nfs/dbraw/zinc/80/63/73/710806373.db2.gz GTBQRIBUNBKQQR-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000383029138 710841688 /nfs/dbraw/zinc/84/16/88/710841688.db2.gz CFJJVBSYKYMECZ-KGLIPLIRSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000383029138 710841692 /nfs/dbraw/zinc/84/16/92/710841692.db2.gz CFJJVBSYKYMECZ-KGLIPLIRSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC000383038627 710868787 /nfs/dbraw/zinc/86/87/87/710868787.db2.gz GKSUMOHILBWMAW-UHFFFAOYSA-N 2 1 230.355 2.040 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC000383038627 710868791 /nfs/dbraw/zinc/86/87/91/710868791.db2.gz GKSUMOHILBWMAW-UHFFFAOYSA-N 2 1 230.355 2.040 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000383151688 710977004 /nfs/dbraw/zinc/97/70/04/710977004.db2.gz JUGOZIMSUAVFEV-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000383151688 710977007 /nfs/dbraw/zinc/97/70/07/710977007.db2.gz JUGOZIMSUAVFEV-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000383151664 710978135 /nfs/dbraw/zinc/97/81/35/710978135.db2.gz JUGOZIMSUAVFEV-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000383151664 710978139 /nfs/dbraw/zinc/97/81/39/710978139.db2.gz JUGOZIMSUAVFEV-CABCVRRESA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)C1CCCC1 ZINC000387395169 711042044 /nfs/dbraw/zinc/04/20/44/711042044.db2.gz BOGWHKVDKCNQKL-HNNXBMFYSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)C1CCCC1 ZINC000387395169 711042048 /nfs/dbraw/zinc/04/20/48/711042048.db2.gz BOGWHKVDKCNQKL-HNNXBMFYSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000394782643 711197748 /nfs/dbraw/zinc/19/77/48/711197748.db2.gz HNBOJBVLNMQUHF-GJZGRUSLSA-N 2 1 236.403 2.357 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000394782643 711197750 /nfs/dbraw/zinc/19/77/50/711197750.db2.gz HNBOJBVLNMQUHF-GJZGRUSLSA-N 2 1 236.403 2.357 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1C#N ZINC000723710014 711535856 /nfs/dbraw/zinc/53/58/56/711535856.db2.gz RHTRDOALLWCVOK-ZDUSSCGKSA-N 2 1 243.354 2.037 20 30 BEEDMP C=CCCSCC[NH2+][C@@H]1CC[NH2+]C1(C)C ZINC000925711299 711711149 /nfs/dbraw/zinc/71/11/49/711711149.db2.gz ZOAAISCTFVMWSB-LLVKDONJSA-N 2 1 228.405 2.026 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709922838 712233673 /nfs/dbraw/zinc/23/36/73/712233673.db2.gz JZQSMCSTCKOGAS-LBPRGKRZSA-N 2 1 223.364 2.095 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000715055960 712505082 /nfs/dbraw/zinc/50/50/82/712505082.db2.gz AABHNNVYJDZZFN-RVMXOQNASA-N 2 1 208.349 2.010 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001254504368 969672241 /nfs/dbraw/zinc/67/22/41/969672241.db2.gz UYRYTZHVQUGQGK-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CC[NH+](CC=C)[C@H]1CCC[N@H+](C)CC1 ZINC001254525111 969717715 /nfs/dbraw/zinc/71/77/15/969717715.db2.gz GEBZNAGCRLTTRH-ZDUSSCGKSA-N 2 1 208.349 2.145 20 30 BEEDMP CCCCCCC[C@H](C)[N@@H+]1CCO[C@H](C[NH3+])C1 ZINC000165473981 1166804926 /nfs/dbraw/zinc/80/49/26/1166804926.db2.gz DZEZJCHTDKDORT-UONOGXRCSA-N 2 1 242.407 2.395 20 30 BEEDMP CCCCCCC[C@H](C)[N@H+]1CCO[C@H](C[NH3+])C1 ZINC000165473981 1166804934 /nfs/dbraw/zinc/80/49/34/1166804934.db2.gz DZEZJCHTDKDORT-UONOGXRCSA-N 2 1 242.407 2.395 20 30 BEEDMP C=CCC[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000304293189 1166908509 /nfs/dbraw/zinc/90/85/09/1166908509.db2.gz ZFUSNRJVCNHXNU-AGUYFDCRSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235259571 1167784787 /nfs/dbraw/zinc/78/47/87/1167784787.db2.gz MJCIFIZCWOJVJL-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C[C@H](CCCC#N)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172479711 974779596 /nfs/dbraw/zinc/77/95/96/974779596.db2.gz NUDRIPCVSALOLW-CHWSQXEVSA-N 2 1 223.364 2.000 20 30 BEEDMP C[C@@H](CCCC#N)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172483707 974786218 /nfs/dbraw/zinc/78/62/18/974786218.db2.gz SLHPMMMOZXNQKQ-HIFPTAJRSA-N 2 1 223.364 2.270 20 30 BEEDMP C=CCC[C@@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580921 972947778 /nfs/dbraw/zinc/94/77/78/972947778.db2.gz OHKSLJYXCZUBKQ-OLZOCXBDSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580921 972947790 /nfs/dbraw/zinc/94/77/90/972947790.db2.gz OHKSLJYXCZUBKQ-OLZOCXBDSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246933137 973592885 /nfs/dbraw/zinc/59/28/85/973592885.db2.gz QRORBQYPXQTUIQ-MCIONIFRSA-N 2 1 222.376 2.273 20 30 BEEDMP C=CC[NH+](CC=C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627246 970888556 /nfs/dbraw/zinc/88/85/56/970888556.db2.gz ACEMYUJVOSQGES-PBWFPOADSA-N 2 1 220.360 2.286 20 30 BEEDMP C=CC[NH+](CC=C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256627246 970888561 /nfs/dbraw/zinc/88/85/61/970888561.db2.gz ACEMYUJVOSQGES-PBWFPOADSA-N 2 1 220.360 2.286 20 30 BEEDMP C[N@@H+](CCC[NH+]1CCCC1)C1CCC(C#N)CC1 ZINC001256968110 971042121 /nfs/dbraw/zinc/04/21/21/971042121.db2.gz AMUAEVZKJHMVME-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404313295 971153193 /nfs/dbraw/zinc/15/31/93/971153193.db2.gz XYGIKKZBVWSWFM-KOLCDFICSA-N 2 1 216.756 2.188 20 30 BEEDMP C=C(Cl)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404313295 971153196 /nfs/dbraw/zinc/15/31/96/971153196.db2.gz XYGIKKZBVWSWFM-KOLCDFICSA-N 2 1 216.756 2.188 20 30 BEEDMP CCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC000724094693 971489933 /nfs/dbraw/zinc/48/99/33/971489933.db2.gz ZRZREHBTLFJDQK-UHFFFAOYSA-N 2 1 210.365 2.252 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712467576 962902954 /nfs/dbraw/zinc/90/29/54/962902954.db2.gz MSAWLRKTCMGYTQ-SOUVJXGZSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712467576 962902963 /nfs/dbraw/zinc/90/29/63/962902963.db2.gz MSAWLRKTCMGYTQ-SOUVJXGZSA-N 2 1 234.387 2.110 20 30 BEEDMP C#C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969855 963048062 /nfs/dbraw/zinc/04/80/62/963048062.db2.gz GRNWMDLAOYGCQI-PRTUASRFSA-N 2 1 232.371 2.003 20 30 BEEDMP C#C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969855 963048074 /nfs/dbraw/zinc/04/80/74/963048074.db2.gz GRNWMDLAOYGCQI-PRTUASRFSA-N 2 1 232.371 2.003 20 30 BEEDMP Cc1[nH+]c(N(CCC[NH3+])C(C)C)ccc1CC#N ZINC001156124063 963261303 /nfs/dbraw/zinc/26/13/03/963261303.db2.gz KDLWAFCNGHYWAV-UHFFFAOYSA-N 2 1 246.358 2.020 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001168324246 964445126 /nfs/dbraw/zinc/44/51/26/964445126.db2.gz LPIIEQYIYBFRFT-WLYUNCDWSA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001168324245 964446177 /nfs/dbraw/zinc/44/61/77/964446177.db2.gz LPIIEQYIYBFRFT-NFOMZHRRSA-N 2 1 249.402 2.485 20 30 BEEDMP C=CCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166973 966022240 /nfs/dbraw/zinc/02/22/40/966022240.db2.gz XMYFJMOLXAMDQH-QWHCGFSZSA-N 2 1 208.349 2.156 20 30 BEEDMP C=CCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166973 966022249 /nfs/dbraw/zinc/02/22/49/966022249.db2.gz XMYFJMOLXAMDQH-QWHCGFSZSA-N 2 1 208.349 2.156 20 30 BEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@](C)(C#N)C2)CC1 ZINC001204946393 967251014 /nfs/dbraw/zinc/25/10/14/967251014.db2.gz PJHSBZMGSAUDLU-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP CCCCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209814 967420710 /nfs/dbraw/zinc/42/07/10/967420710.db2.gz LJIOYPNUKMIIGH-AWEZNQCLSA-N 2 1 242.407 2.133 20 30 BEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000829180007 968820714 /nfs/dbraw/zinc/82/07/14/968820714.db2.gz QPBDPGNRTLZUDD-STQMWFEESA-N 2 1 249.402 2.389 20 30 BEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001208598036 969150151 /nfs/dbraw/zinc/15/01/51/969150151.db2.gz QVRGQUULITWWRU-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169100296 969391696 /nfs/dbraw/zinc/39/16/96/969391696.db2.gz IJUIDNXEMQDRHC-FQUUOJAGSA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169100296 969391706 /nfs/dbraw/zinc/39/17/06/969391706.db2.gz IJUIDNXEMQDRHC-FQUUOJAGSA-N 2 1 220.360 2.003 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC(CC#N)CC1)C2 ZINC001169142415 969452400 /nfs/dbraw/zinc/45/24/00/969452400.db2.gz UHVPZPYKUQWAIZ-QDMKHBRRSA-N 2 1 247.386 2.237 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246548873 972692969 /nfs/dbraw/zinc/69/29/69/972692969.db2.gz KQLQFNWMADYNBH-CHWSQXEVSA-N 2 1 228.355 2.494 20 30 BEEDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC001327841760 972756533 /nfs/dbraw/zinc/75/65/33/972756533.db2.gz ZEISUNWEEFVDQB-QWRGUYRKSA-N 2 1 249.333 2.346 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC(C)(C)S)C2 ZINC001172112422 974374895 /nfs/dbraw/zinc/37/48/95/974374895.db2.gz WIBYRUYEDVOVGU-CNDDSTCGSA-N 2 1 242.432 2.300 20 30 BEEDMP C#C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172123578 974390301 /nfs/dbraw/zinc/39/03/01/974390301.db2.gz FDMCOZCIBBQOBH-WCVJEAGWSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123578 974390312 /nfs/dbraw/zinc/39/03/12/974390312.db2.gz FDMCOZCIBBQOBH-WCVJEAGWSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123578 974390317 /nfs/dbraw/zinc/39/03/17/974390317.db2.gz FDMCOZCIBBQOBH-WCVJEAGWSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[N@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123578 974390328 /nfs/dbraw/zinc/39/03/28/974390328.db2.gz FDMCOZCIBBQOBH-WCVJEAGWSA-N 2 1 246.398 2.347 20 30 BEEDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)CCCC#N)C[C@@H]2C1 ZINC001172508087 974861482 /nfs/dbraw/zinc/86/14/82/974861482.db2.gz BDSSJTONJVFYNE-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H](C)CCCC#N)C[C@@H]2C1 ZINC001172508087 974861487 /nfs/dbraw/zinc/86/14/87/974861487.db2.gz BDSSJTONJVFYNE-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C1CCC([N@H+]2CC[C@H](C#N)C2)CC1 ZINC001173114302 975024447 /nfs/dbraw/zinc/02/44/47/975024447.db2.gz FNQGAZKHFYRSPJ-WLYUNCDWSA-N 2 1 249.402 2.485 20 30 BEEDMP N#CCC1CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001173332774 975281810 /nfs/dbraw/zinc/28/18/10/975281810.db2.gz SZEZERKHURYUJP-UHFFFAOYSA-N 2 1 246.358 2.419 20 30 BEEDMP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C)c(C)c2)C1 ZINC001173356024 975311715 /nfs/dbraw/zinc/31/17/15/975311715.db2.gz AWGJNLWIRTZCRT-CQSZACIVSA-N 2 1 245.370 2.103 20 30 BEEDMP CC[N@H+]1CC[C@@H](NC(=[NH2+])c2ccc(C)c(C)c2)C1 ZINC001173356024 975311722 /nfs/dbraw/zinc/31/17/22/975311722.db2.gz AWGJNLWIRTZCRT-CQSZACIVSA-N 2 1 245.370 2.103 20 30 BEEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592088 975443249 /nfs/dbraw/zinc/44/32/49/975443249.db2.gz FLUCUUKHXWIJAC-FGZQJIAISA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592088 975443257 /nfs/dbraw/zinc/44/32/57/975443257.db2.gz FLUCUUKHXWIJAC-FGZQJIAISA-N 2 1 249.402 2.389 20 30 BEEDMP CC1(C#N)CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001173592065 975446402 /nfs/dbraw/zinc/44/64/02/975446402.db2.gz DXDOMAQSIDOISM-UHFFFAOYSA-N 2 1 246.358 2.419 20 30 BEEDMP C=CCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127592 978982290 /nfs/dbraw/zinc/98/22/90/978982290.db2.gz ZQZBVBWZXDLOKG-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235127592 978982296 /nfs/dbraw/zinc/98/22/96/978982296.db2.gz ZQZBVBWZXDLOKG-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCCC[N@@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236085050 979369814 /nfs/dbraw/zinc/36/98/14/979369814.db2.gz JJBGOBBRSYGWBL-ZDUSSCGKSA-N 2 1 240.391 2.389 20 30 BEEDMP C=CCCCC[N@H+](C)CC[C@H]1COC(C)(C)[NH2+]1 ZINC001236085050 979369818 /nfs/dbraw/zinc/36/98/18/979369818.db2.gz JJBGOBBRSYGWBL-ZDUSSCGKSA-N 2 1 240.391 2.389 20 30 BEEDMP C#Cc1cccc(C[N@@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236216190 979452042 /nfs/dbraw/zinc/45/20/42/979452042.db2.gz IWOQYPJXYQQKNH-CVEARBPZSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1cccc(C[N@H+](C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236216190 979452045 /nfs/dbraw/zinc/45/20/45/979452045.db2.gz IWOQYPJXYQQKNH-CVEARBPZSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1cccc(C[N@@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236216191 979454111 /nfs/dbraw/zinc/45/41/11/979454111.db2.gz IWOQYPJXYQQKNH-HOTGVXAUSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1cccc(C[N@H+](C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236216191 979454115 /nfs/dbraw/zinc/45/41/15/979454115.db2.gz IWOQYPJXYQQKNH-HOTGVXAUSA-N 2 1 242.366 2.370 20 30 BEEDMP CCCCCCC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412669 979586408 /nfs/dbraw/zinc/58/64/08/979586408.db2.gz XFTUUYAWZKQZAJ-ITGUQSILSA-N 2 1 210.365 2.106 20 30 BEEDMP C#Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205281049 979882129 /nfs/dbraw/zinc/88/21/29/979882129.db2.gz OUQYGDPHOMUALE-INIZCTEOSA-N 2 1 242.366 2.371 20 30 BEEDMP C#CC1CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238105923 980157864 /nfs/dbraw/zinc/15/78/64/980157864.db2.gz GDXWKXUTUDNNQG-UHFFFAOYSA-N 2 1 239.322 2.180 20 30 BEEDMP CCC#C[C@@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001191173923 980991670 /nfs/dbraw/zinc/99/16/70/980991670.db2.gz KQQHZZZLDFTCKQ-ZIAGYGMSSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001191173923 980991676 /nfs/dbraw/zinc/99/16/76/980991676.db2.gz KQQHZZZLDFTCKQ-ZIAGYGMSSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC001191173923 980991684 /nfs/dbraw/zinc/99/16/84/980991684.db2.gz KQQHZZZLDFTCKQ-ZIAGYGMSSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@@H](C)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC001191173923 980991688 /nfs/dbraw/zinc/99/16/88/980991688.db2.gz KQQHZZZLDFTCKQ-ZIAGYGMSSA-N 2 1 222.376 2.062 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258732510 986074251 /nfs/dbraw/zinc/07/42/51/986074251.db2.gz MONLTMLKSATOIP-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258732510 986074264 /nfs/dbraw/zinc/07/42/64/986074264.db2.gz MONLTMLKSATOIP-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258732510 986074276 /nfs/dbraw/zinc/07/42/76/986074276.db2.gz MONLTMLKSATOIP-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669353 986722085 /nfs/dbraw/zinc/72/20/85/986722085.db2.gz RINXBGDARFUTBA-TZMCWYRMSA-N 2 1 235.375 2.095 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669353 986722094 /nfs/dbraw/zinc/72/20/94/986722094.db2.gz RINXBGDARFUTBA-TZMCWYRMSA-N 2 1 235.375 2.095 20 30 BEEDMP CCCCCCCC[C@@H](O)C[NH2+][C@@H](CC)C[NH3+] ZINC001246000610 987286779 /nfs/dbraw/zinc/28/67/79/987286779.db2.gz LPCGXAMDBLQODF-UONOGXRCSA-N 2 1 244.423 2.425 20 30 BEEDMP CCCCCCC[N@@H+](C)C[C@]1(O)CCC[NH2+]C1 ZINC001246045989 987341923 /nfs/dbraw/zinc/34/19/23/987341923.db2.gz XWIPHEAVBVNUES-AWEZNQCLSA-N 2 1 242.407 2.003 20 30 BEEDMP C=CCCCCCC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246058295 987348726 /nfs/dbraw/zinc/34/87/26/987348726.db2.gz JKIAJFYEAXYBBU-KBPBESRZSA-N 2 1 242.407 2.153 20 30 BEEDMP C=CCCCCCC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246058295 987348734 /nfs/dbraw/zinc/34/87/34/987348734.db2.gz JKIAJFYEAXYBBU-KBPBESRZSA-N 2 1 242.407 2.153 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246561485 987991285 /nfs/dbraw/zinc/99/12/85/987991285.db2.gz TXSOKNLAHWNNQN-QWHCGFSZSA-N 2 1 241.354 2.222 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246561040 987996220 /nfs/dbraw/zinc/99/62/20/987996220.db2.gz HXDXMHXCRVQDQN-MGPQQGTHSA-N 2 1 237.391 2.376 20 30 BEEDMP C[C@H]1C[N@H+](C2CCC(C#N)CC2)CCC[C@@H]1C[NH3+] ZINC001246570090 988050408 /nfs/dbraw/zinc/05/04/08/988050408.db2.gz SSPQVTJNZUJGJF-FGZQJIAISA-N 2 1 249.402 2.376 20 30 BEEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246871115 988633979 /nfs/dbraw/zinc/63/39/79/988633979.db2.gz OAHKKYPXDKUJIL-QWHCGFSZSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246871116 988635782 /nfs/dbraw/zinc/63/57/82/988635782.db2.gz OAHKKYPXDKUJIL-STQMWFEESA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246871114 988636517 /nfs/dbraw/zinc/63/65/17/988636517.db2.gz OAHKKYPXDKUJIL-OLZOCXBDSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[N@H+]([C@H]1CC[NH2+][C@@H](C)C1)C(C)(C)C ZINC001246921508 988731065 /nfs/dbraw/zinc/73/10/65/988731065.db2.gz QNCYKLDENUGGFI-RYUDHWBXSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CC[N@H+]([C@H]1CC[NH2+][C@H](C)C1)C(C)(C)C ZINC001246921505 988733489 /nfs/dbraw/zinc/73/34/89/988733489.db2.gz QNCYKLDENUGGFI-NEPJUHHUSA-N 2 1 210.365 2.413 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH2+][C@@H]4C3)C[C@H](C1)C2 ZINC001246926894 988747702 /nfs/dbraw/zinc/74/77/02/988747702.db2.gz UXKSANVBOQKZGD-VVYWCFLBSA-N 2 1 232.371 2.025 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4C[NH2+][C@@H]4C3)C[C@H](C1)C2 ZINC001246926892 988753677 /nfs/dbraw/zinc/75/36/77/988753677.db2.gz UXKSANVBOQKZGD-KDLCZHGXSA-N 2 1 232.371 2.025 20 30 BEEDMP C[C@@H](CCCC#N)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246940607 988772835 /nfs/dbraw/zinc/77/28/35/988772835.db2.gz JARDYLNXEBSPIA-MELADBBJSA-N 2 1 235.375 2.000 20 30 BEEDMP C=C[C@@H](COC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001325635827 989222852 /nfs/dbraw/zinc/22/28/52/989222852.db2.gz QEDSWYFFDYCYHJ-LBPRGKRZSA-N 2 1 240.391 2.040 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC001258723479 991659374 /nfs/dbraw/zinc/65/93/74/991659374.db2.gz WEFDUYQCAMKFFC-ZDUSSCGKSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001258733454 991680364 /nfs/dbraw/zinc/68/03/64/991680364.db2.gz GJNLCQDZNKHRRS-IHRRRGAJSA-N 2 1 222.376 2.367 20 30 BEEDMP CC(C)[NH2+]C1CC[NH+](CCCCC#N)CC1 ZINC000108370575 136219006 /nfs/dbraw/zinc/21/90/06/136219006.db2.gz CXXWGPXYZKZYNA-UHFFFAOYSA-N 2 1 223.364 2.143 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414174056 398219061 /nfs/dbraw/zinc/21/90/61/398219061.db2.gz XSNDRJIXIYIRGG-AGIUHOORSA-N 2 1 237.391 2.245 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@H](C)C1 ZINC000430750448 398230026 /nfs/dbraw/zinc/23/00/26/398230026.db2.gz NTVXKCIGRKTWHV-OLZOCXBDSA-N 2 1 235.375 2.000 20 30 BEEDMP C[C@@H](CCC#N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000602463819 349557530 /nfs/dbraw/zinc/55/75/30/349557530.db2.gz WGTVRKCWHVPJLI-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602508356 349583402 /nfs/dbraw/zinc/58/34/02/349583402.db2.gz BINXMKCCGSBOSY-STQMWFEESA-N 2 1 248.374 2.357 20 30 BEEDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602508351 349583563 /nfs/dbraw/zinc/58/35/63/349583563.db2.gz BINXMKCCGSBOSY-OLZOCXBDSA-N 2 1 248.374 2.357 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000602510016 349584140 /nfs/dbraw/zinc/58/41/40/349584140.db2.gz IEBQDPRASBIWAU-OLZOCXBDSA-N 2 1 235.375 2.000 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000602513746 349585978 /nfs/dbraw/zinc/58/59/78/349585978.db2.gz HZUBSLOPYBZKFL-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000602513746 349585980 /nfs/dbraw/zinc/58/59/80/349585980.db2.gz HZUBSLOPYBZKFL-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602533569 349601165 /nfs/dbraw/zinc/60/11/65/349601165.db2.gz OLCUATFXFIWVQJ-CHWSQXEVSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@H](C)CCC#N ZINC000602533569 349601167 /nfs/dbraw/zinc/60/11/67/349601167.db2.gz OLCUATFXFIWVQJ-CHWSQXEVSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602533571 349601220 /nfs/dbraw/zinc/60/12/20/349601220.db2.gz OLCUATFXFIWVQJ-QWHCGFSZSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602533571 349601223 /nfs/dbraw/zinc/60/12/23/349601223.db2.gz OLCUATFXFIWVQJ-QWHCGFSZSA-N 2 1 225.380 2.246 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CC[N@H+](C)C1CCCC1 ZINC000602540400 349605367 /nfs/dbraw/zinc/60/53/67/349605367.db2.gz OCFRGPXSXWXKLH-ZDUSSCGKSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000602540400 349605370 /nfs/dbraw/zinc/60/53/70/349605370.db2.gz OCFRGPXSXWXKLH-ZDUSSCGKSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+]C[C@H](C)CCC#N ZINC000602564289 349617064 /nfs/dbraw/zinc/61/70/64/349617064.db2.gz KQVQSDCQUFSFGP-CYBMUJFWSA-N 2 1 225.380 2.248 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+]C[C@H](C)CCC#N ZINC000602564289 349617066 /nfs/dbraw/zinc/61/70/66/349617066.db2.gz KQVQSDCQUFSFGP-CYBMUJFWSA-N 2 1 225.380 2.248 20 30 BEEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000602677218 349669996 /nfs/dbraw/zinc/66/99/96/349669996.db2.gz WZWFGFIYYUCEMV-GJZGRUSLSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000602677218 349669998 /nfs/dbraw/zinc/66/99/98/349669998.db2.gz WZWFGFIYYUCEMV-GJZGRUSLSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@@H](CCC#N)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000602677218 349669999 /nfs/dbraw/zinc/66/99/99/349669999.db2.gz WZWFGFIYYUCEMV-GJZGRUSLSA-N 2 1 249.402 2.344 20 30 BEEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602672426 349667063 /nfs/dbraw/zinc/66/70/63/349667063.db2.gz YNPKFHCIRZZZOI-STQMWFEESA-N 2 1 225.380 2.245 20 30 BEEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602672426 349667065 /nfs/dbraw/zinc/66/70/65/349667065.db2.gz YNPKFHCIRZZZOI-STQMWFEESA-N 2 1 225.380 2.245 20 30 BEEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602668954 349685863 /nfs/dbraw/zinc/68/58/63/349685863.db2.gz YNPKFHCIRZZZOI-QWHCGFSZSA-N 2 1 225.380 2.245 20 30 BEEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602668954 349685866 /nfs/dbraw/zinc/68/58/66/349685866.db2.gz YNPKFHCIRZZZOI-QWHCGFSZSA-N 2 1 225.380 2.245 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796074 349737654 /nfs/dbraw/zinc/73/76/54/349737654.db2.gz VGDLAPRSYUXPIJ-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796074 349737656 /nfs/dbraw/zinc/73/76/56/349737656.db2.gz VGDLAPRSYUXPIJ-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)[C@H](C)C1 ZINC000602796074 349737659 /nfs/dbraw/zinc/73/76/59/349737659.db2.gz VGDLAPRSYUXPIJ-KGLIPLIRSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746201 /nfs/dbraw/zinc/74/62/01/349746201.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746203 /nfs/dbraw/zinc/74/62/03/349746203.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746205 /nfs/dbraw/zinc/74/62/05/349746205.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746206 /nfs/dbraw/zinc/74/62/06/349746206.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+]1CCC2(CC[N@@H+](CCC(C)(C)C#N)C2)CC1 ZINC000602878358 349790004 /nfs/dbraw/zinc/79/00/04/349790004.db2.gz QJCRRGBGBLYSJP-UHFFFAOYSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC1([NH+](C)C)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602966865 349827773 /nfs/dbraw/zinc/82/77/73/349827773.db2.gz UERDGQGIIGMLFV-UONOGXRCSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@H+](C)Cc1cccc(C[NH2+]CCC#N)c1 ZINC000584226882 343775315 /nfs/dbraw/zinc/77/53/15/343775315.db2.gz SVOUZKMOVLKDRT-UHFFFAOYSA-N 2 1 231.343 2.142 20 30 BEEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC#N)c1 ZINC000584226882 343775316 /nfs/dbraw/zinc/77/53/16/343775316.db2.gz SVOUZKMOVLKDRT-UHFFFAOYSA-N 2 1 231.343 2.142 20 30 BEEDMP C=CC[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000625700084 344039814 /nfs/dbraw/zinc/03/98/14/344039814.db2.gz ADCOEASJIRUPLX-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000625700084 344039817 /nfs/dbraw/zinc/03/98/17/344039817.db2.gz ADCOEASJIRUPLX-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000625700084 344039819 /nfs/dbraw/zinc/03/98/19/344039819.db2.gz ADCOEASJIRUPLX-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[N@@H+](CCC1CC[NH2+]CC1)C1CC1 ZINC000131674120 344234547 /nfs/dbraw/zinc/23/45/47/344234547.db2.gz UNRGLKGUMFLFQD-UHFFFAOYSA-N 2 1 208.349 2.027 20 30 BEEDMP Cc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1C#N ZINC000574926400 346415191 /nfs/dbraw/zinc/41/51/91/346415191.db2.gz BIYJOWJVTPFZJD-UHFFFAOYSA-N 2 1 243.354 2.052 20 30 BEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000589195489 346672941 /nfs/dbraw/zinc/67/29/41/346672941.db2.gz ZRQXOJKOOMJJIE-ZNMIVQPWSA-N 2 1 249.402 2.389 20 30 BEEDMP C=C(C)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000109788077 347465687 /nfs/dbraw/zinc/46/56/87/347465687.db2.gz HFXKDTDPQRLHGM-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H](C)[NH3+] ZINC000591579973 347677414 /nfs/dbraw/zinc/67/74/14/347677414.db2.gz COHBDLKBXJQWRR-FIXISWKDSA-N 2 1 243.354 2.261 20 30 BEEDMP CC[C@H]([NH3+])C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591579963 347677492 /nfs/dbraw/zinc/67/74/92/347677492.db2.gz BMHZGNNVFBQKAS-ZFWWWQNUSA-N 2 1 243.354 2.263 20 30 BEEDMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591579974 347677941 /nfs/dbraw/zinc/67/79/41/347677941.db2.gz COHBDLKBXJQWRR-PGUXBMHVSA-N 2 1 243.354 2.261 20 30 BEEDMP C=CCCSCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000596649908 348605002 /nfs/dbraw/zinc/60/50/02/348605002.db2.gz HJBSMNVHQKTWIQ-QWHCGFSZSA-N 2 1 242.432 2.416 20 30 BEEDMP N#CC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000596653881 348608013 /nfs/dbraw/zinc/60/80/13/348608013.db2.gz XOQHZNZAWXILEL-CHWSQXEVSA-N 2 1 235.375 2.177 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000599071121 349087977 /nfs/dbraw/zinc/08/79/77/349087977.db2.gz QOTUSEWDOUGCIK-RBSFLKMASA-N 2 1 249.402 2.390 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000599071839 349088033 /nfs/dbraw/zinc/08/80/33/349088033.db2.gz UQFFPVLXUZYXOF-MJBXVCDLSA-N 2 1 235.375 2.000 20 30 BEEDMP C=C(C)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336649240 350418144 /nfs/dbraw/zinc/41/81/44/350418144.db2.gz QQEPHNNDDHHCGW-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336649240 350418146 /nfs/dbraw/zinc/41/81/46/350418146.db2.gz QQEPHNNDDHHCGW-CHWSQXEVSA-N 2 1 210.365 2.367 20 30 BEEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC#N)C[C@@H]1C ZINC000336669139 350432846 /nfs/dbraw/zinc/43/28/46/350432846.db2.gz HVLJENHNCWLYBG-QWHCGFSZSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC#N)C[C@@H]1C ZINC000336669139 350432850 /nfs/dbraw/zinc/43/28/50/350432850.db2.gz HVLJENHNCWLYBG-QWHCGFSZSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC#N)C[C@@H]1C ZINC000336669139 350432852 /nfs/dbraw/zinc/43/28/52/350432852.db2.gz HVLJENHNCWLYBG-QWHCGFSZSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC#N)C[C@@H]1C ZINC000336669139 350432855 /nfs/dbraw/zinc/43/28/55/350432855.db2.gz HVLJENHNCWLYBG-QWHCGFSZSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC#N)C[C@H]1C ZINC000336717778 350469342 /nfs/dbraw/zinc/46/93/42/350469342.db2.gz YKTSFSPXUPRWOC-KGLIPLIRSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC#N)C[C@H]1C ZINC000336717778 350469344 /nfs/dbraw/zinc/46/93/44/350469344.db2.gz YKTSFSPXUPRWOC-KGLIPLIRSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC#N)C[C@H]1C ZINC000336717778 350469346 /nfs/dbraw/zinc/46/93/46/350469346.db2.gz YKTSFSPXUPRWOC-KGLIPLIRSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000122318629 362973972 /nfs/dbraw/zinc/97/39/72/362973972.db2.gz JWZFJTDYJXVGHT-CABCVRRESA-N 2 1 243.354 2.117 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336734210 351887867 /nfs/dbraw/zinc/88/78/67/351887867.db2.gz MZYUYACERJVOIO-RWMBFGLXSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336734210 351887869 /nfs/dbraw/zinc/88/78/69/351887869.db2.gz MZYUYACERJVOIO-RWMBFGLXSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000336763834 353250840 /nfs/dbraw/zinc/25/08/40/353250840.db2.gz PQZBKKJHGWQTOQ-CHWSQXEVSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000230658937 363316948 /nfs/dbraw/zinc/31/69/48/363316948.db2.gz ACLJRUQDJIWFTL-OLZOCXBDSA-N 2 1 210.365 2.273 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351424413 355989428 /nfs/dbraw/zinc/98/94/28/355989428.db2.gz VZWGPEWITSQKHW-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351424413 355989431 /nfs/dbraw/zinc/98/94/31/355989431.db2.gz VZWGPEWITSQKHW-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000584391728 357883646 /nfs/dbraw/zinc/88/36/46/357883646.db2.gz CMAATBRXGGCZID-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000584391728 357883650 /nfs/dbraw/zinc/88/36/50/357883650.db2.gz CMAATBRXGGCZID-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000584391728 357883655 /nfs/dbraw/zinc/88/36/55/357883655.db2.gz CMAATBRXGGCZID-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000629550859 361444389 /nfs/dbraw/zinc/44/43/89/361444389.db2.gz PNRHGIYCERGURS-CQSZACIVSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152385521 201198868 /nfs/dbraw/zinc/19/88/68/201198868.db2.gz BUUNKQVEBWWCCM-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152385521 201198869 /nfs/dbraw/zinc/19/88/69/201198869.db2.gz BUUNKQVEBWWCCM-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP CC#CCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000155854952 201357902 /nfs/dbraw/zinc/35/79/02/201357902.db2.gz SHJZGPBRTJQFGV-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C=CCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336673935 365349278 /nfs/dbraw/zinc/34/92/78/365349278.db2.gz GWDKJMWAQIFWHZ-UHFFFAOYSA-N 2 1 208.349 2.169 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001642281072 1172339883 /nfs/dbraw/zinc/33/98/83/1172339883.db2.gz DIUCVLZTFXZMQR-CQSZACIVSA-N 2 1 243.354 2.006 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCCCCC1 ZINC000382185525 367494528 /nfs/dbraw/zinc/49/45/28/367494528.db2.gz GYCCVYQTPUBHNE-UHFFFAOYSA-N 2 1 222.376 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCCCCC1 ZINC000382185525 367494530 /nfs/dbraw/zinc/49/45/30/367494530.db2.gz GYCCVYQTPUBHNE-UHFFFAOYSA-N 2 1 222.376 2.254 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000384861064 367746101 /nfs/dbraw/zinc/74/61/01/367746101.db2.gz OINYHJVVKIWXLZ-NEPJUHHUSA-N 2 1 210.365 2.128 20 30 BEEDMP C[C@H]1C[C@H](NCC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067975 369443229 /nfs/dbraw/zinc/44/32/29/369443229.db2.gz CBVZWVOIJJDXGI-QWHCGFSZSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@@H]1C[C@H](NCC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067973 369443492 /nfs/dbraw/zinc/44/34/92/369443492.db2.gz CBVZWVOIJJDXGI-CHWSQXEVSA-N 2 1 235.375 2.143 20 30 BEEDMP CC(C)(CC#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459732132 203345802 /nfs/dbraw/zinc/34/58/02/203345802.db2.gz OQUREXMXHZVFTH-QWHCGFSZSA-N 2 1 235.375 2.143 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000165302719 203384118 /nfs/dbraw/zinc/38/41/18/203384118.db2.gz STWYUAIXZYTTDK-LBPRGKRZSA-N 2 1 222.376 2.415 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000600711095 369559524 /nfs/dbraw/zinc/55/95/24/369559524.db2.gz QXFDDWSWFGUVED-SWLSCSKDSA-N 2 1 243.354 2.178 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000600711095 369559528 /nfs/dbraw/zinc/55/95/28/369559528.db2.gz QXFDDWSWFGUVED-SWLSCSKDSA-N 2 1 243.354 2.178 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1C#N ZINC000600709661 369559580 /nfs/dbraw/zinc/55/95/80/369559580.db2.gz PHRBBDGULVPNTR-OCCSQVGLSA-N 2 1 243.354 2.036 20 30 BEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CC3(CC#N)CC3)CC[C@H]21 ZINC000227336113 371835786 /nfs/dbraw/zinc/83/57/86/371835786.db2.gz SRHKPXNOOQDHFG-ZIAGYGMSSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000227336113 371835789 /nfs/dbraw/zinc/83/57/89/371835789.db2.gz SRHKPXNOOQDHFG-ZIAGYGMSSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3(CC#N)CC3)CC[C@H]21 ZINC000227336113 371835795 /nfs/dbraw/zinc/83/57/95/371835795.db2.gz SRHKPXNOOQDHFG-ZIAGYGMSSA-N 2 1 247.386 2.096 20 30 BEEDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000070074543 384231972 /nfs/dbraw/zinc/23/19/72/384231972.db2.gz UWIAXGLPDNVAJN-DOMZBBRYSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@@H]1C[C@H](C)[NH+](CC#CC[N@H+]2C[C@H](C)C[C@@H]2C)C1 ZINC000556497926 384414891 /nfs/dbraw/zinc/41/48/91/384414891.db2.gz RLIDPROBASSJSB-WCVJEAGWSA-N 2 1 248.414 2.450 20 30 BEEDMP C#C[C@@H](C)[NH+](C)CCCCC[N@H+](C)[C@@H](C)C#C ZINC000491810531 384826502 /nfs/dbraw/zinc/82/65/02/384826502.db2.gz ITSFTBQYKIGADZ-GASCZTMLSA-N 2 1 234.387 2.064 20 30 BEEDMP C#C[C@@H](C)[N@@H+](C)CCCCC[NH+](C)[C@@H](C)C#C ZINC000491810531 384826509 /nfs/dbraw/zinc/82/65/09/384826509.db2.gz ITSFTBQYKIGADZ-GASCZTMLSA-N 2 1 234.387 2.064 20 30 BEEDMP C#C[C@@H](C)[N@H+](C)CCCCC[NH+](C)[C@@H](C)C#C ZINC000491810531 384826520 /nfs/dbraw/zinc/82/65/20/384826520.db2.gz ITSFTBQYKIGADZ-GASCZTMLSA-N 2 1 234.387 2.064 20 30 BEEDMP CCC[N@H+](CC)CCN[C@H]1CC[C@@H](C#N)C1 ZINC000310029589 384812621 /nfs/dbraw/zinc/81/26/21/384812621.db2.gz QRGDMVNEAHPPIN-OLZOCXBDSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@@H+](CC)CCN[C@H]1CC[C@@H](C#N)C1 ZINC000310029589 384812627 /nfs/dbraw/zinc/81/26/27/384812627.db2.gz QRGDMVNEAHPPIN-OLZOCXBDSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310029589 384812629 /nfs/dbraw/zinc/81/26/29/384812629.db2.gz QRGDMVNEAHPPIN-OLZOCXBDSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310029589 384812637 /nfs/dbraw/zinc/81/26/37/384812637.db2.gz QRGDMVNEAHPPIN-OLZOCXBDSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@H+](CC)CCN[C@@H]1CC[C@H](C#N)C1 ZINC000310029590 384813441 /nfs/dbraw/zinc/81/34/41/384813441.db2.gz QRGDMVNEAHPPIN-QWHCGFSZSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@@H+](CC)CCN[C@@H]1CC[C@H](C#N)C1 ZINC000310029590 384813447 /nfs/dbraw/zinc/81/34/47/384813447.db2.gz QRGDMVNEAHPPIN-QWHCGFSZSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310029590 384813454 /nfs/dbraw/zinc/81/34/54/384813454.db2.gz QRGDMVNEAHPPIN-QWHCGFSZSA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310029590 384813463 /nfs/dbraw/zinc/81/34/63/384813463.db2.gz QRGDMVNEAHPPIN-QWHCGFSZSA-N 2 1 223.364 2.000 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157913789 385309703 /nfs/dbraw/zinc/30/97/03/385309703.db2.gz KLRAKKRTBDDAJW-CHWSQXEVSA-N 2 1 208.349 2.169 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]CCSCC)CC1 ZINC000309502932 385640882 /nfs/dbraw/zinc/64/08/82/385640882.db2.gz AGRADOVVSRUWKL-UHFFFAOYSA-N 2 1 242.432 2.370 20 30 BEEDMP C=CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718793 385736277 /nfs/dbraw/zinc/73/62/77/385736277.db2.gz SLMOIIBFSAPCCS-STQMWFEESA-N 2 1 222.376 2.415 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](C)CCC#N ZINC000602517604 385798870 /nfs/dbraw/zinc/79/88/70/385798870.db2.gz HIEWVYMQQHQMNZ-GFCCVEGCSA-N 2 1 234.347 2.111 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](C)CCC#N ZINC000602517605 385799841 /nfs/dbraw/zinc/79/98/41/385799841.db2.gz HIEWVYMQQHQMNZ-LBPRGKRZSA-N 2 1 234.347 2.111 20 30 BEEDMP C=CCOc1cccc(C[NH2+]C[C@H]([NH3+])CC)c1 ZINC000414972236 385980333 /nfs/dbraw/zinc/98/03/33/385980333.db2.gz ANJXMTRZUOZNKJ-CYBMUJFWSA-N 2 1 234.343 2.078 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]2CCC[C@@H]21 ZINC000414159846 386046455 /nfs/dbraw/zinc/04/64/55/386046455.db2.gz CBWAINNHRUEYAG-IHRRRGAJSA-N 2 1 249.402 2.389 20 30 BEEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414752683 386383360 /nfs/dbraw/zinc/38/33/60/386383360.db2.gz CIMQSISUUGPSOO-BFHYXJOUSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCOc1cccc(C[NH2+]CC(C)(C)[NH3+])c1 ZINC000414810900 386633158 /nfs/dbraw/zinc/63/31/58/386633158.db2.gz YEIGHENFVSLBRM-UHFFFAOYSA-N 2 1 234.343 2.078 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502023 387356839 /nfs/dbraw/zinc/35/68/39/387356839.db2.gz WHTYJUCUCMMXNM-AVGNSLFASA-N 2 1 210.365 2.319 20 30 BEEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643502195 387357413 /nfs/dbraw/zinc/35/74/13/387357413.db2.gz ZNZWNVAPTZSMCP-UONOGXRCSA-N 2 1 222.376 2.463 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000192847317 387731333 /nfs/dbraw/zinc/73/13/33/387731333.db2.gz MNFWUIXPJCTNMD-BFHYXJOUSA-N 2 1 235.375 2.000 20 30 BEEDMP C[NH+](C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353408362 387789428 /nfs/dbraw/zinc/78/94/28/387789428.db2.gz CXUOSYGJNMAWHV-OAHLLOKOSA-N 2 1 243.354 2.087 20 30 BEEDMP C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999864 387805759 /nfs/dbraw/zinc/80/57/59/387805759.db2.gz TWGLVWKSSWQFGE-IUODEOHRSA-N 2 1 243.354 2.229 20 30 BEEDMP C=CCSCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422949772 387807189 /nfs/dbraw/zinc/80/71/89/387807189.db2.gz WIOZYBZBJALBBT-JTQLQIEISA-N 2 1 237.372 2.064 20 30 BEEDMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000442634964 387810421 /nfs/dbraw/zinc/81/04/21/387810421.db2.gz ICUGZIALGNDVSI-OLZOCXBDSA-N 2 1 235.375 2.143 20 30 BEEDMP C=C(C[NH2+][C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423033469 387849199 /nfs/dbraw/zinc/84/91/99/387849199.db2.gz WWZUFFJRBGYTDH-KGLIPLIRSA-N 2 1 216.328 2.169 20 30 BEEDMP C=C(C[NH2+][C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423033468 387849485 /nfs/dbraw/zinc/84/94/85/387849485.db2.gz WWZUFFJRBGYTDH-KBPBESRZSA-N 2 1 216.328 2.169 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423097771 387887431 /nfs/dbraw/zinc/88/74/31/387887431.db2.gz BJHINNLQKLYNPJ-LSDHHAIUSA-N 2 1 246.354 2.221 20 30 BEEDMP C[C@@H]([NH2+]CC(C)(C)CCC#N)c1c[nH+]ccc1N ZINC000423119910 387901675 /nfs/dbraw/zinc/90/16/75/387901675.db2.gz FUBXYTYDLBUHPI-LLVKDONJSA-N 2 1 246.358 2.475 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCCC ZINC000328123210 387907470 /nfs/dbraw/zinc/90/74/70/387907470.db2.gz RVNUVUQHQUFENG-ZDUSSCGKSA-N 2 1 210.365 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCCC ZINC000328123210 387907477 /nfs/dbraw/zinc/90/74/77/387907477.db2.gz RVNUVUQHQUFENG-ZDUSSCGKSA-N 2 1 210.365 2.110 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423151319 387930259 /nfs/dbraw/zinc/93/02/59/387930259.db2.gz JUSIDVBZRHSMPF-JTQLQIEISA-N 2 1 219.332 2.357 20 30 BEEDMP C[N@@H+](CCCC[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000453416438 388077849 /nfs/dbraw/zinc/07/78/49/388077849.db2.gz XNZQWYPOYOGJPR-OLZOCXBDSA-N 2 1 235.375 2.143 20 30 BEEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423266468 388046179 /nfs/dbraw/zinc/04/61/79/388046179.db2.gz SCPGFIQKMIFAFK-RWMBFGLXSA-N 2 1 223.364 2.032 20 30 BEEDMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492635 388248525 /nfs/dbraw/zinc/24/85/25/388248525.db2.gz ALWWCSHOVURSOC-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492635 388248527 /nfs/dbraw/zinc/24/85/27/388248527.db2.gz ALWWCSHOVURSOC-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000491376319 388289941 /nfs/dbraw/zinc/28/99/41/388289941.db2.gz ZKDNPBLNOSVZGP-UHFFFAOYSA-N 2 1 247.386 2.004 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000491376319 388289942 /nfs/dbraw/zinc/28/99/42/388289942.db2.gz ZKDNPBLNOSVZGP-UHFFFAOYSA-N 2 1 247.386 2.004 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCC#N)[C@H](C)C1 ZINC000079461374 388535491 /nfs/dbraw/zinc/53/54/91/388535491.db2.gz RVTJWZJPEXOCEE-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCC#N)[C@H](C)C1 ZINC000079461374 388535493 /nfs/dbraw/zinc/53/54/93/388535493.db2.gz RVTJWZJPEXOCEE-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCC#N)[C@H](C)C1 ZINC000079461374 388535495 /nfs/dbraw/zinc/53/54/95/388535495.db2.gz RVTJWZJPEXOCEE-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000387442382 388581617 /nfs/dbraw/zinc/58/16/17/388581617.db2.gz PSAKXLGUERTYJB-YNEHKIRRSA-N 2 1 210.365 2.271 20 30 BEEDMP C#CC[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192221634 388676159 /nfs/dbraw/zinc/67/61/59/388676159.db2.gz OIDVQXGEMUXOID-UHFFFAOYSA-N 2 1 239.322 2.246 20 30 BEEDMP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000515556496 388649683 /nfs/dbraw/zinc/64/96/83/388649683.db2.gz JVHSROVJEADOBH-UHFFFAOYSA-N 2 1 245.370 2.250 20 30 BEEDMP Cc1cc(C[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000515556496 388649688 /nfs/dbraw/zinc/64/96/88/388649688.db2.gz JVHSROVJEADOBH-UHFFFAOYSA-N 2 1 245.370 2.250 20 30 BEEDMP C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644185 388745824 /nfs/dbraw/zinc/74/58/24/388745824.db2.gz KUEJTBJIJDVPCY-NEPJUHHUSA-N 2 1 247.342 2.066 20 30 BEEDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000019905803 388751263 /nfs/dbraw/zinc/75/12/63/388751263.db2.gz ZXBCTWFRQYANMX-UHFFFAOYSA-N 2 1 245.370 2.236 20 30 BEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423269807 388689703 /nfs/dbraw/zinc/68/97/03/388689703.db2.gz HQAFCOGSSFCGTR-SMDDNHRTSA-N 2 1 231.343 2.192 20 30 BEEDMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)c(F)c1 ZINC000423282221 388689872 /nfs/dbraw/zinc/68/98/72/388689872.db2.gz CLMOTMYWBAXNOJ-SECBINFHSA-N 2 1 235.306 2.085 20 30 BEEDMP CC[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C#N)cc1 ZINC000423275615 388690371 /nfs/dbraw/zinc/69/03/71/388690371.db2.gz LZHOOPPJRCKJOC-GJZGRUSLSA-N 2 1 243.354 2.336 20 30 BEEDMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275615 388690373 /nfs/dbraw/zinc/69/03/73/388690373.db2.gz LZHOOPPJRCKJOC-GJZGRUSLSA-N 2 1 243.354 2.336 20 30 BEEDMP C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280217 388690423 /nfs/dbraw/zinc/69/04/23/388690423.db2.gz SMHWFXZHIRKBGJ-OTYXRUKQSA-N 2 1 247.317 2.085 20 30 BEEDMP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313905 388691582 /nfs/dbraw/zinc/69/15/82/388691582.db2.gz GIPMZPXURCWUOY-GJZGRUSLSA-N 2 1 243.354 2.336 20 30 BEEDMP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423455844 388692664 /nfs/dbraw/zinc/69/26/64/388692664.db2.gz DAHVGSQIZJGWEA-KGLIPLIRSA-N 2 1 231.343 2.336 20 30 BEEDMP C[N@@H+]1CCCC12CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000335967935 134028904 /nfs/dbraw/zinc/02/89/04/134028904.db2.gz OPYUJLGSPUJDES-KGLIPLIRSA-N 2 1 247.386 2.239 20 30 BEEDMP C[N@H+]1CCCC12CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000335967935 134028905 /nfs/dbraw/zinc/02/89/05/134028905.db2.gz OPYUJLGSPUJDES-KGLIPLIRSA-N 2 1 247.386 2.239 20 30 BEEDMP C=CCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000338549725 135038649 /nfs/dbraw/zinc/03/86/49/135038649.db2.gz VZVHNJVGJYFGNR-UHFFFAOYSA-N 2 1 233.359 2.251 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293840920 135183956 /nfs/dbraw/zinc/18/39/56/135183956.db2.gz QNYCACOCILJWRO-ZIAGYGMSSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293840920 135183959 /nfs/dbraw/zinc/18/39/59/135183959.db2.gz QNYCACOCILJWRO-ZIAGYGMSSA-N 2 1 246.358 2.206 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)CCC=C ZINC000295033676 135378510 /nfs/dbraw/zinc/37/85/10/135378510.db2.gz OVIZZIADXXBABE-CQSZACIVSA-N 2 1 222.376 2.276 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)CCC=C ZINC000295033676 135378512 /nfs/dbraw/zinc/37/85/12/135378512.db2.gz OVIZZIADXXBABE-CQSZACIVSA-N 2 1 222.376 2.276 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000334393854 135385667 /nfs/dbraw/zinc/38/56/67/135385667.db2.gz BEJSPEUJLQHSRD-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334393854 135385668 /nfs/dbraw/zinc/38/56/68/135385668.db2.gz BEJSPEUJLQHSRD-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000334393854 135385670 /nfs/dbraw/zinc/38/56/70/135385670.db2.gz BEJSPEUJLQHSRD-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP CC(C)[NH2+]C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000119631169 167094927 /nfs/dbraw/zinc/09/49/27/167094927.db2.gz AQMYGKQNHBCQFQ-UHFFFAOYSA-N 2 1 237.391 2.389 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602516656 411295760 /nfs/dbraw/zinc/29/57/60/411295760.db2.gz PBCLMHSSAOJZGQ-RDBSUJKOSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000602516653 411296206 /nfs/dbraw/zinc/29/62/06/411296206.db2.gz PBCLMHSSAOJZGQ-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000656787930 411367136 /nfs/dbraw/zinc/36/71/36/411367136.db2.gz ZQMNEALGFZNYCT-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404370500 411392799 /nfs/dbraw/zinc/39/27/99/411392799.db2.gz QUIFADDCQXXXQC-CHWSQXEVSA-N 2 1 210.365 2.402 20 30 BEEDMP C[N@@H+](CCCC[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000453602567 411404719 /nfs/dbraw/zinc/40/47/19/411404719.db2.gz WXBQSVVOWNNDCT-UHFFFAOYSA-N 2 1 247.342 2.115 20 30 BEEDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135681040 170007721 /nfs/dbraw/zinc/00/77/21/170007721.db2.gz NQJUUINGHXLBMH-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135681040 170007723 /nfs/dbraw/zinc/00/77/23/170007723.db2.gz NQJUUINGHXLBMH-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135681001 170015471 /nfs/dbraw/zinc/01/54/71/170015471.db2.gz NQJUUINGHXLBMH-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135681001 170015473 /nfs/dbraw/zinc/01/54/73/170015473.db2.gz NQJUUINGHXLBMH-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C=C(C)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245438656 323006092 /nfs/dbraw/zinc/00/60/92/323006092.db2.gz SGPOVKOWUNAVEM-STQMWFEESA-N 2 1 210.365 2.225 20 30 BEEDMP C=C(C)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245438656 323006093 /nfs/dbraw/zinc/00/60/93/323006093.db2.gz SGPOVKOWUNAVEM-STQMWFEESA-N 2 1 210.365 2.225 20 30 BEEDMP C=C(C)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000245438656 323006094 /nfs/dbraw/zinc/00/60/94/323006094.db2.gz SGPOVKOWUNAVEM-STQMWFEESA-N 2 1 210.365 2.225 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C ZINC000328301635 323193220 /nfs/dbraw/zinc/19/32/20/323193220.db2.gz URFJBFKPXSGRLJ-KGLIPLIRSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C ZINC000328301635 323193221 /nfs/dbraw/zinc/19/32/21/323193221.db2.gz URFJBFKPXSGRLJ-KGLIPLIRSA-N 2 1 222.376 2.110 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH+]1CCC(CC#N)CC1 ZINC000542878628 325060040 /nfs/dbraw/zinc/06/00/40/325060040.db2.gz IXJSVNSFIUKNMO-UHFFFAOYSA-N 2 1 246.358 2.207 20 30 BEEDMP C=CCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000133036474 325261642 /nfs/dbraw/zinc/26/16/42/325261642.db2.gz PSDWVGADTZHDSC-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335516775 490394552 /nfs/dbraw/zinc/39/45/52/490394552.db2.gz UQGRXOGMJHCCBU-AHPWVWPOSA-N 2 1 235.375 2.046 20 30 BEEDMP C=CCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000173913854 534719739 /nfs/dbraw/zinc/71/97/39/534719739.db2.gz MTJNOHJCNXKFKE-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173913854 534719740 /nfs/dbraw/zinc/71/97/40/534719740.db2.gz MTJNOHJCNXKFKE-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000173913854 534719744 /nfs/dbraw/zinc/71/97/44/534719744.db2.gz MTJNOHJCNXKFKE-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000169112849 534887316 /nfs/dbraw/zinc/88/73/16/534887316.db2.gz SUELRAXFNPZVLI-ODWCKFRGSA-N 2 1 208.349 2.166 20 30 BEEDMP C#C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000300862649 527289936 /nfs/dbraw/zinc/28/99/36/527289936.db2.gz GQTZJZIAWNEUAC-CQSZACIVSA-N 2 1 222.376 2.107 20 30 BEEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000353576058 535017094 /nfs/dbraw/zinc/01/70/94/535017094.db2.gz MREPTWJNWPDLHM-HZSPNIEDSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000353576058 535017098 /nfs/dbraw/zinc/01/70/98/535017098.db2.gz MREPTWJNWPDLHM-HZSPNIEDSA-N 2 1 237.391 2.387 20 30 BEEDMP C[NH+]1CCC2(CCC[N@@H+](CCCCC#N)C2)CC1 ZINC000367202067 536346634 /nfs/dbraw/zinc/34/66/34/536346634.db2.gz XOURUKJDRZGTHE-UHFFFAOYSA-N 2 1 249.402 2.488 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CSCCC ZINC000894640209 583498784 /nfs/dbraw/zinc/49/87/84/583498784.db2.gz YKYBLSVSXKANRE-ZDUSSCGKSA-N 2 1 242.432 2.063 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CSCCC ZINC000894640209 583498785 /nfs/dbraw/zinc/49/87/85/583498785.db2.gz YKYBLSVSXKANRE-ZDUSSCGKSA-N 2 1 242.432 2.063 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858150395 588935802 /nfs/dbraw/zinc/93/58/02/588935802.db2.gz URXWEQCOLIIMHM-CYBMUJFWSA-N 2 1 222.376 2.252 20 30 BEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCC[NH2+]2)C1 ZINC000902482142 584624348 /nfs/dbraw/zinc/62/43/48/584624348.db2.gz JPOYHLAELHXKSF-MGPQQGTHSA-N 2 1 235.375 2.191 20 30 BEEDMP C[NH2+]C[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903420963 584763769 /nfs/dbraw/zinc/76/37/69/584763769.db2.gz HZYVPESGQUEVPL-YMAMQOFZSA-N 2 1 249.402 2.248 20 30 BEEDMP CC[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1[NH3+] ZINC000903450175 584771915 /nfs/dbraw/zinc/77/19/15/584771915.db2.gz OOKIZFIKQKTMEM-CVSAEHQPSA-N 2 1 249.402 2.376 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000903476201 584777484 /nfs/dbraw/zinc/77/74/84/584777484.db2.gz QDWPZDUMQGPMGF-WUCCLRPBSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000903476201 584777485 /nfs/dbraw/zinc/77/74/85/584777485.db2.gz QDWPZDUMQGPMGF-WUCCLRPBSA-N 2 1 247.386 2.143 20 30 BEEDMP N#C[C@H]1CCC[N@H+](CCCCCCC[NH3+])C1 ZINC000903563792 584782381 /nfs/dbraw/zinc/78/23/81/584782381.db2.gz LJHZONSKRAQZOF-CYBMUJFWSA-N 2 1 223.364 2.131 20 30 BEEDMP C[N@@H+](CCC[NH3+])CCCCC1(C#N)CCC1 ZINC000903718104 584792163 /nfs/dbraw/zinc/79/21/63/584792163.db2.gz ZRRLULRTBJHSSX-UHFFFAOYSA-N 2 1 223.364 2.131 20 30 BEEDMP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903751156 584795367 /nfs/dbraw/zinc/79/53/67/584795367.db2.gz BOAUVKSDBLUFFB-STQMWFEESA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903751156 584795368 /nfs/dbraw/zinc/79/53/68/584795368.db2.gz BOAUVKSDBLUFFB-STQMWFEESA-N 2 1 235.375 2.272 20 30 BEEDMP C=CCCC[N@H+](CC)CC[C@H]1CC[NH2+]C1 ZINC000903850105 584808404 /nfs/dbraw/zinc/80/84/04/584808404.db2.gz KOZCQNXXYMBWHH-CYBMUJFWSA-N 2 1 210.365 2.274 20 30 BEEDMP N#CC1CCC(C[N@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000903871339 584815641 /nfs/dbraw/zinc/81/56/41/584815641.db2.gz SLBIDHFMROBJQE-NRXISQOPSA-N 2 1 247.386 2.144 20 30 BEEDMP C=CCC1([NH2+]C[C@H]([NH3+])CC(F)F)CCCC1 ZINC000903933274 584825235 /nfs/dbraw/zinc/82/52/35/584825235.db2.gz NRHXFXVLDSGBBH-SNVBAGLBSA-N 2 1 232.318 2.447 20 30 BEEDMP C#CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464878 585285106 /nfs/dbraw/zinc/28/51/06/585285106.db2.gz NXEBDDKWKJDGBK-KGLIPLIRSA-N 2 1 234.387 2.252 20 30 BEEDMP C#CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000766927679 585511775 /nfs/dbraw/zinc/51/17/75/585511775.db2.gz XHIIQEBKFPDCLV-ZBFHGGJFSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000766927679 585511776 /nfs/dbraw/zinc/51/17/76/585511776.db2.gz XHIIQEBKFPDCLV-ZBFHGGJFSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000766927679 585511777 /nfs/dbraw/zinc/51/17/77/585511777.db2.gz XHIIQEBKFPDCLV-ZBFHGGJFSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000766920947 585511927 /nfs/dbraw/zinc/51/19/27/585511927.db2.gz SEMMUTGYFSVDEU-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000766920947 585511928 /nfs/dbraw/zinc/51/19/28/585511928.db2.gz SEMMUTGYFSVDEU-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000766920947 585511929 /nfs/dbraw/zinc/51/19/29/585511929.db2.gz SEMMUTGYFSVDEU-UONOGXRCSA-N 2 1 222.376 2.062 20 30 BEEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000767347573 585516976 /nfs/dbraw/zinc/51/69/76/585516976.db2.gz BAARABQXQWUDNE-CYBMUJFWSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000767347573 585516977 /nfs/dbraw/zinc/51/69/77/585516977.db2.gz BAARABQXQWUDNE-CYBMUJFWSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CC[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000767347573 585516978 /nfs/dbraw/zinc/51/69/78/585516978.db2.gz BAARABQXQWUDNE-CYBMUJFWSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(Cl)C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000817903850 586836937 /nfs/dbraw/zinc/83/69/37/586836937.db2.gz MGZTYGTUPZWBTB-SECBINFHSA-N 2 1 239.750 2.252 20 30 BEEDMP CC[N@H+]1CC[C@@H](NCC2(C#N)CCC2)[C@H](C)C1 ZINC000841898939 587982804 /nfs/dbraw/zinc/98/28/04/587982804.db2.gz QRORIJFJLZKRGU-CHWSQXEVSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703549 589513751 /nfs/dbraw/zinc/51/37/51/589513751.db2.gz JSANTGQDHJTBDC-ZDUSSCGKSA-N 2 1 210.365 2.259 20 30 BEEDMP CCCCCCC[N@@H+](C)CCC[NH2+]C ZINC000124740915 590080588 /nfs/dbraw/zinc/08/05/88/590080588.db2.gz SGWJIIYSGMZDRR-UHFFFAOYSA-N 2 1 200.370 2.498 20 30 BEEDMP C#CCCCCCC[NH2+]CCn1cc[nH+]c1C ZINC000876991947 590266293 /nfs/dbraw/zinc/26/62/93/590266293.db2.gz WTRNBPRBAAMIQU-UHFFFAOYSA-N 2 1 233.359 2.365 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167275 590514123 /nfs/dbraw/zinc/51/41/23/590514123.db2.gz RJIFTTGCKZRPAP-QWHCGFSZSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167275 590514124 /nfs/dbraw/zinc/51/41/24/590514124.db2.gz RJIFTTGCKZRPAP-QWHCGFSZSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167275 590514125 /nfs/dbraw/zinc/51/41/25/590514125.db2.gz RJIFTTGCKZRPAP-QWHCGFSZSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000878198175 590523524 /nfs/dbraw/zinc/52/35/24/590523524.db2.gz UKJVBMIHUOVUPY-MELADBBJSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000878198175 590523525 /nfs/dbraw/zinc/52/35/25/590523525.db2.gz UKJVBMIHUOVUPY-MELADBBJSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878198175 590523527 /nfs/dbraw/zinc/52/35/27/590523527.db2.gz UKJVBMIHUOVUPY-MELADBBJSA-N 2 1 222.376 2.367 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878512877 590583444 /nfs/dbraw/zinc/58/34/44/590583444.db2.gz SPLFDLIIMNQMKN-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878512876 590584195 /nfs/dbraw/zinc/58/41/95/590584195.db2.gz SPLFDLIIMNQMKN-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C#CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950144 590895371 /nfs/dbraw/zinc/89/53/71/590895371.db2.gz GZZMCYZFUCYUPL-UHFFFAOYSA-N 2 1 234.387 2.350 20 30 BEEDMP C=C(C)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880471272 591052464 /nfs/dbraw/zinc/05/24/64/591052464.db2.gz RFAMQDOCIVMAFP-UHFFFAOYSA-N 2 1 208.349 2.123 20 30 BEEDMP CC#CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662913 592294538 /nfs/dbraw/zinc/29/45/38/592294538.db2.gz PIJDYMDVVWDGIR-UHFFFAOYSA-N 2 1 231.343 2.229 20 30 BEEDMP C=CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000300055818 592502098 /nfs/dbraw/zinc/50/20/98/592502098.db2.gz KODPLKAMMOTTSL-OLZOCXBDSA-N 2 1 210.365 2.271 20 30 BEEDMP C=CC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000235698517 632569999 /nfs/dbraw/zinc/56/99/99/632569999.db2.gz FDSIJKJUHUKLOU-RYUDHWBXSA-N 2 1 208.349 2.025 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccccc1C ZINC000328223875 633743073 /nfs/dbraw/zinc/74/30/73/633743073.db2.gz AXTNGIKAEUMBOW-UHFFFAOYSA-N 2 1 230.355 2.040 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccccc1C ZINC000328223875 633743078 /nfs/dbraw/zinc/74/30/78/633743078.db2.gz AXTNGIKAEUMBOW-UHFFFAOYSA-N 2 1 230.355 2.040 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1cccc(C)c1 ZINC000328235546 633747602 /nfs/dbraw/zinc/74/76/02/633747602.db2.gz FTOZYQFBIIOUIP-UHFFFAOYSA-N 2 1 230.355 2.040 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1cccc(C)c1 ZINC000328235546 633747606 /nfs/dbraw/zinc/74/76/06/633747606.db2.gz FTOZYQFBIIOUIP-UHFFFAOYSA-N 2 1 230.355 2.040 20 30 BEEDMP C=CCCC[N@H+](CC)C[C@]1(C)CC[NH2+]C1 ZINC000904471564 637425224 /nfs/dbraw/zinc/42/52/24/637425224.db2.gz JBZMHNKILIOVBX-CYBMUJFWSA-N 2 1 210.365 2.274 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]CCCC)CC1 ZINC000906529664 638194928 /nfs/dbraw/zinc/19/49/28/638194928.db2.gz RASOSBIBWHQGCR-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311395 640147533 /nfs/dbraw/zinc/14/75/33/640147533.db2.gz MWCRBLRGFPGSIH-KFWWJZLASA-N 2 1 234.387 2.062 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311395 640147535 /nfs/dbraw/zinc/14/75/35/640147535.db2.gz MWCRBLRGFPGSIH-KFWWJZLASA-N 2 1 234.387 2.062 20 30 BEEDMP C=CC[NH+](CC=C)C[C@@]1(C)CCC[NH2+]C1 ZINC000062861584 641099567 /nfs/dbraw/zinc/09/95/67/641099567.db2.gz PCRREZJXZWYNPQ-ZDUSSCGKSA-N 2 1 208.349 2.050 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000090397759 644590082 /nfs/dbraw/zinc/59/00/82/644590082.db2.gz ZLCUSYAUYFHGBU-ZIAGYGMSSA-N 2 1 222.376 2.110 20 30 BEEDMP C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000925742878 646463693 /nfs/dbraw/zinc/46/36/93/646463693.db2.gz YGLYWEUJBCEJRF-SNVBAGLBSA-N 2 1 249.333 2.475 20 30 BEEDMP C=C1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000925835400 646503291 /nfs/dbraw/zinc/50/32/91/646503291.db2.gz OPQDUPGOPJEEIK-TZMCWYRMSA-N 2 1 222.376 2.320 20 30 BEEDMP CCCCCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000708186784 712183752 /nfs/dbraw/zinc/18/37/52/712183752.db2.gz PTURPYSIXRWEJD-CHWSQXEVSA-N 2 1 212.381 2.483 20 30 BEEDMP C=CC[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000710960894 712268316 /nfs/dbraw/zinc/26/83/16/712268316.db2.gz CAGMCGVFOGBBDP-UHFFFAOYSA-N 2 1 222.357 2.012 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000383029140 710841737 /nfs/dbraw/zinc/84/17/37/710841737.db2.gz CFJJVBSYKYMECZ-UONOGXRCSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000383029140 710841739 /nfs/dbraw/zinc/84/17/39/710841739.db2.gz CFJJVBSYKYMECZ-UONOGXRCSA-N 2 1 236.403 2.356 20 30 BEEDMP C=C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109508 710892825 /nfs/dbraw/zinc/89/28/25/710892825.db2.gz GXQWACHPVDXICR-WDFAYWTNSA-N 2 1 220.360 2.308 20 30 BEEDMP C=C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903109506 710893033 /nfs/dbraw/zinc/89/30/33/710893033.db2.gz GXQWACHPVDXICR-CRMUJIHISA-N 2 1 220.360 2.308 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C/c1ccccc1 ZINC000385676928 711016896 /nfs/dbraw/zinc/01/68/96/711016896.db2.gz ZZFLRWXUYNQJCB-YRNVUSSQSA-N 2 1 242.366 2.245 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C/c1ccccc1 ZINC000385676928 711016900 /nfs/dbraw/zinc/01/69/00/711016900.db2.gz ZZFLRWXUYNQJCB-YRNVUSSQSA-N 2 1 242.366 2.245 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000390529626 711123742 /nfs/dbraw/zinc/12/37/42/711123742.db2.gz IAFPBXQKIYJGES-GXTWGEPZSA-N 2 1 222.376 2.415 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000392769427 711152537 /nfs/dbraw/zinc/15/25/37/711152537.db2.gz BFWALJYUGOPHOY-JKSUJKDBSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000392769427 711152539 /nfs/dbraw/zinc/15/25/39/711152539.db2.gz BFWALJYUGOPHOY-JKSUJKDBSA-N 2 1 248.414 2.500 20 30 BEEDMP C=CC[N@@H+](C[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000131636102 711933279 /nfs/dbraw/zinc/93/32/79/711933279.db2.gz RBQNPSLIABOREX-ZDUSSCGKSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000705837211 712136563 /nfs/dbraw/zinc/13/65/63/712136563.db2.gz BCZXKYJHWASMOZ-FRRDWIJNSA-N 2 1 208.349 2.012 20 30 BEEDMP CC1(C)CC[NH2+]CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000712564700 712446631 /nfs/dbraw/zinc/44/66/31/712446631.db2.gz WMGGQJVXPKMVKP-UHFFFAOYSA-N 2 1 243.354 2.132 20 30 BEEDMP CC1(C)CC[NH2+]CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000712564700 712446632 /nfs/dbraw/zinc/44/66/32/712446632.db2.gz WMGGQJVXPKMVKP-UHFFFAOYSA-N 2 1 243.354 2.132 20 30 BEEDMP CCC1([NH3+])CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000714753551 712497322 /nfs/dbraw/zinc/49/73/22/712497322.db2.gz DWOQVQKTGBHANR-UHFFFAOYSA-N 2 1 243.354 2.262 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000715052074 712505186 /nfs/dbraw/zinc/50/51/86/712505186.db2.gz HGYPRNRLOFNEFP-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCC[C@@H](O)C[NH2+]CCC[N@H+](C)CCCC ZINC001252614911 968871419 /nfs/dbraw/zinc/87/14/19/968871419.db2.gz RNYKNRAAMDTHMC-CQSZACIVSA-N 2 1 242.407 2.025 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000328009265 1166390899 /nfs/dbraw/zinc/39/08/99/1166390899.db2.gz PORFCSJMJNCYEM-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000328009265 1166390904 /nfs/dbraw/zinc/39/09/04/1166390904.db2.gz PORFCSJMJNCYEM-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001254504362 969672335 /nfs/dbraw/zinc/67/23/35/969672335.db2.gz UYRYTZHVQUGQGK-IHRRRGAJSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@H](CC#N)C2)CC1 ZINC001254524599 969712184 /nfs/dbraw/zinc/71/21/84/969712184.db2.gz XLSYPXWXPRRFMO-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001254524599 969712195 /nfs/dbraw/zinc/71/21/95/969712195.db2.gz XLSYPXWXPRRFMO-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001254524599 969712207 /nfs/dbraw/zinc/71/22/07/969712207.db2.gz XLSYPXWXPRRFMO-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CC[NH2+]CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226118722 1166843274 /nfs/dbraw/zinc/84/32/74/1166843274.db2.gz XGHSLNLAAUTWMT-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[NH2+]CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000226118722 1166843282 /nfs/dbraw/zinc/84/32/82/1166843282.db2.gz XGHSLNLAAUTWMT-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC001256957972 971033453 /nfs/dbraw/zinc/03/34/53/971033453.db2.gz PLBLOVIBOBELSD-RUXDESIVSA-N 2 1 235.375 2.143 20 30 BEEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258017166 971557487 /nfs/dbraw/zinc/55/74/87/971557487.db2.gz URTPWYGRHURKKD-HNNXBMFYSA-N 2 1 248.414 2.452 20 30 BEEDMP CCCCCCC[C@H](CC)[N@H+](CC[NH3+])CCO ZINC001172346275 974614785 /nfs/dbraw/zinc/61/47/85/974614785.db2.gz IBBOKJVFJLHQEF-AWEZNQCLSA-N 2 1 244.423 2.379 20 30 BEEDMP CCCCCCC[C@H](CC)[N@@H+](CC[NH3+])CCO ZINC001172346275 974614791 /nfs/dbraw/zinc/61/47/91/974614791.db2.gz IBBOKJVFJLHQEF-AWEZNQCLSA-N 2 1 244.423 2.379 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000692955129 957048563 /nfs/dbraw/zinc/04/85/63/957048563.db2.gz LVOMWQZGTUAVJD-ZDUSSCGKSA-N 2 1 242.794 2.451 20 30 BEEDMP C=CCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379936 972449217 /nfs/dbraw/zinc/44/92/17/972449217.db2.gz PBKUAXUXCMRTMI-UHFFFAOYSA-N 2 1 222.376 2.418 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000383127421 959998360 /nfs/dbraw/zinc/99/83/60/959998360.db2.gz HXEVBOJYVZQWSS-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000383127421 959998372 /nfs/dbraw/zinc/99/83/72/959998372.db2.gz HXEVBOJYVZQWSS-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711193836 962652431 /nfs/dbraw/zinc/65/24/31/962652431.db2.gz MJNAWEJCXYCSEB-QDMKHBRRSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711193836 962652444 /nfs/dbraw/zinc/65/24/44/962652444.db2.gz MJNAWEJCXYCSEB-QDMKHBRRSA-N 2 1 234.387 2.110 20 30 BEEDMP Cc1ccc(CC#N)c(NC2(C)CC[NH2+]CC2)[nH+]1 ZINC001157402614 963596264 /nfs/dbraw/zinc/59/62/64/963596264.db2.gz GAVMZKITTWJAAL-UHFFFAOYSA-N 2 1 244.342 2.010 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](C2CCC([NH+](C)C)CC2)C1 ZINC001168327429 964457100 /nfs/dbraw/zinc/45/71/00/964457100.db2.gz NUDCOTOAWXGPPP-WLYUNCDWSA-N 2 1 234.387 2.204 20 30 BEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC001204946394 967250049 /nfs/dbraw/zinc/25/00/49/967250049.db2.gz PJHSBZMGSAUDLU-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C=C(C)C[N@H+](CC)CC(C)(C)C[NH+](C)C ZINC001207283347 968715014 /nfs/dbraw/zinc/71/50/14/968715014.db2.gz WZKVDMXPYGDHCH-UHFFFAOYSA-N 2 1 212.381 2.472 20 30 BEEDMP C=C(C)c1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001240834954 968743659 /nfs/dbraw/zinc/74/36/59/968743659.db2.gz LEWZLPWBJXEGHL-UHFFFAOYSA-N 2 1 213.284 2.054 20 30 BEEDMP C=CCCCC[N@H+](C)CC1CC[NH2+]CC1 ZINC001207440713 968775335 /nfs/dbraw/zinc/77/53/35/968775335.db2.gz FVTWHUKLHAWPCH-UHFFFAOYSA-N 2 1 210.365 2.274 20 30 BEEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001207483857 968796236 /nfs/dbraw/zinc/79/62/36/968796236.db2.gz IPIANTFETMJDGK-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C#C[C@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185844 969116643 /nfs/dbraw/zinc/11/66/43/969116643.db2.gz IZYRSJBTPBTGAG-HNNXBMFYSA-N 2 1 248.414 2.454 20 30 BEEDMP C=CCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209207322 969393022 /nfs/dbraw/zinc/39/30/22/969393022.db2.gz SSUIWMJINKGGQO-UHFFFAOYSA-N 2 1 219.332 2.098 20 30 BEEDMP C=CCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209207322 969393026 /nfs/dbraw/zinc/39/30/26/969393026.db2.gz SSUIWMJINKGGQO-UHFFFAOYSA-N 2 1 219.332 2.098 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CC[C@H](C#N)CC1)C2 ZINC001169089896 969410466 /nfs/dbraw/zinc/41/04/66/969410466.db2.gz GKYXBVGHXNEUKI-SZQRGFMASA-N 2 1 247.386 2.284 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001169224747 969494521 /nfs/dbraw/zinc/49/45/21/969494521.db2.gz OILHRAOSPLDQAJ-JOCQHMNTSA-N 2 1 235.375 2.143 20 30 BEEDMP C#CC1([NH2+]C2CC[NH+](CC)CC2)CCCCC1 ZINC001169241217 969527339 /nfs/dbraw/zinc/52/73/39/969527339.db2.gz KGGOKENSPOJSJP-UHFFFAOYSA-N 2 1 234.387 2.396 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524598 969708085 /nfs/dbraw/zinc/70/80/85/969708085.db2.gz XLSYPXWXPRRFMO-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524598 969708090 /nfs/dbraw/zinc/70/80/90/969708090.db2.gz XLSYPXWXPRRFMO-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524598 969708098 /nfs/dbraw/zinc/70/80/98/969708098.db2.gz XLSYPXWXPRRFMO-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254675027 969781575 /nfs/dbraw/zinc/78/15/75/969781575.db2.gz DIUQCFBFVAUUEN-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP C#C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001255680658 970454884 /nfs/dbraw/zinc/45/48/84/970454884.db2.gz FDMCOZCIBBQOBH-JZWPEALZSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[NH+](C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001255680658 970454890 /nfs/dbraw/zinc/45/48/90/970454890.db2.gz FDMCOZCIBBQOBH-JZWPEALZSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680658 970454899 /nfs/dbraw/zinc/45/48/99/970454899.db2.gz FDMCOZCIBBQOBH-JZWPEALZSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](C2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001255680658 970454903 /nfs/dbraw/zinc/45/49/03/970454903.db2.gz FDMCOZCIBBQOBH-JZWPEALZSA-N 2 1 246.398 2.347 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4C[NH2+]C[C@@H]43)C[C@H](C1)C2 ZINC001246915582 973457680 /nfs/dbraw/zinc/45/76/80/973457680.db2.gz GRXFGYWXEQLBJP-YSZZHOLASA-N 2 1 232.371 2.025 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4C[NH2+]C[C@@H]43)C[C@H](C1)C2 ZINC001246915582 973457691 /nfs/dbraw/zinc/45/76/91/973457691.db2.gz GRXFGYWXEQLBJP-YSZZHOLASA-N 2 1 232.371 2.025 20 30 BEEDMP C#CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100405 974346252 /nfs/dbraw/zinc/34/62/52/974346252.db2.gz PYUNXZLNEDYHEX-BTTYYORXSA-N 2 1 220.360 2.005 20 30 BEEDMP C[C@@H](CCCC#N)n1cc[nH+]c1CCC[NH3+] ZINC001172492958 974842641 /nfs/dbraw/zinc/84/26/41/974842641.db2.gz VRGUDFRDPHLYBA-NSHDSACASA-N 2 1 220.320 2.029 20 30 BEEDMP C[N@H+]1CC[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173584935 975422399 /nfs/dbraw/zinc/42/23/99/975422399.db2.gz SGIGTQJXPBQIER-IYXRBSQSSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235977287 979234199 /nfs/dbraw/zinc/23/41/99/979234199.db2.gz FZSQFFANZZORDU-QWHCGFSZSA-N 2 1 208.349 2.156 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237380074 979877413 /nfs/dbraw/zinc/87/74/13/979877413.db2.gz FCWPAUYRWPNFTA-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C#Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205281050 979882002 /nfs/dbraw/zinc/88/20/02/979882002.db2.gz OUQYGDPHOMUALE-MRXNPFEDSA-N 2 1 242.366 2.371 20 30 BEEDMP CCCCCCC[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001205664455 981817519 /nfs/dbraw/zinc/81/75/19/981817519.db2.gz NEWSWRFROJDVQC-AWEZNQCLSA-N 2 1 242.407 2.133 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258732511 986074958 /nfs/dbraw/zinc/07/49/58/986074958.db2.gz MONLTMLKSATOIP-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258732511 986074975 /nfs/dbraw/zinc/07/49/75/986074975.db2.gz MONLTMLKSATOIP-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258732511 986074987 /nfs/dbraw/zinc/07/49/87/986074987.db2.gz MONLTMLKSATOIP-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP N#CCC1(C[N@H+]2C[C@H]3CCCC[C@]3(C[NH3+])C2)CC1 ZINC001580047528 986479913 /nfs/dbraw/zinc/47/99/13/986479913.db2.gz JKUOUIZVLCPXSE-HIFRSBDPSA-N 2 1 247.386 2.131 20 30 BEEDMP C=CCCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC000379778749 986681057 /nfs/dbraw/zinc/68/10/57/986681057.db2.gz BHGLFGBVHXWYAA-ZDUSSCGKSA-N 2 1 208.349 2.123 20 30 BEEDMP CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[NH2+]1 ZINC001245980869 987259039 /nfs/dbraw/zinc/25/90/39/987259039.db2.gz JFVFZCJAPAGLRX-KGLIPLIRSA-N 2 1 242.407 2.049 20 30 BEEDMP CCCCCCC[N@@H+](CC)C[C@]1(O)CC[NH2+]C1 ZINC001246043488 987341314 /nfs/dbraw/zinc/34/13/14/987341314.db2.gz LJFNRENIACMYQM-AWEZNQCLSA-N 2 1 242.407 2.003 20 30 BEEDMP CCCCCCC[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1O ZINC001246112152 987446816 /nfs/dbraw/zinc/44/68/16/987446816.db2.gz CYNSVVYRHZHPII-MGPQQGTHSA-N 2 1 242.407 2.048 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473894788 987608857 /nfs/dbraw/zinc/60/88/57/987608857.db2.gz QSBGGXWYTMCSPF-ZDUSSCGKSA-N 2 1 245.370 2.401 20 30 BEEDMP CC[C@@H](CC#N)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246337708 987745471 /nfs/dbraw/zinc/74/54/71/987745471.db2.gz BPERYWHGUGLFNR-XQQFMLRXSA-N 2 1 221.348 2.072 20 30 BEEDMP C[C@@H]1CC[C@H]([NH2+]CCCCCCS)C[NH2+]1 ZINC001246461335 987819174 /nfs/dbraw/zinc/81/91/74/987819174.db2.gz APHNAECZIWAEHT-NEPJUHHUSA-N 2 1 230.421 2.207 20 30 BEEDMP C[C@@H]1CC[C@@H]([NH2+]CCCCCCS)C[NH2+]1 ZINC001246461338 987819772 /nfs/dbraw/zinc/81/97/72/987819772.db2.gz APHNAECZIWAEHT-VXGBXAGGSA-N 2 1 230.421 2.207 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246561035 987992003 /nfs/dbraw/zinc/99/20/03/987992003.db2.gz HXDXMHXCRVQDQN-HZSPNIEDSA-N 2 1 237.391 2.376 20 30 BEEDMP N#CC1CCC([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246592539 988178356 /nfs/dbraw/zinc/17/83/56/988178356.db2.gz KDWVESRJYYVHDX-ROKHWSDSSA-N 2 1 235.375 2.130 20 30 BEEDMP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC001325724367 989243630 /nfs/dbraw/zinc/24/36/30/989243630.db2.gz WRDZSMJVXHIZJW-MNOVXSKESA-N 2 1 249.333 2.346 20 30 BEEDMP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CCC#N ZINC001258906221 991894256 /nfs/dbraw/zinc/89/42/56/991894256.db2.gz AGXPIBJCXMOZAL-ZDUSSCGKSA-N 2 1 225.380 2.342 20 30 BEEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001321181725 992477418 /nfs/dbraw/zinc/47/74/18/992477418.db2.gz NSEYDRAVLBFWPE-ZOBORPQBSA-N 2 1 235.375 2.141 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001321355334 992523215 /nfs/dbraw/zinc/52/32/15/992523215.db2.gz OMLMGVVZLHRLKW-MGPQQGTHSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCCC[NH2+]C1 ZINC001574900219 992941214 /nfs/dbraw/zinc/94/12/14/992941214.db2.gz TYOFHSILNDDRLJ-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000379938950 993299137 /nfs/dbraw/zinc/29/91/37/993299137.db2.gz YKBQKNULCNPNNS-NSHDSACASA-N 2 1 207.321 2.136 20 30 BEEDMP C=CCCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424294334 398181316 /nfs/dbraw/zinc/18/13/16/398181316.db2.gz PZUGMOODUYXOKL-CYBMUJFWSA-N 2 1 222.376 2.417 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)[C@H](C)C1 ZINC000430750446 398230131 /nfs/dbraw/zinc/23/01/31/398230131.db2.gz NTVXKCIGRKTWHV-CHWSQXEVSA-N 2 1 235.375 2.000 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)C[C@@H](C)CCC#N)CC1 ZINC000602436493 349523021 /nfs/dbraw/zinc/52/30/21/349523021.db2.gz OUHRMFPGQDQAFV-ZDUSSCGKSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)C[C@@H](C)CCC#N)CC1 ZINC000602436493 349523022 /nfs/dbraw/zinc/52/30/22/349523022.db2.gz OUHRMFPGQDQAFV-ZDUSSCGKSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602499187 349559800 /nfs/dbraw/zinc/55/98/00/349559800.db2.gz OILHRAOSPLDQAJ-UHFFFAOYSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CC1([NH+](C)C)CCCC1 ZINC000602502223 349561301 /nfs/dbraw/zinc/56/13/01/349561301.db2.gz KIZBFWFBYNFMBM-ZDUSSCGKSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000602513743 349585861 /nfs/dbraw/zinc/58/58/61/349585861.db2.gz HZUBSLOPYBZKFL-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000602513743 349585863 /nfs/dbraw/zinc/58/58/63/349585863.db2.gz HZUBSLOPYBZKFL-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[NH+](CC)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602548824 349591355 /nfs/dbraw/zinc/59/13/55/349591355.db2.gz FUIHUNMHTYKXRA-CHWSQXEVSA-N 2 1 225.380 2.246 20 30 BEEDMP C[C@@H](CCC#N)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000602650606 349659564 /nfs/dbraw/zinc/65/95/64/349659564.db2.gz ZQBUIFDOZVNHIZ-AWEZNQCLSA-N 2 1 237.391 2.344 20 30 BEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602658471 349663206 /nfs/dbraw/zinc/66/32/06/349663206.db2.gz YLLACFUJPYEEGB-SHARSMKWSA-N 2 1 249.402 2.389 20 30 BEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602658436 349663590 /nfs/dbraw/zinc/66/35/90/349663590.db2.gz XNFRCENUGVUELM-KGLIPLIRSA-N 2 1 237.391 2.246 20 30 BEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602658438 349663643 /nfs/dbraw/zinc/66/36/43/349663643.db2.gz XNFRCENUGVUELM-ZIAGYGMSSA-N 2 1 237.391 2.246 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000602687704 349678350 /nfs/dbraw/zinc/67/83/50/349678350.db2.gz LKZDQHOFGTXTPG-CYBMUJFWSA-N 2 1 237.391 2.390 20 30 BEEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602666292 349684986 /nfs/dbraw/zinc/68/49/86/349684986.db2.gz GQRMCLHKLYYQCS-IYXRBSQSSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602666292 349684990 /nfs/dbraw/zinc/68/49/90/349684990.db2.gz GQRMCLHKLYYQCS-IYXRBSQSSA-N 2 1 237.391 2.387 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000602669159 349685735 /nfs/dbraw/zinc/68/57/35/349685735.db2.gz YYVLVXYBYGYJBV-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000602669159 349685739 /nfs/dbraw/zinc/68/57/39/349685739.db2.gz YYVLVXYBYGYJBV-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000602669159 349685744 /nfs/dbraw/zinc/68/57/44/349685744.db2.gz YYVLVXYBYGYJBV-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](C)CCC#N ZINC000602661887 349682146 /nfs/dbraw/zinc/68/21/46/349682146.db2.gz HXOBJICARCWLIS-CYBMUJFWSA-N 2 1 248.374 2.453 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](C)CCC#N ZINC000602661887 349682148 /nfs/dbraw/zinc/68/21/48/349682148.db2.gz HXOBJICARCWLIS-CYBMUJFWSA-N 2 1 248.374 2.453 20 30 BEEDMP CCC[NH+]1CCC([N@H+](C)CC2(CC#N)CC2)CC1 ZINC000602778470 349744945 /nfs/dbraw/zinc/74/49/45/349744945.db2.gz LSUGMAVBBWYZAM-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP CCC[NH+]1CCC([N@@H+](C)CC2(CC#N)CC2)CC1 ZINC000602778470 349744949 /nfs/dbraw/zinc/74/49/49/349744949.db2.gz LSUGMAVBBWYZAM-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP CC[N@@H+]1CC[C@H]([NH+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745954 /nfs/dbraw/zinc/74/59/54/349745954.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745957 /nfs/dbraw/zinc/74/59/57/349745957.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745959 /nfs/dbraw/zinc/74/59/59/349745959.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745961 /nfs/dbraw/zinc/74/59/61/349745961.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 2 1 249.402 2.485 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336627249 136264560 /nfs/dbraw/zinc/26/45/60/136264560.db2.gz ZPKZPCLVHKEOGP-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336627249 136264561 /nfs/dbraw/zinc/26/45/61/136264561.db2.gz ZPKZPCLVHKEOGP-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[NH2+]CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000053385733 1172028080 /nfs/dbraw/zinc/02/80/80/1172028080.db2.gz XGHSLNLAAUTWMT-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[NH2+]CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000053385733 1172028092 /nfs/dbraw/zinc/02/80/92/1172028092.db2.gz XGHSLNLAAUTWMT-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP CCC1([NH+](C)C)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000602966863 349828003 /nfs/dbraw/zinc/82/80/03/349828003.db2.gz UERDGQGIIGMLFV-KBPBESRZSA-N 2 1 249.402 2.485 20 30 BEEDMP C=CC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336710273 346960572 /nfs/dbraw/zinc/96/05/72/346960572.db2.gz TVZZUNOKMRXEQL-LLVKDONJSA-N 2 1 208.349 2.167 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000625703008 344047064 /nfs/dbraw/zinc/04/70/64/344047064.db2.gz PKYBPNZWYPJQLN-CYBMUJFWSA-N 2 1 233.359 2.251 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000625703008 344047067 /nfs/dbraw/zinc/04/70/67/344047067.db2.gz PKYBPNZWYPJQLN-CYBMUJFWSA-N 2 1 233.359 2.251 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000625703009 344047343 /nfs/dbraw/zinc/04/73/43/344047343.db2.gz PKYBPNZWYPJQLN-ZDUSSCGKSA-N 2 1 233.359 2.251 20 30 BEEDMP C=CC[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000625703009 344047346 /nfs/dbraw/zinc/04/73/46/344047346.db2.gz PKYBPNZWYPJQLN-ZDUSSCGKSA-N 2 1 233.359 2.251 20 30 BEEDMP C=CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515566 344540001 /nfs/dbraw/zinc/54/00/01/344540001.db2.gz JLVITEWGVTZIQJ-UHFFFAOYSA-N 2 1 244.382 2.469 20 30 BEEDMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](CC#N)C1 ZINC000260227245 344738543 /nfs/dbraw/zinc/73/85/43/344738543.db2.gz WGMOWCAFQJITSU-LSDHHAIUSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CC#N)C1 ZINC000260227245 344738545 /nfs/dbraw/zinc/73/85/45/344738545.db2.gz WGMOWCAFQJITSU-LSDHHAIUSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000260227245 344738552 /nfs/dbraw/zinc/73/85/52/344738552.db2.gz WGMOWCAFQJITSU-LSDHHAIUSA-N 2 1 249.402 2.486 20 30 BEEDMP C=CCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000279234042 166241912 /nfs/dbraw/zinc/24/19/12/166241912.db2.gz ZBXOAXWRBCDUIL-UHFFFAOYSA-N 2 1 219.332 2.203 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C)C)CC1 ZINC000120045996 347322412 /nfs/dbraw/zinc/32/24/12/347322412.db2.gz OVZYJCSWXOVXKM-UHFFFAOYSA-N 2 1 210.365 2.273 20 30 BEEDMP C[C@H]([NH3+])C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000591581369 347677507 /nfs/dbraw/zinc/67/75/07/347677507.db2.gz RWKDMQGJZGRBCI-NHYWBVRUSA-N 2 1 243.354 2.263 20 30 BEEDMP C[C@@H]([NH3+])C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000591581368 347678066 /nfs/dbraw/zinc/67/80/66/347678066.db2.gz RWKDMQGJZGRBCI-IAQYHMDHSA-N 2 1 243.354 2.263 20 30 BEEDMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000592986250 347836723 /nfs/dbraw/zinc/83/67/23/347836723.db2.gz XXPBQZSULPDVBJ-CQSZACIVSA-N 2 1 231.343 2.021 20 30 BEEDMP C=CCCSCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595059147 348183776 /nfs/dbraw/zinc/18/37/76/348183776.db2.gz LTCBIEMJAYENCF-OLZOCXBDSA-N 2 1 242.432 2.368 20 30 BEEDMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596654249 348607883 /nfs/dbraw/zinc/60/78/83/348607883.db2.gz ZGYOFKUGSJUBKK-KGLIPLIRSA-N 2 1 249.402 2.438 20 30 BEEDMP C=C(C)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000336642807 350413149 /nfs/dbraw/zinc/41/31/49/350413149.db2.gz AYDKKNIGDKWELG-UHFFFAOYSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336649242 350417984 /nfs/dbraw/zinc/41/79/84/350417984.db2.gz QQEPHNNDDHHCGW-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000336649242 350417987 /nfs/dbraw/zinc/41/79/87/350417987.db2.gz QQEPHNNDDHHCGW-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000563968947 323335634 /nfs/dbraw/zinc/33/56/34/323335634.db2.gz HVCARDXWOCKJDM-LBPRGKRZSA-N 2 1 219.332 2.176 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](C)C#N ZINC000336706577 350456018 /nfs/dbraw/zinc/45/60/18/350456018.db2.gz GHKUENAPIACMGX-LBPRGKRZSA-N 2 1 234.347 2.063 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](C)C#N ZINC000336706577 350456020 /nfs/dbraw/zinc/45/60/20/350456020.db2.gz GHKUENAPIACMGX-LBPRGKRZSA-N 2 1 234.347 2.063 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538726 362958261 /nfs/dbraw/zinc/95/82/61/362958261.db2.gz RVAANLUTKZWEFQ-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCOCCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623569746 362998556 /nfs/dbraw/zinc/99/85/56/362998556.db2.gz VQLUUESGDKFCDJ-ZDUSSCGKSA-N 2 1 240.391 2.042 20 30 BEEDMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CCC#N ZINC000618888365 352166723 /nfs/dbraw/zinc/16/67/23/352166723.db2.gz QXZILFDOYJBVDL-ZNMIVQPWSA-N 2 1 249.402 2.485 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000411315655 191177415 /nfs/dbraw/zinc/17/74/15/191177415.db2.gz UTEHAJGNZWKEJF-LSDHHAIUSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000411315655 191177416 /nfs/dbraw/zinc/17/74/16/191177416.db2.gz UTEHAJGNZWKEJF-LSDHHAIUSA-N 2 1 249.402 2.486 20 30 BEEDMP C=CC[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336744937 352701806 /nfs/dbraw/zinc/70/18/06/352701806.db2.gz QIIBACLKHLCUJU-JTQLQIEISA-N 2 1 239.388 2.259 20 30 BEEDMP C=C(CC)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334407617 353089027 /nfs/dbraw/zinc/08/90/27/353089027.db2.gz HLSPTRXGGITZRZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000334407617 353089029 /nfs/dbraw/zinc/08/90/29/353089029.db2.gz HLSPTRXGGITZRZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000334407617 353089032 /nfs/dbraw/zinc/08/90/32/353089032.db2.gz HLSPTRXGGITZRZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334407617 353089034 /nfs/dbraw/zinc/08/90/34/353089034.db2.gz HLSPTRXGGITZRZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334407617 353089037 /nfs/dbraw/zinc/08/90/37/353089037.db2.gz HLSPTRXGGITZRZ-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086253166 188082227 /nfs/dbraw/zinc/08/22/27/188082227.db2.gz MLFJMCPYONIKKQ-UHFFFAOYSA-N 2 1 233.359 2.145 20 30 BEEDMP C=CCSCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252729605 353302700 /nfs/dbraw/zinc/30/27/00/353302700.db2.gz HKOXDDPGHANIDV-STQMWFEESA-N 2 1 240.416 2.122 20 30 BEEDMP C=CCCOCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000231800785 353662268 /nfs/dbraw/zinc/66/22/68/353662268.db2.gz NYZJLYOBGUDNBG-HUUCEWRRSA-N 2 1 246.354 2.314 20 30 BEEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000449734063 202011358 /nfs/dbraw/zinc/01/13/58/202011358.db2.gz LTHLXFBJRGBSDF-OLZOCXBDSA-N 2 1 210.365 2.273 20 30 BEEDMP C=C(CC)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449736907 202012636 /nfs/dbraw/zinc/01/26/36/202012636.db2.gz XPPKMMRAQQSLII-UHFFFAOYSA-N 2 1 219.332 2.203 20 30 BEEDMP CC(C)[NH2+]C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334615561 354301430 /nfs/dbraw/zinc/30/14/30/354301430.db2.gz KXGYTTWHOUCXBS-GXTWGEPZSA-N 2 1 235.375 2.141 20 30 BEEDMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(C)(C)C#N)C2)C1 ZINC000334649394 354440920 /nfs/dbraw/zinc/44/09/20/354440920.db2.gz ALIJAVNGIJRSJR-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000334649394 354440922 /nfs/dbraw/zinc/44/09/22/354440922.db2.gz ALIJAVNGIJRSJR-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(C)(C)C#N)C2)C1 ZINC000334649394 354440923 /nfs/dbraw/zinc/44/09/23/354440923.db2.gz ALIJAVNGIJRSJR-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(C)(C)C#N)C2)C1 ZINC000334649395 354441029 /nfs/dbraw/zinc/44/10/29/354441029.db2.gz ALIJAVNGIJRSJR-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(C)(C)C#N)C2)C1 ZINC000334649395 354441031 /nfs/dbraw/zinc/44/10/31/354441031.db2.gz ALIJAVNGIJRSJR-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(C)(C)C#N)C2)C1 ZINC000334649395 354441034 /nfs/dbraw/zinc/44/10/34/354441034.db2.gz ALIJAVNGIJRSJR-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351224326 355964259 /nfs/dbraw/zinc/96/42/59/355964259.db2.gz KDAQAFSNGHCOBC-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351224326 355964261 /nfs/dbraw/zinc/96/42/61/355964261.db2.gz KDAQAFSNGHCOBC-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351224326 355964263 /nfs/dbraw/zinc/96/42/63/355964263.db2.gz KDAQAFSNGHCOBC-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000351224326 355964265 /nfs/dbraw/zinc/96/42/65/355964265.db2.gz KDAQAFSNGHCOBC-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000361218057 134203982 /nfs/dbraw/zinc/20/39/82/134203982.db2.gz VSIPQJWJIKGKKS-OLZOCXBDSA-N 2 1 240.391 2.040 20 30 BEEDMP C#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000371204013 134228182 /nfs/dbraw/zinc/22/81/82/134228182.db2.gz FGKOTAHVRIGVLG-MRXNPFEDSA-N 2 1 248.414 2.454 20 30 BEEDMP Cc1nccn1CCCC[N@H+](C)[C@H](C)CC#N ZINC000120522202 134229931 /nfs/dbraw/zinc/22/99/31/134229931.db2.gz LOLTZHYQFYLFTF-GFCCVEGCSA-N 2 1 234.347 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)CC#N ZINC000120522202 134229933 /nfs/dbraw/zinc/22/99/33/134229933.db2.gz LOLTZHYQFYLFTF-GFCCVEGCSA-N 2 1 234.347 2.206 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000583734113 357930994 /nfs/dbraw/zinc/93/09/94/357930994.db2.gz WKLIOAXZAFSTAD-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860052 325318409 /nfs/dbraw/zinc/31/84/09/325318409.db2.gz FYOSNHACMWIYGM-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860052 325318411 /nfs/dbraw/zinc/31/84/11/325318411.db2.gz FYOSNHACMWIYGM-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860052 325318412 /nfs/dbraw/zinc/31/84/12/325318412.db2.gz FYOSNHACMWIYGM-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423357526 192730443 /nfs/dbraw/zinc/73/04/43/192730443.db2.gz IFANLGGGRRHUIM-ZDEQEGDKSA-N 2 1 210.365 2.175 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396360 361044546 /nfs/dbraw/zinc/04/45/46/361044546.db2.gz LCKTVGGSEOIUFQ-AGIUHOORSA-N 2 1 210.365 2.461 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429693143 201125408 /nfs/dbraw/zinc/12/54/08/201125408.db2.gz YQIUSOJAEWBWSP-KKUMJFAQSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429693143 201125411 /nfs/dbraw/zinc/12/54/11/201125411.db2.gz YQIUSOJAEWBWSP-KKUMJFAQSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429693143 201125414 /nfs/dbraw/zinc/12/54/14/201125414.db2.gz YQIUSOJAEWBWSP-KKUMJFAQSA-N 2 1 249.402 2.342 20 30 BEEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000429688646 201126299 /nfs/dbraw/zinc/12/62/99/201126299.db2.gz CRZPVQYIVJSEDE-QLFBSQMISA-N 2 1 247.386 2.096 20 30 BEEDMP C=CCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152385416 201198609 /nfs/dbraw/zinc/19/86/09/201198609.db2.gz BUUNKQVEBWWCCM-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152385416 201198610 /nfs/dbraw/zinc/19/86/10/201198610.db2.gz BUUNKQVEBWWCCM-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C[N@@H+](CCCC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000453416439 202768601 /nfs/dbraw/zinc/76/86/01/202768601.db2.gz XNZQWYPOYOGJPR-QWHCGFSZSA-N 2 1 235.375 2.143 20 30 BEEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000574324162 365037519 /nfs/dbraw/zinc/03/75/19/365037519.db2.gz HDFWANIVLHUQSO-MGPQQGTHSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000574324162 365037520 /nfs/dbraw/zinc/03/75/20/365037520.db2.gz HDFWANIVLHUQSO-MGPQQGTHSA-N 2 1 237.391 2.389 20 30 BEEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000459732130 203344600 /nfs/dbraw/zinc/34/46/00/203344600.db2.gz OQUREXMXHZVFTH-CHWSQXEVSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000459798787 203372567 /nfs/dbraw/zinc/37/25/67/203372567.db2.gz XXSNZBAVGHFUOL-HZSPNIEDSA-N 2 1 235.375 2.000 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1C#N ZINC000600708683 369558066 /nfs/dbraw/zinc/55/80/66/369558066.db2.gz DZSBBWYQXDLSDN-OAHLLOKOSA-N 2 1 243.354 2.037 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1C#N ZINC000600708683 369558069 /nfs/dbraw/zinc/55/80/69/369558069.db2.gz DZSBBWYQXDLSDN-OAHLLOKOSA-N 2 1 243.354 2.037 20 30 BEEDMP Cc1ccc(C[NH2+][C@](C)(C[NH3+])C(C)C)cc1C#N ZINC000600699447 369558113 /nfs/dbraw/zinc/55/81/13/369558113.db2.gz AMTNFQPDXLIGDH-OAHLLOKOSA-N 2 1 245.370 2.330 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600699500 369558336 /nfs/dbraw/zinc/55/83/36/369558336.db2.gz ASSCMXPBGXCVQY-SWLSCSKDSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600699500 369558339 /nfs/dbraw/zinc/55/83/39/369558339.db2.gz ASSCMXPBGXCVQY-SWLSCSKDSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C#N ZINC000600699499 369558374 /nfs/dbraw/zinc/55/83/74/369558374.db2.gz ASSCMXPBGXCVQY-IUODEOHRSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1C#N ZINC000600699499 369558377 /nfs/dbraw/zinc/55/83/77/369558377.db2.gz ASSCMXPBGXCVQY-IUODEOHRSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C#N ZINC000600709659 369559808 /nfs/dbraw/zinc/55/98/08/369559808.db2.gz PHRBBDGULVPNTR-GXTWGEPZSA-N 2 1 243.354 2.036 20 30 BEEDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000133425677 372046950 /nfs/dbraw/zinc/04/69/50/372046950.db2.gz UOULHMVGGVCUKK-HNNXBMFYSA-N 2 1 245.370 2.363 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886427 372682647 /nfs/dbraw/zinc/68/26/47/372682647.db2.gz HBCAXGBUHCIDRL-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886427 372682654 /nfs/dbraw/zinc/68/26/54/372682654.db2.gz HBCAXGBUHCIDRL-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000375843580 533033945 /nfs/dbraw/zinc/03/39/45/533033945.db2.gz YDWFWTQKYMQPBM-KFWWJZLASA-N 2 1 234.387 2.252 20 30 BEEDMP C[NH+](C)C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174861561 384372346 /nfs/dbraw/zinc/37/23/46/384372346.db2.gz BTMRGMIYKDAKGH-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C#CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000490923058 384495075 /nfs/dbraw/zinc/49/50/75/384495075.db2.gz IOUZFNWMCZAPBP-UHFFFAOYSA-N 2 1 248.414 2.454 20 30 BEEDMP CC(C)CC[N@H+](CCC#N)CCn1ccnc1 ZINC000159867999 384507943 /nfs/dbraw/zinc/50/79/43/384507943.db2.gz NRWJXLWEBVRJTB-UHFFFAOYSA-N 2 1 234.347 2.145 20 30 BEEDMP C=C(C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000147651948 384530794 /nfs/dbraw/zinc/53/07/94/384530794.db2.gz LPMVDQLSLTWHSQ-UHFFFAOYSA-N 2 1 230.355 2.384 20 30 BEEDMP C#C[C@@H](C)[NH+](C)CCC(C)CC[N@@H+](C)[C@H](C)C#C ZINC000491806351 384784254 /nfs/dbraw/zinc/78/42/54/384784254.db2.gz QWIXQNFBVUSULC-HZPDHXFCSA-N 2 1 248.414 2.310 20 30 BEEDMP C#CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000157188750 385100102 /nfs/dbraw/zinc/10/01/02/385100102.db2.gz XRHVZKGCYCWJFR-LBPRGKRZSA-N 2 1 239.322 2.465 20 30 BEEDMP C=CCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000308786675 385101535 /nfs/dbraw/zinc/10/15/35/385101535.db2.gz GLWDKHHTUHFFER-RWMBFGLXSA-N 2 1 210.365 2.271 20 30 BEEDMP C=CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157414294 385171112 /nfs/dbraw/zinc/17/11/12/385171112.db2.gz AGDFCDHOJBSZIQ-ZDUSSCGKSA-N 2 1 208.349 2.123 20 30 BEEDMP C=CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157414294 385171119 /nfs/dbraw/zinc/17/11/19/385171119.db2.gz AGDFCDHOJBSZIQ-ZDUSSCGKSA-N 2 1 208.349 2.123 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000222077120 385740426 /nfs/dbraw/zinc/74/04/26/385740426.db2.gz UGVSMBACQMQWFZ-AVGNSLFASA-N 2 1 210.365 2.271 20 30 BEEDMP N#CC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000602508583 385802811 /nfs/dbraw/zinc/80/28/11/385802811.db2.gz CKLFSZOGEMYCEF-ROKHWSDSSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CCOc1ccc(C[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000414975842 386020320 /nfs/dbraw/zinc/02/03/20/386020320.db2.gz HFMOKSLUYVQOII-ZDUSSCGKSA-N 2 1 234.343 2.078 20 30 BEEDMP C=CCOc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000347034091 386223656 /nfs/dbraw/zinc/22/36/56/386223656.db2.gz BWTRKQGUXOEXAV-CQSZACIVSA-N 2 1 246.354 2.032 20 30 BEEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414752685 386383927 /nfs/dbraw/zinc/38/39/27/386383927.db2.gz CIMQSISUUGPSOO-HZSPNIEDSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCOc1ccccc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000414767686 386440803 /nfs/dbraw/zinc/44/08/03/386440803.db2.gz GQNDAJCVOPMGKX-UHFFFAOYSA-N 2 1 246.354 2.173 20 30 BEEDMP C=CCOc1ccccc1C[N@H+](C)C1CC([NH3+])C1 ZINC000414767686 386440812 /nfs/dbraw/zinc/44/08/12/386440812.db2.gz GQNDAJCVOPMGKX-UHFFFAOYSA-N 2 1 246.354 2.173 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453307731 386390019 /nfs/dbraw/zinc/39/00/19/386390019.db2.gz CASQIBGKNLPKKM-MJBXVCDLSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1 ZINC000415013031 386495086 /nfs/dbraw/zinc/49/50/86/386495086.db2.gz ULQKVCSYDDLBOR-RYUDHWBXSA-N 2 1 234.343 2.077 20 30 BEEDMP N#C[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000185710918 386632197 /nfs/dbraw/zinc/63/21/97/386632197.db2.gz QIKNTSCQQHRWOM-JSGCOSHPSA-N 2 1 247.386 2.285 20 30 BEEDMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335538168 386742524 /nfs/dbraw/zinc/74/25/24/386742524.db2.gz IZVUYZNWZTUNBZ-NELGMTEASA-N 2 1 235.375 2.189 20 30 BEEDMP C=CC[NH+](CC=C)CC[C@@H]1CCC[N@H+]1C ZINC000125197291 386773490 /nfs/dbraw/zinc/77/34/90/386773490.db2.gz PRWMIFWXWWEFGZ-ZDUSSCGKSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[NH+](CC=C)CC[C@@H]1CCC[N@@H+]1C ZINC000125197291 386773496 /nfs/dbraw/zinc/77/34/96/386773496.db2.gz PRWMIFWXWWEFGZ-ZDUSSCGKSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[NH+](CC=C)CC[C@H]1CCC[N@H+]1C ZINC000125197062 386773810 /nfs/dbraw/zinc/77/38/10/386773810.db2.gz PRWMIFWXWWEFGZ-CYBMUJFWSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[NH+](CC=C)CC[C@H]1CCC[N@@H+]1C ZINC000125197062 386773814 /nfs/dbraw/zinc/77/38/14/386773814.db2.gz PRWMIFWXWWEFGZ-CYBMUJFWSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423355449 387205863 /nfs/dbraw/zinc/20/58/63/387205863.db2.gz FNGVNAAPKFGTKD-AVGNSLFASA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[C@@H](C)[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422981702 387793107 /nfs/dbraw/zinc/79/31/07/387793107.db2.gz PAGBFNKMGBARSF-NXEZZACHSA-N 2 1 205.305 2.109 20 30 BEEDMP CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000442714873 387829044 /nfs/dbraw/zinc/82/90/44/387829044.db2.gz LVIWWDGXTQISRS-MELADBBJSA-N 2 1 235.375 2.143 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000328065963 387845935 /nfs/dbraw/zinc/84/59/35/387845935.db2.gz COOTUUOUBHKODL-KGLIPLIRSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000328065963 387845937 /nfs/dbraw/zinc/84/59/37/387845937.db2.gz COOTUUOUBHKODL-KGLIPLIRSA-N 2 1 222.376 2.110 20 30 BEEDMP C=C(C[NH2+][C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423033471 387849832 /nfs/dbraw/zinc/84/98/32/387849832.db2.gz WWZUFFJRBGYTDH-ZIAGYGMSSA-N 2 1 216.328 2.169 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423097769 387887128 /nfs/dbraw/zinc/88/71/28/387887128.db2.gz BJHINNLQKLYNPJ-GJZGRUSLSA-N 2 1 246.354 2.221 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423132020 387909344 /nfs/dbraw/zinc/90/93/44/387909344.db2.gz IROZAAFMCHMUQO-RYUDHWBXSA-N 2 1 210.365 2.176 20 30 BEEDMP C=C(C)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423158863 387939722 /nfs/dbraw/zinc/93/97/22/387939722.db2.gz XFMHGDCORDUZCS-SNVBAGLBSA-N 2 1 205.305 2.111 20 30 BEEDMP CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCC[NH2+]1 ZINC000423172621 387960087 /nfs/dbraw/zinc/96/00/87/387960087.db2.gz UJXORNNBMQAKKH-NEPJUHHUSA-N 2 1 223.364 2.046 20 30 BEEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423266467 388045107 /nfs/dbraw/zinc/04/51/07/388045107.db2.gz SCPGFIQKMIFAFK-JHJVBQTASA-N 2 1 223.364 2.032 20 30 BEEDMP C=CCC[C@@H](CCC)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423268429 388047130 /nfs/dbraw/zinc/04/71/30/388047130.db2.gz DRCMCBNSPTVFOP-CHWSQXEVSA-N 2 1 210.365 2.448 20 30 BEEDMP C#CC[N@@H+](CC)CCCc1ccc(C)nc1 ZINC000490717912 388249807 /nfs/dbraw/zinc/24/98/07/388249807.db2.gz FVYZWDYVQUFTPZ-UHFFFAOYSA-N 2 1 216.328 2.278 20 30 BEEDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000037213738 388237883 /nfs/dbraw/zinc/23/78/83/388237883.db2.gz RDFPJLYNVOOESP-GFCCVEGCSA-N 2 1 231.343 2.161 20 30 BEEDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000037267154 388243171 /nfs/dbraw/zinc/24/31/71/388243171.db2.gz ZCJQZCWMSCOCLQ-GFCCVEGCSA-N 2 1 243.354 2.303 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000491621862 388305391 /nfs/dbraw/zinc/30/53/91/388305391.db2.gz GZFUISUACPHJOT-HUUCEWRRSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000491621862 388305392 /nfs/dbraw/zinc/30/53/92/388305392.db2.gz GZFUISUACPHJOT-HUUCEWRRSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000491736869 388316345 /nfs/dbraw/zinc/31/63/45/388316345.db2.gz VIDUJWQQPNLVOT-UHFFFAOYSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC2(CC2)CC1 ZINC000491736869 388316346 /nfs/dbraw/zinc/31/63/46/388316346.db2.gz VIDUJWQQPNLVOT-UHFFFAOYSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC1(C)C ZINC000328319359 388603200 /nfs/dbraw/zinc/60/32/00/388603200.db2.gz YSZJIBOIHTXJRH-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC1(C)C ZINC000328319359 388603202 /nfs/dbraw/zinc/60/32/02/388603202.db2.gz YSZJIBOIHTXJRH-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000530213649 388629538 /nfs/dbraw/zinc/62/95/38/388629538.db2.gz ULVYVXYIZCPJSY-RYUDHWBXSA-N 2 1 210.365 2.176 20 30 BEEDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000019958432 388753108 /nfs/dbraw/zinc/75/31/08/388753108.db2.gz LCSDAUYNIGOBPK-GFCCVEGCSA-N 2 1 231.343 2.161 20 30 BEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423279453 388689171 /nfs/dbraw/zinc/68/91/71/388689171.db2.gz RYALCSGGYZSOID-HZMBPMFUSA-N 2 1 249.333 2.331 20 30 BEEDMP C[C@@H](C[NH3+])[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423363820 388690899 /nfs/dbraw/zinc/69/08/99/388690899.db2.gz BWRLXCCTHSBERQ-XHDPSFHLSA-N 2 1 243.354 2.263 20 30 BEEDMP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423455843 388692587 /nfs/dbraw/zinc/69/25/87/388692587.db2.gz DAHVGSQIZJGWEA-KBPBESRZSA-N 2 1 231.343 2.336 20 30 BEEDMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000336229138 134139914 /nfs/dbraw/zinc/13/99/14/134139914.db2.gz YCCPDQKFTQLZPV-UHFFFAOYSA-N 2 1 247.386 2.310 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]2CCC[C@H]21 ZINC000367616967 134215933 /nfs/dbraw/zinc/21/59/33/134215933.db2.gz MRZMJCWPHQEBAF-MELADBBJSA-N 2 1 247.386 2.143 20 30 BEEDMP CC#CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000248389490 135001622 /nfs/dbraw/zinc/00/16/22/135001622.db2.gz GTGKCNJQRBGUCB-GOEBONIOSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248389490 135001624 /nfs/dbraw/zinc/00/16/24/135001624.db2.gz GTGKCNJQRBGUCB-GOEBONIOSA-N 2 1 246.398 2.349 20 30 BEEDMP CC#CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248389490 135001626 /nfs/dbraw/zinc/00/16/26/135001626.db2.gz GTGKCNJQRBGUCB-GOEBONIOSA-N 2 1 246.398 2.349 20 30 BEEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248760156 135021766 /nfs/dbraw/zinc/02/17/66/135021766.db2.gz GMCGZXAMTSWNKG-BFHYXJOUSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248760156 135021767 /nfs/dbraw/zinc/02/17/67/135021767.db2.gz GMCGZXAMTSWNKG-BFHYXJOUSA-N 2 1 237.391 2.389 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339123993 135059671 /nfs/dbraw/zinc/05/96/71/135059671.db2.gz JJMDPNHFKWTGDY-MCIONIFRSA-N 2 1 235.375 2.095 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252970223 135118828 /nfs/dbraw/zinc/11/88/28/135118828.db2.gz WUZLMTYQLNYEPZ-IJLUTSLNSA-N 2 1 228.767 2.249 20 30 BEEDMP C=CCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261764280 135250994 /nfs/dbraw/zinc/25/09/94/135250994.db2.gz OHNPLJJALCBSKF-CABCVRRESA-N 2 1 230.355 2.237 20 30 BEEDMP CC1=CCC[NH+](CC#CC[N@@H+]2CCC=C(C)C2)C1 ZINC000342166159 135251556 /nfs/dbraw/zinc/25/15/56/135251556.db2.gz MKHJEVPEYLNZMW-UHFFFAOYSA-N 2 1 244.382 2.294 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)CC=C ZINC000294869050 135377581 /nfs/dbraw/zinc/37/75/81/135377581.db2.gz COWNPCVWQFDUQF-KBPBESRZSA-N 2 1 222.376 2.132 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)CC=C ZINC000294869050 135377583 /nfs/dbraw/zinc/37/75/83/135377583.db2.gz COWNPCVWQFDUQF-KBPBESRZSA-N 2 1 222.376 2.132 20 30 BEEDMP N#Cc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000335564244 136107226 /nfs/dbraw/zinc/10/72/26/136107226.db2.gz ZIMNBMWLRWPLDK-GJZGRUSLSA-N 2 1 243.354 2.308 20 30 BEEDMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000335567926 136108350 /nfs/dbraw/zinc/10/83/50/136108350.db2.gz IMFPXCPOFLEJTQ-JTQLQIEISA-N 2 1 247.317 2.100 20 30 BEEDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(C)(C)C#N)C1 ZINC000119698692 410179641 /nfs/dbraw/zinc/17/96/41/410179641.db2.gz BLQQLQWHPUUHAU-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000119698692 410179648 /nfs/dbraw/zinc/17/96/48/410179648.db2.gz BLQQLQWHPUUHAU-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119698692 410179653 /nfs/dbraw/zinc/17/96/53/410179653.db2.gz BLQQLQWHPUUHAU-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000273461689 166292182 /nfs/dbraw/zinc/29/21/82/166292182.db2.gz IFRDOBHHWFIOOZ-GFCCVEGCSA-N 2 1 208.349 2.193 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000126728945 166292976 /nfs/dbraw/zinc/29/29/76/166292976.db2.gz HTEIAVNMYOIHAI-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000651669391 411133794 /nfs/dbraw/zinc/13/37/94/411133794.db2.gz SCMBKONVKZOIFK-GXTWGEPZSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000656787630 411365680 /nfs/dbraw/zinc/36/56/80/411365680.db2.gz PQJNDVBLQGXYHX-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP C=C(CC)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660662707 411615699 /nfs/dbraw/zinc/61/56/99/411615699.db2.gz LQYUQGWNKFBSRI-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660662707 411615700 /nfs/dbraw/zinc/61/57/00/411615700.db2.gz LQYUQGWNKFBSRI-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660662707 411615702 /nfs/dbraw/zinc/61/57/02/411615702.db2.gz LQYUQGWNKFBSRI-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](CCn2ccnc2C)C1 ZINC000661380425 411763163 /nfs/dbraw/zinc/76/31/63/411763163.db2.gz GYTFZNGHMCDOQT-CQSZACIVSA-N 2 1 233.359 2.480 20 30 BEEDMP C=CC[N@@H+](CCn1cc[nH+]c1C)C(C)(C)C ZINC000661759745 411871194 /nfs/dbraw/zinc/87/11/94/411871194.db2.gz JWXVTCAXDBMGPZ-UHFFFAOYSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[N@H+](CCn1cc[nH+]c1C)C(C)(C)C ZINC000661759745 411871199 /nfs/dbraw/zinc/87/11/99/411871199.db2.gz JWXVTCAXDBMGPZ-UHFFFAOYSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662299179 412087711 /nfs/dbraw/zinc/08/77/11/412087711.db2.gz LQIVGICBHKCHHW-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404103259 229372265 /nfs/dbraw/zinc/37/22/65/229372265.db2.gz GLYTZKSIKKJIBU-NSHDSACASA-N 2 1 249.333 2.127 20 30 BEEDMP C=CCSCC[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395090423 262764168 /nfs/dbraw/zinc/76/41/68/262764168.db2.gz UKRYXMVGAVRFLH-NWDGAFQWSA-N 2 1 228.405 2.026 20 30 BEEDMP C=C(C)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245438654 323006168 /nfs/dbraw/zinc/00/61/68/323006168.db2.gz SGPOVKOWUNAVEM-QWHCGFSZSA-N 2 1 210.365 2.225 20 30 BEEDMP C=C(C)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245438654 323006169 /nfs/dbraw/zinc/00/61/69/323006169.db2.gz SGPOVKOWUNAVEM-QWHCGFSZSA-N 2 1 210.365 2.225 20 30 BEEDMP C=C(C)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000245438654 323006170 /nfs/dbraw/zinc/00/61/70/323006170.db2.gz SGPOVKOWUNAVEM-QWHCGFSZSA-N 2 1 210.365 2.225 20 30 BEEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000159730577 323045113 /nfs/dbraw/zinc/04/51/13/323045113.db2.gz MISJQABKFJGIJA-UONOGXRCSA-N 2 1 234.387 2.252 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CC ZINC000328268640 324367961 /nfs/dbraw/zinc/36/79/61/324367961.db2.gz NCPSBJPFUGGPRR-KGLIPLIRSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H]1CC ZINC000328268640 324367963 /nfs/dbraw/zinc/36/79/63/324367963.db2.gz NCPSBJPFUGGPRR-KGLIPLIRSA-N 2 1 222.376 2.110 20 30 BEEDMP C=CC[NH+](CC=C)CCCc1c[nH+]cn1C ZINC000568169703 326319310 /nfs/dbraw/zinc/31/93/10/326319310.db2.gz REZZCIMHNKDHDN-UHFFFAOYSA-N 2 1 219.332 2.027 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000677479513 488106716 /nfs/dbraw/zinc/10/67/16/488106716.db2.gz NWFCIMBXFXZTOU-CABCVRRESA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000677479513 488106721 /nfs/dbraw/zinc/10/67/21/488106721.db2.gz NWFCIMBXFXZTOU-CABCVRRESA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677479513 488106727 /nfs/dbraw/zinc/10/67/27/488106727.db2.gz NWFCIMBXFXZTOU-CABCVRRESA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000677479513 488106730 /nfs/dbraw/zinc/10/67/30/488106730.db2.gz NWFCIMBXFXZTOU-CABCVRRESA-N 2 1 236.403 2.452 20 30 BEEDMP C=CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658113677 487544786 /nfs/dbraw/zinc/54/47/86/487544786.db2.gz IHRBHQLSMSXSML-JHJVBQTASA-N 2 1 208.349 2.025 20 30 BEEDMP C=C(CC)C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000358496634 534371915 /nfs/dbraw/zinc/37/19/15/534371915.db2.gz VNFQPSFVTBDXRQ-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(CC)C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000358496634 534371920 /nfs/dbraw/zinc/37/19/20/534371920.db2.gz VNFQPSFVTBDXRQ-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336734208 534379753 /nfs/dbraw/zinc/37/97/53/534379753.db2.gz MZYUYACERJVOIO-AVGNSLFASA-N 2 1 210.365 2.413 20 30 BEEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336734208 534379759 /nfs/dbraw/zinc/37/97/59/534379759.db2.gz MZYUYACERJVOIO-AVGNSLFASA-N 2 1 210.365 2.413 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000358504361 534399554 /nfs/dbraw/zinc/39/95/54/534399554.db2.gz GEJUCKIZSKSMDL-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357737707 534714478 /nfs/dbraw/zinc/71/44/78/534714478.db2.gz FMZIFDCCAZMYCL-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357737707 534714483 /nfs/dbraw/zinc/71/44/83/534714483.db2.gz FMZIFDCCAZMYCL-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357737707 534714485 /nfs/dbraw/zinc/71/44/85/534714485.db2.gz FMZIFDCCAZMYCL-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357737707 534714487 /nfs/dbraw/zinc/71/44/87/534714487.db2.gz FMZIFDCCAZMYCL-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000374180133 534716826 /nfs/dbraw/zinc/71/68/26/534716826.db2.gz ADEKWVVLNQOTSO-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252841041 534722955 /nfs/dbraw/zinc/72/29/55/534722955.db2.gz BXFONFXOCIWYQQ-AVGNSLFASA-N 2 1 208.349 2.012 20 30 BEEDMP CC[NH+](CC#CC[N@H+](CC)C(C)C)C(C)C ZINC000341830971 535766725 /nfs/dbraw/zinc/76/67/25/535766725.db2.gz HUKYWJSISPXQRN-UHFFFAOYSA-N 2 1 224.392 2.450 20 30 BEEDMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339156837 536346859 /nfs/dbraw/zinc/34/68/59/536346859.db2.gz VYRMYNZLTQEHAA-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339156837 536346860 /nfs/dbraw/zinc/34/68/60/536346860.db2.gz VYRMYNZLTQEHAA-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCC#N)C2)C1 ZINC000339436902 536381594 /nfs/dbraw/zinc/38/15/94/536381594.db2.gz HMPHSDVVUCCKDT-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCC#N)C2)C1 ZINC000339436902 536381595 /nfs/dbraw/zinc/38/15/95/536381595.db2.gz HMPHSDVVUCCKDT-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCC#N)C2)C1 ZINC000339436902 536381597 /nfs/dbraw/zinc/38/15/97/536381597.db2.gz HMPHSDVVUCCKDT-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000852748793 583015932 /nfs/dbraw/zinc/01/59/32/583015932.db2.gz DVAYBLHXLLTFTN-NEPJUHHUSA-N 2 1 228.767 2.060 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000852748794 583015949 /nfs/dbraw/zinc/01/59/49/583015949.db2.gz DVAYBLHXLLTFTN-NWDGAFQWSA-N 2 1 228.767 2.060 20 30 BEEDMP C#C[C@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000894383458 583442927 /nfs/dbraw/zinc/44/29/27/583442927.db2.gz LNEWFXVNVBGSJW-ZDUSSCGKSA-N 2 1 222.376 2.108 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307754 584109402 /nfs/dbraw/zinc/10/94/02/584109402.db2.gz GNMWVILOMCGQNS-CYBMUJFWSA-N 2 1 239.407 2.446 20 30 BEEDMP C[NH2+][C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903423065 584764328 /nfs/dbraw/zinc/76/43/28/584764328.db2.gz OZVFEVLRGSBMEA-RUXDESIVSA-N 2 1 235.375 2.000 20 30 BEEDMP C[NH2+][C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903423065 584764331 /nfs/dbraw/zinc/76/43/31/584764331.db2.gz OZVFEVLRGSBMEA-RUXDESIVSA-N 2 1 235.375 2.000 20 30 BEEDMP C[N@@H+](CC1CCC(C#N)CC1)CC(C)(C)C[NH3+] ZINC000903424689 584764615 /nfs/dbraw/zinc/76/46/15/584764615.db2.gz BTGJZQSOVGWQDC-UHFFFAOYSA-N 2 1 237.391 2.233 20 30 BEEDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903424746 584765397 /nfs/dbraw/zinc/76/53/97/584765397.db2.gz DRTYBGPMTULKIJ-PPWQZUPISA-N 2 1 249.402 2.376 20 30 BEEDMP C[NH2+]CCC[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000903459634 584766040 /nfs/dbraw/zinc/76/60/40/584766040.db2.gz MQOCLBYIQXRWLJ-UHFFFAOYSA-N 2 1 245.370 2.216 20 30 BEEDMP C[NH2+]CCC[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000903459634 584766042 /nfs/dbraw/zinc/76/60/42/584766042.db2.gz MQOCLBYIQXRWLJ-UHFFFAOYSA-N 2 1 245.370 2.216 20 30 BEEDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC1CCC(C#N)CC1 ZINC000903460665 584766941 /nfs/dbraw/zinc/76/69/41/584766941.db2.gz HFUUJQVDKTZSKF-ABXWRUBCSA-N 2 1 235.375 2.128 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903449957 584772245 /nfs/dbraw/zinc/77/22/45/584772245.db2.gz YLQFEWRGDGFFNP-YMAMQOFZSA-N 2 1 247.386 2.002 20 30 BEEDMP N#CC1(CCCC[N@H+]2CCC[C@@H]2C[NH3+])CCC1 ZINC000903717767 584792280 /nfs/dbraw/zinc/79/22/80/584792280.db2.gz WCLXXFUXTHVVAY-CYBMUJFWSA-N 2 1 235.375 2.274 20 30 BEEDMP N#CC1(CCCC[N@@H+]2CCC[C@@H]2C[NH3+])CCC1 ZINC000903717767 584792281 /nfs/dbraw/zinc/79/22/81/584792281.db2.gz WCLXXFUXTHVVAY-CYBMUJFWSA-N 2 1 235.375 2.274 20 30 BEEDMP C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC[NH2+]C1 ZINC000903825601 584804649 /nfs/dbraw/zinc/80/46/49/584804649.db2.gz ARAAPCGQGITTRX-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC[NH2+]C1 ZINC000903825601 584804651 /nfs/dbraw/zinc/80/46/51/584804651.db2.gz ARAAPCGQGITTRX-LLVKDONJSA-N 2 1 249.383 2.051 20 30 BEEDMP C=CCC1([NH2+]C[C@@H]([NH3+])CC(F)F)CCCC1 ZINC000903933273 584824927 /nfs/dbraw/zinc/82/49/27/584824927.db2.gz NRHXFXVLDSGBBH-JTQLQIEISA-N 2 1 232.318 2.447 20 30 BEEDMP C#CCCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000766903681 584944571 /nfs/dbraw/zinc/94/45/71/584944571.db2.gz VIGQNAQOFZCAOR-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CCCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000766903681 584944572 /nfs/dbraw/zinc/94/45/72/584944572.db2.gz VIGQNAQOFZCAOR-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000766903681 584944573 /nfs/dbraw/zinc/94/45/73/584944573.db2.gz VIGQNAQOFZCAOR-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000766901970 585510479 /nfs/dbraw/zinc/51/04/79/585510479.db2.gz BKQCNZWDQOWJEO-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000815652839 586690594 /nfs/dbraw/zinc/69/05/94/586690594.db2.gz WJBOGWVQDJAYSJ-LSDHHAIUSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000815652839 586690596 /nfs/dbraw/zinc/69/05/96/586690596.db2.gz WJBOGWVQDJAYSJ-LSDHHAIUSA-N 2 1 236.403 2.356 20 30 BEEDMP C=CC[N@@H+](Cc1cnc(C)n1C)C(C)C ZINC000824580724 587277663 /nfs/dbraw/zinc/27/76/63/587277663.db2.gz JFXZUAGQDXAKCP-UHFFFAOYSA-N 2 1 207.321 2.125 20 30 BEEDMP C=CCN(Cc1cnc(C)n1C)C(C)C ZINC000824580724 587277665 /nfs/dbraw/zinc/27/76/65/587277665.db2.gz JFXZUAGQDXAKCP-UHFFFAOYSA-N 2 1 207.321 2.125 20 30 BEEDMP C#CC[C@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000829809713 587518137 /nfs/dbraw/zinc/51/81/37/587518137.db2.gz FIMCEMMRAYVGRV-HNNXBMFYSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000830345823 587546874 /nfs/dbraw/zinc/54/68/74/587546874.db2.gz USTSCHBXNGAXEX-UHFFFAOYSA-N 2 1 245.370 2.317 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850471760 588549316 /nfs/dbraw/zinc/54/93/16/588549316.db2.gz UIVDKKWZSTYILZ-ILXRZTDVSA-N 2 1 248.414 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850471760 588549317 /nfs/dbraw/zinc/54/93/17/588549317.db2.gz UIVDKKWZSTYILZ-ILXRZTDVSA-N 2 1 248.414 2.356 20 30 BEEDMP C#C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369289 589203280 /nfs/dbraw/zinc/20/32/80/589203280.db2.gz ROQDPUNFMGWTSO-QWHCGFSZSA-N 2 1 236.403 2.497 20 30 BEEDMP C#C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)(C)C ZINC000862369289 589203282 /nfs/dbraw/zinc/20/32/82/589203282.db2.gz ROQDPUNFMGWTSO-QWHCGFSZSA-N 2 1 236.403 2.497 20 30 BEEDMP CCCCCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000122159217 589557764 /nfs/dbraw/zinc/55/77/64/589557764.db2.gz ZAOXYIRJULEMKM-CHWSQXEVSA-N 2 1 228.380 2.005 20 30 BEEDMP CCCCCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000122159217 589557765 /nfs/dbraw/zinc/55/77/65/589557765.db2.gz ZAOXYIRJULEMKM-CHWSQXEVSA-N 2 1 228.380 2.005 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000878167273 590513774 /nfs/dbraw/zinc/51/37/74/590513774.db2.gz RJIFTTGCKZRPAP-CHWSQXEVSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167273 590513777 /nfs/dbraw/zinc/51/37/77/590513777.db2.gz RJIFTTGCKZRPAP-CHWSQXEVSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000878167273 590513778 /nfs/dbraw/zinc/51/37/78/590513778.db2.gz RJIFTTGCKZRPAP-CHWSQXEVSA-N 2 1 210.365 2.225 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167499 590514075 /nfs/dbraw/zinc/51/40/75/590514075.db2.gz VDAPOUJYLCLBBA-HNNXBMFYSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CCCCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167499 590514077 /nfs/dbraw/zinc/51/40/77/590514077.db2.gz VDAPOUJYLCLBBA-HNNXBMFYSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167499 590514079 /nfs/dbraw/zinc/51/40/79/590514079.db2.gz VDAPOUJYLCLBBA-HNNXBMFYSA-N 2 1 236.403 2.454 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167276 590514147 /nfs/dbraw/zinc/51/41/47/590514147.db2.gz RJIFTTGCKZRPAP-STQMWFEESA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167276 590514148 /nfs/dbraw/zinc/51/41/48/590514148.db2.gz RJIFTTGCKZRPAP-STQMWFEESA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167276 590514149 /nfs/dbraw/zinc/51/41/49/590514149.db2.gz RJIFTTGCKZRPAP-STQMWFEESA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000878652626 590602630 /nfs/dbraw/zinc/60/26/30/590602630.db2.gz SKWIQHMMNYEJMO-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000878652626 590602631 /nfs/dbraw/zinc/60/26/31/590602631.db2.gz SKWIQHMMNYEJMO-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000878652626 590602632 /nfs/dbraw/zinc/60/26/32/590602632.db2.gz SKWIQHMMNYEJMO-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883428852 591660871 /nfs/dbraw/zinc/66/08/71/591660871.db2.gz DTPMRDLSJROMJN-BFHYXJOUSA-N 2 1 222.376 2.273 20 30 BEEDMP C#CC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000886364253 592218956 /nfs/dbraw/zinc/21/89/56/592218956.db2.gz UOPVSJGSMBHFLY-OAHLLOKOSA-N 2 1 234.387 2.208 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869604 592375114 /nfs/dbraw/zinc/37/51/14/592375114.db2.gz CYADAXQCSODNAF-ZDUSSCGKSA-N 2 1 208.349 2.028 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886870141 592375492 /nfs/dbraw/zinc/37/54/92/592375492.db2.gz QKLLDJAYCJNYOW-CQSZACIVSA-N 2 1 222.376 2.418 20 30 BEEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000300055817 592502453 /nfs/dbraw/zinc/50/24/53/592502453.db2.gz KODPLKAMMOTTSL-CHWSQXEVSA-N 2 1 210.365 2.271 20 30 BEEDMP C=CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000308796649 631648743 /nfs/dbraw/zinc/64/87/43/631648743.db2.gz KNFVSGBJJCIMNO-YHWZYXNKSA-N 2 1 208.349 2.167 20 30 BEEDMP C=CC[C@H]1CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000934460326 631854650 /nfs/dbraw/zinc/85/46/50/631854650.db2.gz LGESPNYPDQRIOA-OLZOCXBDSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@H]1CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000934460326 631854653 /nfs/dbraw/zinc/85/46/53/631854653.db2.gz LGESPNYPDQRIOA-OLZOCXBDSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@H]1CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000934460326 631854656 /nfs/dbraw/zinc/85/46/56/631854656.db2.gz LGESPNYPDQRIOA-OLZOCXBDSA-N 2 1 208.349 2.121 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC1CCC1 ZINC000328101937 633236571 /nfs/dbraw/zinc/23/65/71/633236571.db2.gz LJXUDVZHVNQAEK-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC1CCC1 ZINC000328101937 633236573 /nfs/dbraw/zinc/23/65/73/633236573.db2.gz LJXUDVZHVNQAEK-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1csc(C)c1 ZINC000328194851 633741452 /nfs/dbraw/zinc/74/14/52/633741452.db2.gz RAYVPHLLHXLFSH-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1csc(C)c1 ZINC000328194851 633741455 /nfs/dbraw/zinc/74/14/55/633741455.db2.gz RAYVPHLLHXLFSH-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000328258338 633747701 /nfs/dbraw/zinc/74/77/01/633747701.db2.gz KUWVQHYNBWIKBL-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000328258338 633747710 /nfs/dbraw/zinc/74/77/10/633747710.db2.gz KUWVQHYNBWIKBL-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C[NH+](C)C1(C)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000931353161 634371487 /nfs/dbraw/zinc/37/14/87/634371487.db2.gz ZYPJZZQHZABSEP-STQMWFEESA-N 2 1 235.375 2.095 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CCC)C1CCC1 ZINC000322404243 636863163 /nfs/dbraw/zinc/86/31/63/636863163.db2.gz TWDPAPSSTWEPOR-OAHLLOKOSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CCC)C1CCC1 ZINC000322404243 636863167 /nfs/dbraw/zinc/86/31/67/636863167.db2.gz TWDPAPSSTWEPOR-OAHLLOKOSA-N 2 1 236.403 2.500 20 30 BEEDMP C=C(CC)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310061 640147627 /nfs/dbraw/zinc/14/76/27/640147627.db2.gz BMIUGCNNFLGSCS-KBPBESRZSA-N 2 1 222.376 2.226 20 30 BEEDMP C#C[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000847017340 642385596 /nfs/dbraw/zinc/38/55/96/642385596.db2.gz BTVJFMCRWIYLJS-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000847017340 642385600 /nfs/dbraw/zinc/38/56/00/642385600.db2.gz BTVJFMCRWIYLJS-CQSZACIVSA-N 2 1 222.376 2.064 20 30 BEEDMP N#C[C@@H]1CCC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000923431688 644424045 /nfs/dbraw/zinc/42/40/45/644424045.db2.gz GMAJPIQDDPJTNV-WIGRTHMWSA-N 2 1 247.386 2.143 20 30 BEEDMP C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1C[NH3+] ZINC000923493322 644467896 /nfs/dbraw/zinc/46/78/96/644467896.db2.gz SASMZIXIOGXNGC-VXGQWTEUSA-N 2 1 249.402 2.233 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000852752513 645488405 /nfs/dbraw/zinc/48/84/05/645488405.db2.gz BBSQVEPSJBGCCT-NSHDSACASA-N 2 1 228.767 2.203 20 30 BEEDMP C=C(Cl)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925567411 646338209 /nfs/dbraw/zinc/33/82/09/646338209.db2.gz DCIGRNTUEHEURH-STQMWFEESA-N 2 1 242.794 2.497 20 30 BEEDMP C=CCSCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925590534 646348307 /nfs/dbraw/zinc/34/83/07/646348307.db2.gz JEQOAIAUJNWTRX-LBPRGKRZSA-N 2 1 240.416 2.170 20 30 BEEDMP C=C(Cl)C[N@@H+](C)CCCCCC[NH3+] ZINC000710682792 712254266 /nfs/dbraw/zinc/25/42/66/712254266.db2.gz CFISTRYGCOLZTL-UHFFFAOYSA-N 2 1 204.745 2.190 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)C1CCCC1 ZINC000387395171 711043063 /nfs/dbraw/zinc/04/30/63/711043063.db2.gz BOGWHKVDKCNQKL-OAHLLOKOSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)C1CCCC1 ZINC000387395171 711043065 /nfs/dbraw/zinc/04/30/65/711043065.db2.gz BOGWHKVDKCNQKL-OAHLLOKOSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000392769424 711152257 /nfs/dbraw/zinc/15/22/57/711152257.db2.gz BFWALJYUGOPHOY-HOTGVXAUSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000392769424 711152259 /nfs/dbraw/zinc/15/22/59/711152259.db2.gz BFWALJYUGOPHOY-HOTGVXAUSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000394150311 711185921 /nfs/dbraw/zinc/18/59/21/711185921.db2.gz GVOVSWWVXHSYQA-UHFFFAOYSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000394150311 711185923 /nfs/dbraw/zinc/18/59/23/711185923.db2.gz GVOVSWWVXHSYQA-UHFFFAOYSA-N 2 1 248.414 2.500 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000396651097 711359333 /nfs/dbraw/zinc/35/93/33/711359333.db2.gz DNUQLPBVPJHFFT-RYUDHWBXSA-N 2 1 210.365 2.319 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723575270 711519099 /nfs/dbraw/zinc/51/90/99/711519099.db2.gz XKLYUPVPXOELEI-AWEZNQCLSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723575270 711519101 /nfs/dbraw/zinc/51/91/01/711519101.db2.gz XKLYUPVPXOELEI-AWEZNQCLSA-N 2 1 234.387 2.254 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000705926221 712138434 /nfs/dbraw/zinc/13/84/34/712138434.db2.gz KBVAQDBBRSEENI-RWMBFGLXSA-N 2 1 208.349 2.012 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709922837 712233619 /nfs/dbraw/zinc/23/36/19/712233619.db2.gz JZQSMCSTCKOGAS-GFCCVEGCSA-N 2 1 223.364 2.095 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000714999375 712503353 /nfs/dbraw/zinc/50/33/53/712503353.db2.gz AGSJIVJKORGWIN-AEJSXWLSSA-N 2 1 236.281 2.020 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000715055963 712505129 /nfs/dbraw/zinc/50/51/29/712505129.db2.gz AABHNNVYJDZZFN-ZDEQEGDKSA-N 2 1 208.349 2.010 20 30 BEEDMP C=CCCC[N@@H+]1CCCC[C@H]1CC[NH2+]C ZINC000070593393 1165931548 /nfs/dbraw/zinc/93/15/48/1165931548.db2.gz SWVPQXFLXCVDRK-ZDUSSCGKSA-N 2 1 210.365 2.417 20 30 BEEDMP C=C(C)C[N@H+](CC)C[C@H]1CCC[NH+](C)C1 ZINC001208609455 969161611 /nfs/dbraw/zinc/16/16/11/969161611.db2.gz JTLHBFHOTITVIX-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[N@@H+](CC)C[C@H]1CCC[NH+](C)C1 ZINC001208609455 969161613 /nfs/dbraw/zinc/16/16/13/969161613.db2.gz JTLHBFHOTITVIX-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[NH+](CC)C[C@H]1CCC[N@H+](C)C1 ZINC001208609455 969161619 /nfs/dbraw/zinc/16/16/19/969161619.db2.gz JTLHBFHOTITVIX-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[NH+](CC)C[C@H]1CCC[N@@H+](C)C1 ZINC001208609455 969161622 /nfs/dbraw/zinc/16/16/22/969161622.db2.gz JTLHBFHOTITVIX-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CC[NH+](CC=C)CC(C)(C)C[NH+](C)C ZINC001207285349 1166273343 /nfs/dbraw/zinc/27/33/43/1166273343.db2.gz HFYFTXIDMJXXBH-UHFFFAOYSA-N 2 1 210.365 2.248 20 30 BEEDMP CCCCCCC[C@@H](C)[N@@H+]1CCO[C@@H](C[NH3+])C1 ZINC000228995993 1166329226 /nfs/dbraw/zinc/32/92/26/1166329226.db2.gz DZEZJCHTDKDORT-KGLIPLIRSA-N 2 1 242.407 2.395 20 30 BEEDMP CCCCCCC[C@@H](C)[N@H+]1CCO[C@@H](C[NH3+])C1 ZINC000228995993 1166329231 /nfs/dbraw/zinc/32/92/31/1166329231.db2.gz DZEZJCHTDKDORT-KGLIPLIRSA-N 2 1 242.407 2.395 20 30 BEEDMP C#CC1([NH2+][C@@H]2CCC[N@H+](C)CC2)CCCCC1 ZINC001254512445 969678235 /nfs/dbraw/zinc/67/82/35/969678235.db2.gz NOIBMVXRJZBAMX-CQSZACIVSA-N 2 1 234.387 2.396 20 30 BEEDMP C=C(C)C[N@H+](CC)[C@@H]1CCC[NH+](C)CC1 ZINC001254524896 969716307 /nfs/dbraw/zinc/71/63/07/969716307.db2.gz DOAYHEOIEAFMCQ-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)[C@@H]1CCC[N@H+](C)CC1 ZINC001254524896 969716315 /nfs/dbraw/zinc/71/63/15/969716315.db2.gz DOAYHEOIEAFMCQ-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254524896 969716322 /nfs/dbraw/zinc/71/63/22/969716322.db2.gz DOAYHEOIEAFMCQ-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254643303 969759212 /nfs/dbraw/zinc/75/92/12/969759212.db2.gz NSEYDRAVLBFWPE-MQYQWHSLSA-N 2 1 235.375 2.141 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000309488577 1167317236 /nfs/dbraw/zinc/31/72/36/1167317236.db2.gz XRJDTAUITDUONP-KGLIPLIRSA-N 2 1 224.392 2.498 20 30 BEEDMP C[C@@H](CCC#N)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001336721774 977882755 /nfs/dbraw/zinc/88/27/55/977882755.db2.gz PCJNEJWSVIIOIX-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP CCCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165258 978985612 /nfs/dbraw/zinc/98/56/12/978985612.db2.gz IDKZXALQUGOXSM-QWHCGFSZSA-N 2 1 210.365 2.380 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165258 978985620 /nfs/dbraw/zinc/98/56/20/978985620.db2.gz IDKZXALQUGOXSM-QWHCGFSZSA-N 2 1 210.365 2.380 20 30 BEEDMP C=CCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711259 979127185 /nfs/dbraw/zinc/12/71/85/979127185.db2.gz OWORRTJODFWBBY-UHFFFAOYSA-N 2 1 222.376 2.418 20 30 BEEDMP C#CCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212122 983806844 /nfs/dbraw/zinc/80/68/44/983806844.db2.gz GCLDSQYRFSTONI-UHFFFAOYSA-N 2 1 230.355 2.203 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001172479715 974780124 /nfs/dbraw/zinc/78/01/24/974780124.db2.gz NUDRIPCVSALOLW-STQMWFEESA-N 2 1 223.364 2.000 20 30 BEEDMP C[C@]1(C[NH3+])CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001246579923 972918057 /nfs/dbraw/zinc/91/80/57/972918057.db2.gz VGQDXJPIIDOMHF-MJBXVCDLSA-N 2 1 235.375 2.130 20 30 BEEDMP C#CC1([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256563903 970864182 /nfs/dbraw/zinc/86/41/82/970864182.db2.gz JBKKFEASKRXWMM-UHFFFAOYSA-N 2 1 220.360 2.005 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC001257222237 971135432 /nfs/dbraw/zinc/13/54/32/971135432.db2.gz YJFQRGDWNQGFGI-CQSZACIVSA-N 2 1 234.387 2.204 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]([NH3+])C3)C[C@H](C1)C2 ZINC001257887269 971517802 /nfs/dbraw/zinc/51/78/02/971517802.db2.gz ZPCJUAINCQVWLI-RBKKPWLPSA-N 2 1 220.360 2.154 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@H]([NH3+])C3)C[C@H](C1)C2 ZINC001257887269 971517810 /nfs/dbraw/zinc/51/78/10/971517810.db2.gz ZPCJUAINCQVWLI-RBKKPWLPSA-N 2 1 220.360 2.154 20 30 BEEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC000311182542 960219733 /nfs/dbraw/zinc/21/97/33/960219733.db2.gz ZJLUVPHHQMELIY-CYBMUJFWSA-N 2 1 243.354 2.119 20 30 BEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000311182542 960219743 /nfs/dbraw/zinc/21/97/43/960219743.db2.gz ZJLUVPHHQMELIY-CYBMUJFWSA-N 2 1 243.354 2.119 20 30 BEEDMP Cc1ccc(CC#N)c(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]1 ZINC001154988144 962934802 /nfs/dbraw/zinc/93/48/02/962934802.db2.gz PELDWLKRHPCXBU-STQMWFEESA-N 2 1 244.342 2.138 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001168323673 964452156 /nfs/dbraw/zinc/45/21/56/964452156.db2.gz ACDOZHNACIITAN-IYXRBSQSSA-N 2 1 235.375 2.095 20 30 BEEDMP C#Cc1cccc(C[N@H+](CC)CCC[NH+](C)C)c1 ZINC001231660567 965274749 /nfs/dbraw/zinc/27/47/49/965274749.db2.gz IEWXFXCLGPHJKY-UHFFFAOYSA-N 2 1 244.382 2.442 20 30 BEEDMP C#Cc1cccc(C[N@@H+](CC)CCC[NH+](C)C)c1 ZINC001231660567 965274760 /nfs/dbraw/zinc/27/47/60/965274760.db2.gz IEWXFXCLGPHJKY-UHFFFAOYSA-N 2 1 244.382 2.442 20 30 BEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C#C[Si](C)(C)C)C1 ZINC001165278094 966023055 /nfs/dbraw/zinc/02/30/55/966023055.db2.gz CPIDZUCRPUSGOA-ZDUSSCGKSA-N 2 1 238.451 2.146 20 30 BEEDMP N#CCC[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC001207437802 968769228 /nfs/dbraw/zinc/76/92/28/968769228.db2.gz ZZXLRKZETMWHKJ-UHFFFAOYSA-N 2 1 235.375 2.144 20 30 BEEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001207483854 968797305 /nfs/dbraw/zinc/79/73/05/968797305.db2.gz IPIANTFETMJDGK-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C=CCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209162736 969366059 /nfs/dbraw/zinc/36/60/59/969366059.db2.gz ZIFBZGFSUNGARP-UHFFFAOYSA-N 2 1 234.387 2.370 20 30 BEEDMP C=CCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209162736 969366061 /nfs/dbraw/zinc/36/60/61/969366061.db2.gz ZIFBZGFSUNGARP-UHFFFAOYSA-N 2 1 234.387 2.370 20 30 BEEDMP CC[NH+]1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001169263859 969518826 /nfs/dbraw/zinc/51/88/26/969518826.db2.gz BXAWKCKWRUFHKZ-XMQYKBBCSA-N 2 1 247.386 2.237 20 30 BEEDMP CC[NH+]1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001169263859 969518841 /nfs/dbraw/zinc/51/88/41/969518841.db2.gz BXAWKCKWRUFHKZ-XMQYKBBCSA-N 2 1 247.386 2.237 20 30 BEEDMP C=CC[N@H+](Cc1c[nH+]ccc1N)C(C)(C)C ZINC001209733550 969593323 /nfs/dbraw/zinc/59/33/23/969593323.db2.gz ZXVYOBXJBIYHFC-UHFFFAOYSA-N 2 1 219.332 2.281 20 30 BEEDMP C=CC[N@@H+](Cc1c[nH+]ccc1N)C(C)(C)C ZINC001209733550 969593327 /nfs/dbraw/zinc/59/33/27/969593327.db2.gz ZXVYOBXJBIYHFC-UHFFFAOYSA-N 2 1 219.332 2.281 20 30 BEEDMP C[N@@H+]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001254506865 969673023 /nfs/dbraw/zinc/67/30/23/969673023.db2.gz BTHBCGCDMDHUHH-MRXNPFEDSA-N 2 1 242.366 2.112 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC001254506865 969673037 /nfs/dbraw/zinc/67/30/37/969673037.db2.gz BTHBCGCDMDHUHH-MRXNPFEDSA-N 2 1 242.366 2.112 20 30 BEEDMP C#Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001254505768 969674651 /nfs/dbraw/zinc/67/46/51/969674651.db2.gz IUWYZMXUUDPSSR-MRXNPFEDSA-N 2 1 242.366 2.242 20 30 BEEDMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001254507877 969683222 /nfs/dbraw/zinc/68/32/22/969683222.db2.gz OIMOBDBIFQAIBI-LLVKDONJSA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)CC1 ZINC001254507877 969683228 /nfs/dbraw/zinc/68/32/28/969683228.db2.gz OIMOBDBIFQAIBI-LLVKDONJSA-N 2 1 249.383 2.194 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255668255 970447287 /nfs/dbraw/zinc/44/72/87/970447287.db2.gz IILQIZUVROVHSR-DKUMPPAJSA-N 2 1 234.387 2.393 20 30 BEEDMP N#CCC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256077061 970647352 /nfs/dbraw/zinc/64/73/52/970647352.db2.gz LAAPMCODSKKCGY-UHFFFAOYSA-N 2 1 247.386 2.239 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246584872 972972513 /nfs/dbraw/zinc/97/25/13/972972513.db2.gz VYRYOFIIJWXFSZ-OLZOCXBDSA-N 2 1 210.365 2.402 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[NH2+]C[C@@H]43)C[C@H](C1)C2 ZINC001246915580 973460745 /nfs/dbraw/zinc/46/07/45/973460745.db2.gz GRXFGYWXEQLBJP-LJIAPDMLSA-N 2 1 232.371 2.025 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH2+]C[C@@H]43)C[C@H](C1)C2 ZINC001246915580 973460755 /nfs/dbraw/zinc/46/07/55/973460755.db2.gz GRXFGYWXEQLBJP-LJIAPDMLSA-N 2 1 232.371 2.025 20 30 BEEDMP N#CC1CCC([N@@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014513 973795114 /nfs/dbraw/zinc/79/51/14/973795114.db2.gz KOEDXWNMEMKBOD-OOJKYFRXSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC([N@H+]2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014513 973795121 /nfs/dbraw/zinc/79/51/21/973795121.db2.gz KOEDXWNMEMKBOD-OOJKYFRXSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156780 974333928 /nfs/dbraw/zinc/33/39/28/974333928.db2.gz SSXLJIRXSUQOCC-NEPJUHHUSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156780 974333933 /nfs/dbraw/zinc/33/39/33/974333933.db2.gz SSXLJIRXSUQOCC-NEPJUHHUSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156780 974333944 /nfs/dbraw/zinc/33/39/44/974333944.db2.gz SSXLJIRXSUQOCC-NEPJUHHUSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156785 974328432 /nfs/dbraw/zinc/32/84/32/974328432.db2.gz SSXLJIRXSUQOCC-VXGBXAGGSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156785 974328437 /nfs/dbraw/zinc/32/84/37/974328437.db2.gz SSXLJIRXSUQOCC-VXGBXAGGSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156785 974328446 /nfs/dbraw/zinc/32/84/46/974328446.db2.gz SSXLJIRXSUQOCC-VXGBXAGGSA-N 2 1 214.328 2.104 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CCCC[C@H]1[NH+](C)C ZINC001330608025 974355868 /nfs/dbraw/zinc/35/58/68/974355868.db2.gz LLFFPMQRBSDESM-MGPQQGTHSA-N 2 1 237.391 2.389 20 30 BEEDMP C#C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC001172123573 974392014 /nfs/dbraw/zinc/39/20/14/974392014.db2.gz FDMCOZCIBBQOBH-JONQDZQNSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC001172123573 974392031 /nfs/dbraw/zinc/39/20/31/974392031.db2.gz FDMCOZCIBBQOBH-JONQDZQNSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123573 974392044 /nfs/dbraw/zinc/39/20/44/974392044.db2.gz FDMCOZCIBBQOBH-JONQDZQNSA-N 2 1 246.398 2.347 20 30 BEEDMP C#C[C@H]1CCC[N@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC001172123573 974392053 /nfs/dbraw/zinc/39/20/53/974392053.db2.gz FDMCOZCIBBQOBH-JONQDZQNSA-N 2 1 246.398 2.347 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+](C)C1CCC([NH3+])CC1 ZINC001172483712 974786966 /nfs/dbraw/zinc/78/69/66/974786966.db2.gz SLHPMMMOZXNQKQ-PNESKVBLSA-N 2 1 223.364 2.270 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172484277 974787229 /nfs/dbraw/zinc/78/72/29/974787229.db2.gz ZVAHUPGZMQKEHQ-QWHCGFSZSA-N 2 1 223.364 2.143 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172499464 974850966 /nfs/dbraw/zinc/85/09/66/974850966.db2.gz XYZHKCKIQWZNTL-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172499464 974850967 /nfs/dbraw/zinc/85/09/67/974850967.db2.gz XYZHKCKIQWZNTL-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCCC#N)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172499464 974850970 /nfs/dbraw/zinc/85/09/70/974850970.db2.gz XYZHKCKIQWZNTL-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172499179 974852660 /nfs/dbraw/zinc/85/26/60/974852660.db2.gz BQXDASGWWUUCLO-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C=CCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235025107 978955404 /nfs/dbraw/zinc/95/54/04/978955404.db2.gz VZUAPMUBZPKRBC-UHFFFAOYSA-N 2 1 222.376 2.418 20 30 BEEDMP C#Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236216192 979455271 /nfs/dbraw/zinc/45/52/71/979455271.db2.gz IWOQYPJXYQQKNH-HZPDHXFCSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236216192 979455275 /nfs/dbraw/zinc/45/52/75/979455275.db2.gz IWOQYPJXYQQKNH-HZPDHXFCSA-N 2 1 242.366 2.370 20 30 BEEDMP C[C@H]([NH3+])C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001236303550 979508042 /nfs/dbraw/zinc/50/80/42/979508042.db2.gz RPXOACKXGBXGNO-AWEZNQCLSA-N 2 1 242.366 2.097 20 30 BEEDMP C=CC[N@@H+](CC[C@H]1COC(C)(C)[NH2+]1)C(C)(C)C ZINC001236307488 979510276 /nfs/dbraw/zinc/51/02/76/979510276.db2.gz CDOKFIVTWRUCFK-LBPRGKRZSA-N 2 1 240.391 2.388 20 30 BEEDMP C=CC[N@H+](CC[C@H]1COC(C)(C)[NH2+]1)C(C)(C)C ZINC001236307488 979510284 /nfs/dbraw/zinc/51/02/84/979510284.db2.gz CDOKFIVTWRUCFK-LBPRGKRZSA-N 2 1 240.391 2.388 20 30 BEEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC001205255035 979733854 /nfs/dbraw/zinc/73/38/54/979733854.db2.gz FEXICVHSQRFPOB-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205601982 981158562 /nfs/dbraw/zinc/15/85/62/981158562.db2.gz HNCOOBCWWJIAOO-QWHCGFSZSA-N 2 1 210.365 2.259 20 30 BEEDMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001257218643 984853131 /nfs/dbraw/zinc/85/31/31/984853131.db2.gz VHIGJSFAZWSXTF-CQSZACIVSA-N 2 1 249.402 2.485 20 30 BEEDMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001257218643 984853135 /nfs/dbraw/zinc/85/31/35/984853135.db2.gz VHIGJSFAZWSXTF-CQSZACIVSA-N 2 1 249.402 2.485 20 30 BEEDMP C#CCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000686685922 985205419 /nfs/dbraw/zinc/20/54/19/985205419.db2.gz PCVUCDYEWRQOSP-CABCVRRESA-N 2 1 234.387 2.064 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001258732516 986075251 /nfs/dbraw/zinc/07/52/51/986075251.db2.gz MONLTMLKSATOIP-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001258732516 986075266 /nfs/dbraw/zinc/07/52/66/986075266.db2.gz MONLTMLKSATOIP-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001258732516 986075282 /nfs/dbraw/zinc/07/52/82/986075282.db2.gz MONLTMLKSATOIP-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254645213 986696544 /nfs/dbraw/zinc/69/65/44/986696544.db2.gz AZGWIORCMRRJCW-RYPNDVFKSA-N 2 1 247.386 2.284 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254645213 986696549 /nfs/dbraw/zinc/69/65/49/986696549.db2.gz AZGWIORCMRRJCW-RYPNDVFKSA-N 2 1 247.386 2.284 20 30 BEEDMP CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CC[NH2+]1 ZINC001245980874 987261917 /nfs/dbraw/zinc/26/19/17/987261917.db2.gz JFVFZCJAPAGLRX-UONOGXRCSA-N 2 1 242.407 2.049 20 30 BEEDMP CCCCCCCC[C@H](O)C[N@@H+](C)CCC[NH3+] ZINC001246041453 987341469 /nfs/dbraw/zinc/34/14/69/987341469.db2.gz ZGUHWMNVKLNXEY-AWEZNQCLSA-N 2 1 244.423 2.379 20 30 BEEDMP C[C@H]1CC[C@@H]([NH2+]CCCCCCS)C[NH2+]1 ZINC001246461336 987818543 /nfs/dbraw/zinc/81/85/43/987818543.db2.gz APHNAECZIWAEHT-NWDGAFQWSA-N 2 1 230.421 2.207 20 30 BEEDMP N#Cc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Cl ZINC001246470377 987828933 /nfs/dbraw/zinc/82/89/33/987828933.db2.gz MYQNGDBWTWHPHN-UHFFFAOYSA-N 2 1 249.745 2.053 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]C[C@@H]4C[C@@H]43)C[C@H](C1)C2 ZINC001246501159 987855702 /nfs/dbraw/zinc/85/57/02/987855702.db2.gz ANJBIBZAHSALKO-UCHDVTTGSA-N 2 1 246.398 2.319 20 30 BEEDMP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC001325724368 989242455 /nfs/dbraw/zinc/24/24/55/989242455.db2.gz WRDZSMJVXHIZJW-QWRGUYRKSA-N 2 1 249.333 2.346 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001574907434 992940205 /nfs/dbraw/zinc/94/02/05/992940205.db2.gz LXAZRKZTMCDWTQ-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001574907434 992940210 /nfs/dbraw/zinc/94/02/10/992940210.db2.gz LXAZRKZTMCDWTQ-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000379938943 993298650 /nfs/dbraw/zinc/29/86/50/993298650.db2.gz YKBQKNULCNPNNS-LLVKDONJSA-N 2 1 207.321 2.136 20 30 BEEDMP CCCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000390505705 993792602 /nfs/dbraw/zinc/79/26/02/993792602.db2.gz WIXCNZDQCMYQKQ-KGLIPLIRSA-N 2 1 224.392 2.498 20 30 BEEDMP C=CCOc1ccccc1C[N@H+](C)CCC[NH3+] ZINC000571087653 398178593 /nfs/dbraw/zinc/17/85/93/398178593.db2.gz DQNOFOBXTQRGLW-UHFFFAOYSA-N 2 1 234.343 2.032 20 30 BEEDMP C=CCOc1ccccc1C[N@@H+](C)CCC[NH3+] ZINC000571087653 398178595 /nfs/dbraw/zinc/17/85/95/398178595.db2.gz DQNOFOBXTQRGLW-UHFFFAOYSA-N 2 1 234.343 2.032 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000602463817 349557091 /nfs/dbraw/zinc/55/70/91/349557091.db2.gz WGTVRKCWHVPJLI-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C=CCC[C@H]([NH2+]CCc1c[nH+]cn1C)C1CC1 ZINC000530513100 342801533 /nfs/dbraw/zinc/80/15/33/342801533.db2.gz BYYAXTWFTATCTI-AWEZNQCLSA-N 2 1 233.359 2.297 20 30 BEEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602651990 349659687 /nfs/dbraw/zinc/65/96/87/349659687.db2.gz BWILQBQPTSTLNG-KGLIPLIRSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602651990 349659689 /nfs/dbraw/zinc/65/96/89/349659689.db2.gz BWILQBQPTSTLNG-KGLIPLIRSA-N 2 1 237.391 2.390 20 30 BEEDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602658472 349663450 /nfs/dbraw/zinc/66/34/50/349663450.db2.gz YLLACFUJPYEEGB-SLTAFYQDSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000602722538 349713712 /nfs/dbraw/zinc/71/37/12/349713712.db2.gz GDIGGSPNCZJBTL-ZIAGYGMSSA-N 2 1 237.391 2.248 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602796078 349737712 /nfs/dbraw/zinc/73/77/12/349737712.db2.gz VGDLAPRSYUXPIJ-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602796078 349737714 /nfs/dbraw/zinc/73/77/14/349737714.db2.gz VGDLAPRSYUXPIJ-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602796078 349737716 /nfs/dbraw/zinc/73/77/16/349737716.db2.gz VGDLAPRSYUXPIJ-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[N@@H+]1CC[C@H]([NH+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779847 349745998 /nfs/dbraw/zinc/74/59/98/349745998.db2.gz SQQMIMLPSVJXLB-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779847 349746000 /nfs/dbraw/zinc/74/60/00/349746000.db2.gz SQQMIMLPSVJXLB-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779847 349746004 /nfs/dbraw/zinc/74/60/04/349746004.db2.gz SQQMIMLPSVJXLB-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779847 349746008 /nfs/dbraw/zinc/74/60/08/349746008.db2.gz SQQMIMLPSVJXLB-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000336627250 136264675 /nfs/dbraw/zinc/26/46/75/136264675.db2.gz ZPKZPCLVHKEOGP-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000336627250 136264676 /nfs/dbraw/zinc/26/46/76/136264676.db2.gz ZPKZPCLVHKEOGP-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C[NH2+]1 ZINC000600710617 344360721 /nfs/dbraw/zinc/36/07/21/344360721.db2.gz POHMDJVCYVCGCQ-NELGMTEASA-N 2 1 235.375 2.189 20 30 BEEDMP C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[NH2+]1 ZINC000600710619 344361054 /nfs/dbraw/zinc/36/10/54/344361054.db2.gz POHMDJVCYVCGCQ-ZIHBUVQPSA-N 2 1 235.375 2.189 20 30 BEEDMP N#CC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000260277168 344808183 /nfs/dbraw/zinc/80/81/83/344808183.db2.gz YDLYBXQYQCWSRH-OAHLLOKOSA-N 2 1 249.402 2.488 20 30 BEEDMP N#CC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000260277168 344808184 /nfs/dbraw/zinc/80/81/84/344808184.db2.gz YDLYBXQYQCWSRH-OAHLLOKOSA-N 2 1 249.402 2.488 20 30 BEEDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000070074522 345329979 /nfs/dbraw/zinc/32/99/79/345329979.db2.gz GPWYBPFGACVQFX-WFASDCNBSA-N 2 1 243.354 2.117 20 30 BEEDMP N#CC1(CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000591011384 347605497 /nfs/dbraw/zinc/60/54/97/347605497.db2.gz HAFZBTZOZKFURQ-OKILXGFUSA-N 2 1 247.386 2.002 20 30 BEEDMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591579962 347677373 /nfs/dbraw/zinc/67/73/73/347677373.db2.gz BMHZGNNVFBQKAS-UKRRQHHQSA-N 2 1 243.354 2.263 20 30 BEEDMP N#CC1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000594740557 348111089 /nfs/dbraw/zinc/11/10/89/348111089.db2.gz YWRGWRLEUVAHQR-QWHCGFSZSA-N 2 1 235.375 2.320 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2cccn2C)CC1 ZINC000119128040 348199600 /nfs/dbraw/zinc/19/96/00/348199600.db2.gz JFQIAMHZAJMTEZ-UHFFFAOYSA-N 2 1 247.386 2.155 20 30 BEEDMP N#CC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000596653884 348607593 /nfs/dbraw/zinc/60/75/93/348607593.db2.gz XOQHZNZAWXILEL-QWHCGFSZSA-N 2 1 235.375 2.177 20 30 BEEDMP Cn1c[nH+]cc1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000598917766 349057870 /nfs/dbraw/zinc/05/78/70/349057870.db2.gz JNVJUEYXOYRLRD-UHFFFAOYSA-N 2 1 246.358 2.025 20 30 BEEDMP CC[N@@H+]1CC[C@H]([NH+](C)CCCC#N)C[C@H]1C ZINC000336669135 350433381 /nfs/dbraw/zinc/43/33/81/350433381.db2.gz HVLJENHNCWLYBG-OLZOCXBDSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCC#N)C[C@H]1C ZINC000336669135 350433384 /nfs/dbraw/zinc/43/33/84/350433384.db2.gz HVLJENHNCWLYBG-OLZOCXBDSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCC#N)C[C@H]1C ZINC000336669135 350433385 /nfs/dbraw/zinc/43/33/85/350433385.db2.gz HVLJENHNCWLYBG-OLZOCXBDSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC#N)C[C@H]1C ZINC000336669135 350433387 /nfs/dbraw/zinc/43/33/87/350433387.db2.gz HVLJENHNCWLYBG-OLZOCXBDSA-N 2 1 223.364 2.095 20 30 BEEDMP C=CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280627118 351854390 /nfs/dbraw/zinc/85/43/90/351854390.db2.gz YPJIBSBPTNNZJS-IYBDPMFKSA-N 2 1 242.366 2.236 20 30 BEEDMP C=CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280627118 351854392 /nfs/dbraw/zinc/85/43/92/351854392.db2.gz YPJIBSBPTNNZJS-IYBDPMFKSA-N 2 1 242.366 2.236 20 30 BEEDMP C=CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280627118 351854393 /nfs/dbraw/zinc/85/43/93/351854393.db2.gz YPJIBSBPTNNZJS-IYBDPMFKSA-N 2 1 242.366 2.236 20 30 BEEDMP C=CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280627118 351854397 /nfs/dbraw/zinc/85/43/97/351854397.db2.gz YPJIBSBPTNNZJS-IYBDPMFKSA-N 2 1 242.366 2.236 20 30 BEEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000271349895 166342054 /nfs/dbraw/zinc/34/20/54/166342054.db2.gz DCGYIEJDBVRRKD-UHFFFAOYSA-N 2 1 219.332 2.232 20 30 BEEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)C1CC1 ZINC000271349895 166342056 /nfs/dbraw/zinc/34/20/56/166342056.db2.gz DCGYIEJDBVRRKD-UHFFFAOYSA-N 2 1 219.332 2.232 20 30 BEEDMP C[C@H](CCC#N)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000411298213 191175466 /nfs/dbraw/zinc/17/54/66/191175466.db2.gz JCMBMLAFCIHECA-HIFRSBDPSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000411298213 191175469 /nfs/dbraw/zinc/17/54/69/191175469.db2.gz JCMBMLAFCIHECA-HIFRSBDPSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000411298213 191175471 /nfs/dbraw/zinc/17/54/71/191175471.db2.gz JCMBMLAFCIHECA-HIFRSBDPSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000411298213 191175474 /nfs/dbraw/zinc/17/54/74/191175474.db2.gz JCMBMLAFCIHECA-HIFRSBDPSA-N 2 1 249.402 2.342 20 30 BEEDMP CC#CC[NH+](C)CCC(C)CC[N@H+](C)CC#CC ZINC000411770242 191209855 /nfs/dbraw/zinc/20/98/55/191209855.db2.gz LSQMAAAFWDNWLX-UHFFFAOYSA-N 2 1 248.414 2.313 20 30 BEEDMP C=CC[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000336744939 352702021 /nfs/dbraw/zinc/70/20/21/352702021.db2.gz QIIBACLKHLCUJU-SNVBAGLBSA-N 2 1 239.388 2.259 20 30 BEEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000336763835 353250817 /nfs/dbraw/zinc/25/08/17/353250817.db2.gz PQZBKKJHGWQTOQ-OLZOCXBDSA-N 2 1 210.365 2.273 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CCC=C)C1CC1 ZINC000294865176 353791675 /nfs/dbraw/zinc/79/16/75/353791675.db2.gz CGBMXTKBDGPMCJ-HNNXBMFYSA-N 2 1 234.387 2.276 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CCC=C)C1CC1 ZINC000294865176 353791678 /nfs/dbraw/zinc/79/16/78/353791678.db2.gz CGBMXTKBDGPMCJ-HNNXBMFYSA-N 2 1 234.387 2.276 20 30 BEEDMP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351224328 355963630 /nfs/dbraw/zinc/96/36/30/355963630.db2.gz KDAQAFSNGHCOBC-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)CCC#N)C1 ZINC000351224328 355963634 /nfs/dbraw/zinc/96/36/34/355963634.db2.gz KDAQAFSNGHCOBC-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351224328 355963638 /nfs/dbraw/zinc/96/36/38/355963638.db2.gz KDAQAFSNGHCOBC-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000351224328 355963643 /nfs/dbraw/zinc/96/36/43/355963643.db2.gz KDAQAFSNGHCOBC-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756884 356663756 /nfs/dbraw/zinc/66/37/56/356663756.db2.gz DOUHVYPXNVVQHO-AWEZNQCLSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758189 356667261 /nfs/dbraw/zinc/66/72/61/356667261.db2.gz QBIJTVOHNVSRJP-UHFFFAOYSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367198289 134172716 /nfs/dbraw/zinc/17/27/16/134172716.db2.gz AGNXGTLXYRZIOV-UHFFFAOYSA-N 2 1 222.376 2.370 20 30 BEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC#N)CC[C@@H]21 ZINC000129104590 358584090 /nfs/dbraw/zinc/58/40/90/358584090.db2.gz DGGIQBCYCCGWAH-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC#N)CC[C@@H]21 ZINC000129104590 358584093 /nfs/dbraw/zinc/58/40/93/358584093.db2.gz DGGIQBCYCCGWAH-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCC#N)CC[C@@H]21 ZINC000129104590 358584098 /nfs/dbraw/zinc/58/40/98/358584098.db2.gz DGGIQBCYCCGWAH-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@@H](C)C#N ZINC000124993925 358530486 /nfs/dbraw/zinc/53/04/86/358530486.db2.gz PFTXIUKQFGNVOK-LBPRGKRZSA-N 2 1 234.347 2.063 20 30 BEEDMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@@H](C)C#N ZINC000124993925 358530488 /nfs/dbraw/zinc/53/04/88/358530488.db2.gz PFTXIUKQFGNVOK-LBPRGKRZSA-N 2 1 234.347 2.063 20 30 BEEDMP C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CC[N@H+]1C ZINC000135200569 358826488 /nfs/dbraw/zinc/82/64/88/358826488.db2.gz HOTYKSWYQRMVLL-QWHCGFSZSA-N 2 1 237.391 2.389 20 30 BEEDMP C=C(C)CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309021702 491142790 /nfs/dbraw/zinc/14/27/90/491142790.db2.gz XOZFKXJGCPBADQ-ZDUSSCGKSA-N 2 1 210.365 2.415 20 30 BEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000309021702 491142791 /nfs/dbraw/zinc/14/27/91/491142791.db2.gz XOZFKXJGCPBADQ-ZDUSSCGKSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629397797 361047608 /nfs/dbraw/zinc/04/76/08/361047608.db2.gz ZXSZECBEBVPKPZ-RNJOBUHISA-N 2 1 210.365 2.317 20 30 BEEDMP C=CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561548 361456750 /nfs/dbraw/zinc/45/67/50/361456750.db2.gz JGMIELGFCPNRAT-NXEZZACHSA-N 2 1 236.281 2.022 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000629649968 361546434 /nfs/dbraw/zinc/54/64/34/361546434.db2.gz MOEIGRZOANEHNK-CHWSQXEVSA-N 2 1 210.365 2.258 20 30 BEEDMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CCC#N)CC1 ZINC000579837667 367040741 /nfs/dbraw/zinc/04/07/41/367040741.db2.gz LSLZDSHRMJJFEA-CQSZACIVSA-N 2 1 237.391 2.376 20 30 BEEDMP N#Cc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000580777145 367163629 /nfs/dbraw/zinc/16/36/29/367163629.db2.gz KQYZKZBKHKMBJB-HNNXBMFYSA-N 2 1 243.354 2.165 20 30 BEEDMP N#Cc1cccc(C[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000580777146 367164047 /nfs/dbraw/zinc/16/40/47/367164047.db2.gz KQYZKZBKHKMBJB-OAHLLOKOSA-N 2 1 243.354 2.165 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000384849789 367742358 /nfs/dbraw/zinc/74/23/58/367742358.db2.gz LAPFDFNWINPSNT-QWHCGFSZSA-N 2 1 222.376 2.415 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000618887761 369235703 /nfs/dbraw/zinc/23/57/03/369235703.db2.gz HMKDYTCSAOHOIA-RDBSUJKOSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000618887761 369235707 /nfs/dbraw/zinc/23/57/07/369235707.db2.gz HMKDYTCSAOHOIA-RDBSUJKOSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000618887761 369235709 /nfs/dbraw/zinc/23/57/09/369235709.db2.gz HMKDYTCSAOHOIA-RDBSUJKOSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000618887761 369235711 /nfs/dbraw/zinc/23/57/11/369235711.db2.gz HMKDYTCSAOHOIA-RDBSUJKOSA-N 2 1 237.391 2.341 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000459782716 203367399 /nfs/dbraw/zinc/36/73/99/203367399.db2.gz MWDABCWQPXXQNE-RBSFLKMASA-N 2 1 249.402 2.390 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000459782706 203367788 /nfs/dbraw/zinc/36/77/88/203367788.db2.gz MWDABCWQPXXQNE-ILXRZTDVSA-N 2 1 249.402 2.390 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C#N ZINC000600711093 369561105 /nfs/dbraw/zinc/56/11/05/369561105.db2.gz QXFDDWSWFGUVED-IUODEOHRSA-N 2 1 243.354 2.178 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1C#N ZINC000600711093 369561107 /nfs/dbraw/zinc/56/11/07/369561107.db2.gz QXFDDWSWFGUVED-IUODEOHRSA-N 2 1 243.354 2.178 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886429 372683060 /nfs/dbraw/zinc/68/30/60/372683060.db2.gz HBCAXGBUHCIDRL-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886429 372683062 /nfs/dbraw/zinc/68/30/62/372683062.db2.gz HBCAXGBUHCIDRL-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP C[C@@H]1C[C@H](C)[NH+](CC#CC[N@H+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000556497924 384414865 /nfs/dbraw/zinc/41/48/65/384414865.db2.gz RLIDPROBASSJSB-FZKCQIBNSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1C[C@H](C)[N@H+](CC#CC[NH+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000556497924 384414874 /nfs/dbraw/zinc/41/48/74/384414874.db2.gz RLIDPROBASSJSB-FZKCQIBNSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1C[C@H](C)[N@@H+](CC#CC[NH+]2C[C@@H](C)C[C@@H]2C)C1 ZINC000556497924 384414877 /nfs/dbraw/zinc/41/48/77/384414877.db2.gz RLIDPROBASSJSB-FZKCQIBNSA-N 2 1 248.414 2.450 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000313510003 384441333 /nfs/dbraw/zinc/44/13/33/384441333.db2.gz ZQNREESWBVUVJL-YNEHKIRRSA-N 2 1 210.365 2.271 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000161678632 385443685 /nfs/dbraw/zinc/44/36/85/385443685.db2.gz RUOCIDQGACYFNZ-YVECIDJPSA-N 2 1 210.365 2.269 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(C)C2)CC1 ZINC000184348873 385623906 /nfs/dbraw/zinc/62/39/06/385623906.db2.gz JFDRXAHENKHHEK-UHFFFAOYSA-N 2 1 222.376 2.415 20 30 BEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(C)(C)C#N)C2 ZINC000595505259 385631844 /nfs/dbraw/zinc/63/18/44/385631844.db2.gz RJJIBBDDUVWVTH-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(C)(C)C#N)C2 ZINC000595505259 385631848 /nfs/dbraw/zinc/63/18/48/385631848.db2.gz RJJIBBDDUVWVTH-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(C)(C)C#N)C2 ZINC000595505259 385631853 /nfs/dbraw/zinc/63/18/53/385631853.db2.gz RJJIBBDDUVWVTH-OAHLLOKOSA-N 2 1 249.402 2.344 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000165302831 385981440 /nfs/dbraw/zinc/98/14/40/385981440.db2.gz STWYUAIXZYTTDK-GFCCVEGCSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647879488 386181042 /nfs/dbraw/zinc/18/10/42/386181042.db2.gz ARVRAVATHAVBNB-HNNXBMFYSA-N 2 1 230.355 2.284 20 30 BEEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647879488 386181048 /nfs/dbraw/zinc/18/10/48/386181048.db2.gz ARVRAVATHAVBNB-HNNXBMFYSA-N 2 1 230.355 2.284 20 30 BEEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414752688 386384913 /nfs/dbraw/zinc/38/49/13/386384913.db2.gz CIMQSISUUGPSOO-MGPQQGTHSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453307726 386389334 /nfs/dbraw/zinc/38/93/34/386389334.db2.gz CASQIBGKNLPKKM-BFHYXJOUSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000414757854 386404962 /nfs/dbraw/zinc/40/49/62/386404962.db2.gz LWLUXHYNQADEFE-CHWSQXEVSA-N 2 1 210.365 2.400 20 30 BEEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000414757854 386404969 /nfs/dbraw/zinc/40/49/69/386404969.db2.gz LWLUXHYNQADEFE-CHWSQXEVSA-N 2 1 210.365 2.400 20 30 BEEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975491 386566231 /nfs/dbraw/zinc/56/62/31/386566231.db2.gz BASDXGHJPFXNOW-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192925403 386797904 /nfs/dbraw/zinc/79/79/04/386797904.db2.gz PEEOTMZFTIAIFQ-KBPBESRZSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192925403 386797909 /nfs/dbraw/zinc/79/79/09/386797909.db2.gz PEEOTMZFTIAIFQ-KBPBESRZSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187061 386850749 /nfs/dbraw/zinc/85/07/49/386850749.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187061 386850754 /nfs/dbraw/zinc/85/07/54/386850754.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645187061 386850757 /nfs/dbraw/zinc/85/07/57/386850757.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645187061 386850762 /nfs/dbraw/zinc/85/07/62/386850762.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CCSCC[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395090427 386856400 /nfs/dbraw/zinc/85/64/00/386856400.db2.gz UKRYXMVGAVRFLH-VXGBXAGGSA-N 2 1 228.405 2.026 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@](C)(CC)OC)CC1 ZINC000638524651 386857414 /nfs/dbraw/zinc/85/74/14/386857414.db2.gz QJXZHJKZCUKRKB-AWEZNQCLSA-N 2 1 240.391 2.042 20 30 BEEDMP CCN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](C)C#N ZINC000228756645 387124036 /nfs/dbraw/zinc/12/40/36/387124036.db2.gz WHZHWKPDYDOELD-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP C=CCC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccco1 ZINC000423303614 387138150 /nfs/dbraw/zinc/13/81/50/387138150.db2.gz MBTFULFRTSQSKA-GFCCVEGCSA-N 2 1 220.316 2.096 20 30 BEEDMP C=CCC[C@H](CC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502001 387356628 /nfs/dbraw/zinc/35/66/28/387356628.db2.gz VQCRLGDNVSNLJI-QWHCGFSZSA-N 2 1 210.365 2.463 20 30 BEEDMP C=C(C)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000274786452 387492476 /nfs/dbraw/zinc/49/24/76/387492476.db2.gz AXKHZBQSFIIKRX-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=C(C)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000274786452 387492484 /nfs/dbraw/zinc/49/24/84/387492484.db2.gz AXKHZBQSFIIKRX-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442798400 387842911 /nfs/dbraw/zinc/84/29/11/387842911.db2.gz WXCOEMIHOKPWOQ-BNOWGMLFSA-N 2 1 246.358 2.110 20 30 BEEDMP N#CCCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423027033 387844496 /nfs/dbraw/zinc/84/44/96/387844496.db2.gz CRZKSWRWQYHBAM-CHWSQXEVSA-N 2 1 215.300 2.025 20 30 BEEDMP C[C@H]([NH2+]CC(C)(C)CCC#N)c1c[nH+]ccc1N ZINC000423119911 387901614 /nfs/dbraw/zinc/90/16/14/387901614.db2.gz FUBXYTYDLBUHPI-NSHDSACASA-N 2 1 246.358 2.475 20 30 BEEDMP C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423188630 387973096 /nfs/dbraw/zinc/97/30/96/387973096.db2.gz LVOUIUSPYFWCRE-CHWSQXEVSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420403773 388000137 /nfs/dbraw/zinc/00/01/37/388000137.db2.gz RPJFUMDHACMGPY-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000447539203 388076692 /nfs/dbraw/zinc/07/66/92/388076692.db2.gz FUQCGXBMLLHQOB-QPSCCSFWSA-N 2 1 247.386 2.285 20 30 BEEDMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449108452 388143668 /nfs/dbraw/zinc/14/36/68/388143668.db2.gz QVYVWTJKSDVNEG-UHFFFAOYSA-N 2 1 246.358 2.254 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000449446973 388208839 /nfs/dbraw/zinc/20/88/39/388208839.db2.gz VBXZIDDJEQNFSP-QPSCCSFWSA-N 2 1 249.402 2.389 20 30 BEEDMP C#CC[N@@H+](CCn1cc[nH+]c1C)C1CCCC1 ZINC000491667877 388309685 /nfs/dbraw/zinc/30/96/85/388309685.db2.gz YBHVWNMZQQUQOM-UHFFFAOYSA-N 2 1 231.343 2.069 20 30 BEEDMP C#CC[N@H+](CCn1cc[nH+]c1C)C1CCCC1 ZINC000491667877 388309686 /nfs/dbraw/zinc/30/96/86/388309686.db2.gz YBHVWNMZQQUQOM-UHFFFAOYSA-N 2 1 231.343 2.069 20 30 BEEDMP C#CC[N@H+](Cc1ccnc(N)c1)C1CCCCC1 ZINC000491821275 388324040 /nfs/dbraw/zinc/32/40/40/388324040.db2.gz UYUYDLVBENDCOI-UHFFFAOYSA-N 2 1 243.354 2.262 20 30 BEEDMP C=CCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308636970 388445836 /nfs/dbraw/zinc/44/58/36/388445836.db2.gz SIANKTVBYPBREA-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000552100478 388668998 /nfs/dbraw/zinc/66/89/98/388668998.db2.gz JZYKYHKBNFSZBN-MJBXVCDLSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000552100478 388668999 /nfs/dbraw/zinc/66/89/99/388668999.db2.gz JZYKYHKBNFSZBN-MJBXVCDLSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000530213647 388628760 /nfs/dbraw/zinc/62/87/60/388628760.db2.gz ULVYVXYIZCPJSY-NEPJUHHUSA-N 2 1 210.365 2.176 20 30 BEEDMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000519138269 388664835 /nfs/dbraw/zinc/66/48/35/388664835.db2.gz NJXOAHPSJWKQSF-LLVKDONJSA-N 2 1 249.333 2.348 20 30 BEEDMP C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644183 388745507 /nfs/dbraw/zinc/74/55/07/388745507.db2.gz KUEJTBJIJDVPCY-VXGBXAGGSA-N 2 1 247.342 2.066 20 30 BEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423279454 388689098 /nfs/dbraw/zinc/68/90/98/388689098.db2.gz RYALCSGGYZSOID-IINYFYTJSA-N 2 1 249.333 2.331 20 30 BEEDMP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313906 388691557 /nfs/dbraw/zinc/69/15/57/388691557.db2.gz GIPMZPXURCWUOY-HUUCEWRRSA-N 2 1 243.354 2.336 20 30 BEEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000129344945 388833536 /nfs/dbraw/zinc/83/35/36/388833536.db2.gz QTRRZGYYUOGORG-OLZOCXBDSA-N 2 1 242.432 2.226 20 30 BEEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565784081 388970127 /nfs/dbraw/zinc/97/01/27/388970127.db2.gz SEUSEDFOGWMYGH-UHFFFAOYSA-N 2 1 219.332 2.003 20 30 BEEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)C1CC1 ZINC000565784081 388970130 /nfs/dbraw/zinc/97/01/30/388970130.db2.gz SEUSEDFOGWMYGH-UHFFFAOYSA-N 2 1 219.332 2.003 20 30 BEEDMP C=C(C)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337272706 533484744 /nfs/dbraw/zinc/48/47/44/533484744.db2.gz OQEFXCDQRLLDRK-UHFFFAOYSA-N 2 1 210.365 2.370 20 30 BEEDMP C=C(C)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000352043232 533485414 /nfs/dbraw/zinc/48/54/14/533485414.db2.gz BIXBYYNXFULFTL-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000352043232 533485418 /nfs/dbraw/zinc/48/54/18/533485418.db2.gz BIXBYYNXFULFTL-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000352043232 533485423 /nfs/dbraw/zinc/48/54/23/533485423.db2.gz BIXBYYNXFULFTL-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C[N@@H+]1CCCC12CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000335967934 134028787 /nfs/dbraw/zinc/02/87/87/134028787.db2.gz OPYUJLGSPUJDES-KBPBESRZSA-N 2 1 247.386 2.239 20 30 BEEDMP C[N@H+]1CCCC12CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000335967934 134028788 /nfs/dbraw/zinc/02/87/88/134028788.db2.gz OPYUJLGSPUJDES-KBPBESRZSA-N 2 1 247.386 2.239 20 30 BEEDMP CC[N@H+](CCCCn1cc[nH+]c1C)C[C@@H](C)C#N ZINC000120462319 134229665 /nfs/dbraw/zinc/22/96/65/134229665.db2.gz UFTVNPUDOQWTJO-ZDUSSCGKSA-N 2 1 248.374 2.453 20 30 BEEDMP CC[N@@H+](CCCCn1cc[nH+]c1C)C[C@@H](C)C#N ZINC000120462319 134229666 /nfs/dbraw/zinc/22/96/66/134229666.db2.gz UFTVNPUDOQWTJO-ZDUSSCGKSA-N 2 1 248.374 2.453 20 30 BEEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000227353400 134378729 /nfs/dbraw/zinc/37/87/29/134378729.db2.gz DMMHBIXHXJSDJL-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000227353400 134378730 /nfs/dbraw/zinc/37/87/30/134378730.db2.gz DMMHBIXHXJSDJL-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248760164 135021532 /nfs/dbraw/zinc/02/15/32/135021532.db2.gz GMCGZXAMTSWNKG-MJBXVCDLSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248760164 135021533 /nfs/dbraw/zinc/02/15/33/135021533.db2.gz GMCGZXAMTSWNKG-MJBXVCDLSA-N 2 1 237.391 2.389 20 30 BEEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500248 135087296 /nfs/dbraw/zinc/08/72/96/135087296.db2.gz LTKCOCDKOQANNE-SNVBAGLBSA-N 2 1 237.372 2.050 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000253310468 135126285 /nfs/dbraw/zinc/12/62/85/135126285.db2.gz UINZFCOQXLQDJF-QWHCGFSZSA-N 2 1 237.391 2.246 20 30 BEEDMP N#CC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000343153523 135366335 /nfs/dbraw/zinc/36/63/35/135366335.db2.gz ZXARRYOTWYULEG-UHFFFAOYSA-N 2 1 247.386 2.098 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000334393857 135385546 /nfs/dbraw/zinc/38/55/46/135385546.db2.gz BEJSPEUJLQHSRD-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334393857 135385548 /nfs/dbraw/zinc/38/55/48/135385548.db2.gz BEJSPEUJLQHSRD-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000334393857 135385550 /nfs/dbraw/zinc/38/55/50/135385550.db2.gz BEJSPEUJLQHSRD-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP N#Cc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000335564246 136106948 /nfs/dbraw/zinc/10/69/48/136106948.db2.gz ZIMNBMWLRWPLDK-LSDHHAIUSA-N 2 1 243.354 2.308 20 30 BEEDMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623234 397993655 /nfs/dbraw/zinc/99/36/55/397993655.db2.gz KLBZAJHKAGYDPK-CQSZACIVSA-N 2 1 237.391 2.344 20 30 BEEDMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623234 397993658 /nfs/dbraw/zinc/99/36/58/397993658.db2.gz KLBZAJHKAGYDPK-CQSZACIVSA-N 2 1 237.391 2.344 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000221938522 398080727 /nfs/dbraw/zinc/08/07/27/398080727.db2.gz QTRRZGYYUOGORG-QWHCGFSZSA-N 2 1 242.432 2.226 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275475075 166292588 /nfs/dbraw/zinc/29/25/88/166292588.db2.gz HXYVFEXCIHJCIS-OLZOCXBDSA-N 2 1 233.359 2.390 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404370505 411392135 /nfs/dbraw/zinc/39/21/35/411392135.db2.gz QUIFADDCQXXXQC-OLZOCXBDSA-N 2 1 210.365 2.402 20 30 BEEDMP CC[C@H](C)[NH+](C)CC#CC[N@H+](C)[C@@H](C)CC ZINC000341893685 171304410 /nfs/dbraw/zinc/30/44/10/171304410.db2.gz RXZDKGBVTWEHHV-KBPBESRZSA-N 2 1 224.392 2.450 20 30 BEEDMP C=CCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295931 412084361 /nfs/dbraw/zinc/08/43/61/412084361.db2.gz IWGQHMKMPWDROE-CQSZACIVSA-N 2 1 222.376 2.274 20 30 BEEDMP CC[C@@H](C)[NH+](C)CC#CC[N@H+](C)[C@@H](C)CC ZINC000341893686 171305221 /nfs/dbraw/zinc/30/52/21/171305221.db2.gz RXZDKGBVTWEHHV-OKILXGFUSA-N 2 1 224.392 2.450 20 30 BEEDMP CC[C@@H](C)[N@@H+](C)CC#CC[NH+](C)[C@@H](C)CC ZINC000341893686 171305222 /nfs/dbraw/zinc/30/52/22/171305222.db2.gz RXZDKGBVTWEHHV-OKILXGFUSA-N 2 1 224.392 2.450 20 30 BEEDMP CC[C@@H](C)[N@H+](C)CC#CC[NH+](C)[C@@H](C)CC ZINC000341893686 171305223 /nfs/dbraw/zinc/30/52/23/171305223.db2.gz RXZDKGBVTWEHHV-OKILXGFUSA-N 2 1 224.392 2.450 20 30 BEEDMP C[N@@H+](CCC(C)(C)C#N)C[C@H]1CCC[NH+](C)C1 ZINC000119662091 173038052 /nfs/dbraw/zinc/03/80/52/173038052.db2.gz VPRLAGIPAHZQEP-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+](CCC(C)(C)C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000119662091 173038053 /nfs/dbraw/zinc/03/80/53/173038053.db2.gz VPRLAGIPAHZQEP-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+](CCC(C)(C)C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000119662091 173038055 /nfs/dbraw/zinc/03/80/55/173038055.db2.gz VPRLAGIPAHZQEP-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000308900317 487693011 /nfs/dbraw/zinc/69/30/11/487693011.db2.gz BEPZYWSQXWCFHW-UTUOFQBUSA-N 2 1 228.767 2.201 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000308900317 487693014 /nfs/dbraw/zinc/69/30/14/487693014.db2.gz BEPZYWSQXWCFHW-UTUOFQBUSA-N 2 1 228.767 2.201 20 30 BEEDMP C=CC[C@H]1[N@H+](CCC[NH3+])CCCC1(C)C ZINC000414756457 487821232 /nfs/dbraw/zinc/82/12/32/487821232.db2.gz JPNYANFGZVZZTE-GFCCVEGCSA-N 2 1 210.365 2.402 20 30 BEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000563367510 323121452 /nfs/dbraw/zinc/12/14/52/323121452.db2.gz YVQBMWDFFWOTBO-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000563367510 323121453 /nfs/dbraw/zinc/12/14/53/323121453.db2.gz YVQBMWDFFWOTBO-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000563367510 323121454 /nfs/dbraw/zinc/12/14/54/323121454.db2.gz YVQBMWDFFWOTBO-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000563367510 323121455 /nfs/dbraw/zinc/12/14/55/323121455.db2.gz YVQBMWDFFWOTBO-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000563367510 323121456 /nfs/dbraw/zinc/12/14/56/323121456.db2.gz YVQBMWDFFWOTBO-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)CCC ZINC000328203997 324237995 /nfs/dbraw/zinc/23/79/95/324237995.db2.gz UJQAUTVMIHAONA-ZDUSSCGKSA-N 2 1 210.365 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)CCC ZINC000328203997 324238000 /nfs/dbraw/zinc/23/80/00/324238000.db2.gz UJQAUTVMIHAONA-ZDUSSCGKSA-N 2 1 210.365 2.110 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135151418 325397437 /nfs/dbraw/zinc/39/74/37/325397437.db2.gz ZDVFQNXWJWIZBR-CYBMUJFWSA-N 2 1 237.391 2.248 20 30 BEEDMP Cn1c[nH+]cc1CCCN(CC#N)C1CCCC1 ZINC000314345643 326297937 /nfs/dbraw/zinc/29/79/37/326297937.db2.gz KTQDMIAAXTWARH-UHFFFAOYSA-N 2 1 246.358 2.121 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000677479056 488047955 /nfs/dbraw/zinc/04/79/55/488047955.db2.gz IWKMVSXWFMFQBB-GFCCVEGCSA-N 2 1 231.343 2.391 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678219386 488219635 /nfs/dbraw/zinc/21/96/35/488219635.db2.gz BWLUZQBGLGELTH-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678219386 488219638 /nfs/dbraw/zinc/21/96/38/488219638.db2.gz BWLUZQBGLGELTH-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309028874 534694701 /nfs/dbraw/zinc/69/47/01/534694701.db2.gz AAPZGGRKUCUXJE-STQMWFEESA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252841042 534723240 /nfs/dbraw/zinc/72/32/40/534723240.db2.gz BXFONFXOCIWYQQ-RWMBFGLXSA-N 2 1 208.349 2.012 20 30 BEEDMP C=CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000338548458 534769522 /nfs/dbraw/zinc/76/95/22/534769522.db2.gz YTTFIWLIDQXMHX-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000338548458 534769524 /nfs/dbraw/zinc/76/95/24/534769524.db2.gz YTTFIWLIDQXMHX-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000338548458 534769527 /nfs/dbraw/zinc/76/95/27/534769527.db2.gz YTTFIWLIDQXMHX-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCCCC#N)CC1 ZINC000370664542 536138333 /nfs/dbraw/zinc/13/83/33/536138333.db2.gz IANBIRYCVFYWOA-ZDUSSCGKSA-N 2 1 223.364 2.096 20 30 BEEDMP C=C[C@@H]1CCCC[N@@H+]1CC1CC[NH+](C)CC1 ZINC000894092137 583299901 /nfs/dbraw/zinc/29/99/01/583299901.db2.gz XRLKPMUXHCKMJK-CQSZACIVSA-N 2 1 222.376 2.369 20 30 BEEDMP Cc1cc(C[NH2+]CC[C@@H](C)[NH+](C)C)ccc1C#N ZINC000895294382 583638399 /nfs/dbraw/zinc/63/83/99/583638399.db2.gz PNTZVTFGSFVQAT-CYBMUJFWSA-N 2 1 245.370 2.297 20 30 BEEDMP C[C@@H](CCC#N)C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307757 584109776 /nfs/dbraw/zinc/10/97/76/584109776.db2.gz GNMWVILOMCGQNS-ZDUSSCGKSA-N 2 1 239.407 2.446 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCC[NH2+]2)C1 ZINC000902482143 584623888 /nfs/dbraw/zinc/62/38/88/584623888.db2.gz JPOYHLAELHXKSF-RDBSUJKOSA-N 2 1 235.375 2.191 20 30 BEEDMP CC(C)[C@](C)(C[NH3+])[NH2+]CC1CCC(C#N)CC1 ZINC000903427325 584761615 /nfs/dbraw/zinc/76/16/15/584761615.db2.gz WGRWXLVSIYDBNP-RUXDESIVSA-N 2 1 237.391 2.279 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903424879 584765385 /nfs/dbraw/zinc/76/53/85/584765385.db2.gz KBZGHCBPTGSWJN-CVSAEHQPSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903424879 584765386 /nfs/dbraw/zinc/76/53/86/584765386.db2.gz KBZGHCBPTGSWJN-CVSAEHQPSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000903459328 584766158 /nfs/dbraw/zinc/76/61/58/584766158.db2.gz GUPFBOFXQSNFAC-NRXISQOPSA-N 2 1 247.386 2.144 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000903459328 584766159 /nfs/dbraw/zinc/76/61/59/584766159.db2.gz GUPFBOFXQSNFAC-NRXISQOPSA-N 2 1 247.386 2.144 20 30 BEEDMP N#CC1CCC(C[NH+]2CCC3(CC[NH2+]3)CC2)CC1 ZINC000903460182 584766738 /nfs/dbraw/zinc/76/67/38/584766738.db2.gz ZHIARFSYMUXVRT-UHFFFAOYSA-N 2 1 247.386 2.144 20 30 BEEDMP CC[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1[NH3+] ZINC000903450176 584772333 /nfs/dbraw/zinc/77/23/33/584772333.db2.gz OOKIZFIKQKTMEM-NEXFUWMNSA-N 2 1 249.402 2.376 20 30 BEEDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CC1CCC(C#N)CC1 ZINC000903454802 584773507 /nfs/dbraw/zinc/77/35/07/584773507.db2.gz JZLASXAQZGNAPH-BPCQOVAHSA-N 2 1 237.391 2.279 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000903476198 584777265 /nfs/dbraw/zinc/77/72/65/584777265.db2.gz QDWPZDUMQGPMGF-CVSAEHQPSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000903476198 584777267 /nfs/dbraw/zinc/77/72/67/584777267.db2.gz QDWPZDUMQGPMGF-CVSAEHQPSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1(CCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000903748095 584794717 /nfs/dbraw/zinc/79/47/17/584794717.db2.gz YUGGTBYEPJCLJY-OKILXGFUSA-N 2 1 247.386 2.002 20 30 BEEDMP C[N@@H+](CCCCC1(C#N)CCC1)C1CC([NH3+])C1 ZINC000903749919 584795044 /nfs/dbraw/zinc/79/50/44/584795044.db2.gz SCURLLXUKFJGAO-UHFFFAOYSA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H]1[NH3+] ZINC000903751251 584795763 /nfs/dbraw/zinc/79/57/63/584795763.db2.gz HHUDOUWOHHWWHH-CHWSQXEVSA-N 2 1 235.375 2.130 20 30 BEEDMP C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1[NH3+] ZINC000903751251 584795764 /nfs/dbraw/zinc/79/57/64/584795764.db2.gz HHUDOUWOHHWWHH-CHWSQXEVSA-N 2 1 235.375 2.130 20 30 BEEDMP C[NH2+]CCC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000903761514 584797639 /nfs/dbraw/zinc/79/76/39/584797639.db2.gz VHFCNXDWBSPXBU-UHFFFAOYSA-N 2 1 237.391 2.392 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@H]3CC[C@]32CN)CC1 ZINC000903856583 584808657 /nfs/dbraw/zinc/80/86/57/584808657.db2.gz AEJSQFAWQPZAHM-CVSAEHQPSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903856583 584808659 /nfs/dbraw/zinc/80/86/59/584808659.db2.gz AEJSQFAWQPZAHM-CVSAEHQPSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@H]3CC[C@]32C[NH3+])CC1 ZINC000903856583 584808661 /nfs/dbraw/zinc/80/86/61/584808661.db2.gz AEJSQFAWQPZAHM-CVSAEHQPSA-N 2 1 247.386 2.130 20 30 BEEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000766903567 585510895 /nfs/dbraw/zinc/51/08/95/585510895.db2.gz SLHAAIHHDPUXBY-KBPBESRZSA-N 2 1 222.376 2.204 20 30 BEEDMP C#CC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000769110966 585549341 /nfs/dbraw/zinc/54/93/41/585549341.db2.gz KTCSXULHKOEKBJ-UHFFFAOYSA-N 2 1 230.355 2.203 20 30 BEEDMP C=C(Cl)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815146273 586670475 /nfs/dbraw/zinc/67/04/75/586670475.db2.gz PJPGABGJOPWGOP-GFCCVEGCSA-N 2 1 228.767 2.157 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000815652836 586690870 /nfs/dbraw/zinc/69/08/70/586690870.db2.gz WJBOGWVQDJAYSJ-CABCVRRESA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000815652836 586690871 /nfs/dbraw/zinc/69/08/71/586690871.db2.gz WJBOGWVQDJAYSJ-CABCVRRESA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[C@@H]1CCC[N@H+](CCC[NH+](CC)CC)C1 ZINC000829809714 587518511 /nfs/dbraw/zinc/51/85/11/587518511.db2.gz FIMCEMMRAYVGRV-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](CC=C)C1 ZINC000846172609 588259171 /nfs/dbraw/zinc/25/91/71/588259171.db2.gz ZNYCSTGQTYAYLO-LSDHHAIUSA-N 2 1 234.387 2.276 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](CC=C)C1 ZINC000846172609 588259172 /nfs/dbraw/zinc/25/91/72/588259172.db2.gz ZNYCSTGQTYAYLO-LSDHHAIUSA-N 2 1 234.387 2.276 20 30 BEEDMP C=CCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703548 589513510 /nfs/dbraw/zinc/51/35/10/589513510.db2.gz JSANTGQDHJTBDC-CYBMUJFWSA-N 2 1 210.365 2.259 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000872140446 589881043 /nfs/dbraw/zinc/88/10/43/589881043.db2.gz NRIITCQQJZOZSE-AJNGGQMLSA-N 2 1 234.387 2.251 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000872140446 589881045 /nfs/dbraw/zinc/88/10/45/589881045.db2.gz NRIITCQQJZOZSE-AJNGGQMLSA-N 2 1 234.387 2.251 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000878167274 590514043 /nfs/dbraw/zinc/51/40/43/590514043.db2.gz RJIFTTGCKZRPAP-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167274 590514046 /nfs/dbraw/zinc/51/40/46/590514046.db2.gz RJIFTTGCKZRPAP-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000878167274 590514047 /nfs/dbraw/zinc/51/40/47/590514047.db2.gz RJIFTTGCKZRPAP-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000878652625 590602550 /nfs/dbraw/zinc/60/25/50/590602550.db2.gz SKWIQHMMNYEJMO-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000878652625 590602552 /nfs/dbraw/zinc/60/25/52/590602552.db2.gz SKWIQHMMNYEJMO-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000878652625 590602554 /nfs/dbraw/zinc/60/25/54/590602554.db2.gz SKWIQHMMNYEJMO-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C#CCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259908 590980415 /nfs/dbraw/zinc/98/04/15/590980415.db2.gz LJVJRVXSZXNGCV-CQSZACIVSA-N 2 1 243.354 2.006 20 30 BEEDMP C#CC[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000886356140 592216542 /nfs/dbraw/zinc/21/65/42/592216542.db2.gz UORNHUKWJDNWQT-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000886356140 592216544 /nfs/dbraw/zinc/21/65/44/592216544.db2.gz UORNHUKWJDNWQT-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000886356140 592216546 /nfs/dbraw/zinc/21/65/46/592216546.db2.gz UORNHUKWJDNWQT-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886876110 592379470 /nfs/dbraw/zinc/37/94/70/592379470.db2.gz IZTXJGOFTRIEFW-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[C@@H]1CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000934460324 631854294 /nfs/dbraw/zinc/85/42/94/631854294.db2.gz LGESPNYPDQRIOA-CHWSQXEVSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@@H]1CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000934460324 631854299 /nfs/dbraw/zinc/85/42/99/631854299.db2.gz LGESPNYPDQRIOA-CHWSQXEVSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000934460324 631854304 /nfs/dbraw/zinc/85/43/04/631854304.db2.gz LGESPNYPDQRIOA-CHWSQXEVSA-N 2 1 208.349 2.121 20 30 BEEDMP CC(C)(CCC#N)C[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926426880 632000898 /nfs/dbraw/zinc/00/08/98/632000898.db2.gz SDKYIVWGQXYRPC-QWHCGFSZSA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)(CCC#N)C[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926426880 632000907 /nfs/dbraw/zinc/00/09/07/632000907.db2.gz SDKYIVWGQXYRPC-QWHCGFSZSA-N 2 1 235.375 2.000 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC1CCC1 ZINC000328101938 633237455 /nfs/dbraw/zinc/23/74/55/633237455.db2.gz LJXUDVZHVNQAEK-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC1CCC1 ZINC000328101938 633237463 /nfs/dbraw/zinc/23/74/63/633237463.db2.gz LJXUDVZHVNQAEK-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000328258337 633748256 /nfs/dbraw/zinc/74/82/56/633748256.db2.gz KUWVQHYNBWIKBL-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000328258337 633748260 /nfs/dbraw/zinc/74/82/60/633748260.db2.gz KUWVQHYNBWIKBL-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670937 634254953 /nfs/dbraw/zinc/25/49/53/634254953.db2.gz AWSINOLQQRCJBB-RYUDHWBXSA-N 2 1 223.364 2.046 20 30 BEEDMP C#CCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176716 636607324 /nfs/dbraw/zinc/60/73/24/636607324.db2.gz ACCLUOSAQKLRNQ-UHFFFAOYSA-N 2 1 234.387 2.208 20 30 BEEDMP CCCCCCCC[N@@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000149475568 638501575 /nfs/dbraw/zinc/50/15/75/638501575.db2.gz KTGAMBNLMBWENV-ZIAGYGMSSA-N 2 1 242.407 2.395 20 30 BEEDMP CCCCCCCC[N@H+]1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000149475568 638501583 /nfs/dbraw/zinc/50/15/83/638501583.db2.gz KTGAMBNLMBWENV-ZIAGYGMSSA-N 2 1 242.407 2.395 20 30 BEEDMP C#CC[N@@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000932388682 640517160 /nfs/dbraw/zinc/51/71/60/640517160.db2.gz SHYGOAGYPOCHRR-UHFFFAOYSA-N 2 1 222.376 2.206 20 30 BEEDMP C#CC[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000932388682 640517166 /nfs/dbraw/zinc/51/71/66/640517166.db2.gz SHYGOAGYPOCHRR-UHFFFAOYSA-N 2 1 222.376 2.206 20 30 BEEDMP C=CCCC[N@H+](CC)C[C@H]1CCC[NH2+]C1 ZINC000233441984 642672047 /nfs/dbraw/zinc/67/20/47/642672047.db2.gz NKZUKTOVRRYQIP-ZDUSSCGKSA-N 2 1 210.365 2.274 20 30 BEEDMP C=CCCC[N@H+](CC)C[C@@H]1CCC[NH2+]C1 ZINC000233441939 642673250 /nfs/dbraw/zinc/67/32/50/642673250.db2.gz NKZUKTOVRRYQIP-CYBMUJFWSA-N 2 1 210.365 2.274 20 30 BEEDMP C=C(Cl)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000306592187 643188422 /nfs/dbraw/zinc/18/84/22/643188422.db2.gz WFPZTPXRHWPUEI-MIMYLULJSA-N 2 1 216.756 2.044 20 30 BEEDMP C=C(Cl)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000306592187 643188427 /nfs/dbraw/zinc/18/84/27/643188427.db2.gz WFPZTPXRHWPUEI-MIMYLULJSA-N 2 1 216.756 2.044 20 30 BEEDMP C#CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000070160793 643454464 /nfs/dbraw/zinc/45/44/64/643454464.db2.gz AKHAZCYWCTWTAJ-UHFFFAOYSA-N 2 1 242.366 2.264 20 30 BEEDMP C=CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529946 644486466 /nfs/dbraw/zinc/48/64/66/644486466.db2.gz FNJBSUYRTRKCEF-CHWSQXEVSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529946 644486473 /nfs/dbraw/zinc/48/64/73/644486473.db2.gz FNJBSUYRTRKCEF-CHWSQXEVSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529948 644487000 /nfs/dbraw/zinc/48/70/00/644487000.db2.gz FNJBSUYRTRKCEF-QWHCGFSZSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529948 644487003 /nfs/dbraw/zinc/48/70/03/644487003.db2.gz FNJBSUYRTRKCEF-QWHCGFSZSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529947 644487639 /nfs/dbraw/zinc/48/76/39/644487639.db2.gz FNJBSUYRTRKCEF-OLZOCXBDSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529947 644487643 /nfs/dbraw/zinc/48/76/43/644487643.db2.gz FNJBSUYRTRKCEF-OLZOCXBDSA-N 2 1 208.349 2.169 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000246382225 644584494 /nfs/dbraw/zinc/58/44/94/644584494.db2.gz KDKIMYSNSSLFPC-KGLIPLIRSA-N 2 1 220.360 2.006 20 30 BEEDMP C#CC(C)(C)[NH+](C)C/C=C\C[N@H+](C)C(C)(C)C#C ZINC000794574399 644804004 /nfs/dbraw/zinc/80/40/04/644804004.db2.gz GSJCKGGSAMAZHF-QXMHVHEDSA-N 2 1 246.398 2.230 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1sccc1C ZINC000381980203 710763291 /nfs/dbraw/zinc/76/32/91/710763291.db2.gz FBLMBPBKLZYICP-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1sccc1C ZINC000381980203 710763293 /nfs/dbraw/zinc/76/32/93/710763293.db2.gz FBLMBPBKLZYICP-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(CC)cc1 ZINC000394079608 711182465 /nfs/dbraw/zinc/18/24/65/711182465.db2.gz ODFMQYLMRROWGQ-UHFFFAOYSA-N 2 1 244.382 2.294 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(CC)cc1 ZINC000394079608 711182467 /nfs/dbraw/zinc/18/24/67/711182467.db2.gz ODFMQYLMRROWGQ-UHFFFAOYSA-N 2 1 244.382 2.294 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000383082142 710952349 /nfs/dbraw/zinc/95/23/49/710952349.db2.gz UIGAADMMIZFKRJ-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000383082142 710952351 /nfs/dbraw/zinc/95/23/51/710952351.db2.gz UIGAADMMIZFKRJ-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000385080696 711004113 /nfs/dbraw/zinc/00/41/13/711004113.db2.gz FGOZHZDCOKMFSC-CYBMUJFWSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000385080696 711004115 /nfs/dbraw/zinc/00/41/15/711004115.db2.gz FGOZHZDCOKMFSC-CYBMUJFWSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723575272 711519203 /nfs/dbraw/zinc/51/92/03/711519203.db2.gz XKLYUPVPXOELEI-CQSZACIVSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723575272 711519204 /nfs/dbraw/zinc/51/92/04/711519204.db2.gz XKLYUPVPXOELEI-CQSZACIVSA-N 2 1 234.387 2.254 20 30 BEEDMP CCCCCCC[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313359799 711717781 /nfs/dbraw/zinc/71/77/81/711717781.db2.gz VTSZCFMPPHXDGZ-ZDUSSCGKSA-N 2 1 228.380 2.006 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703622336 712081468 /nfs/dbraw/zinc/08/14/68/712081468.db2.gz BHSQTZLQWLOXCX-FFHGMXDLSA-N 2 1 234.387 2.415 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000703645012 712083191 /nfs/dbraw/zinc/08/31/91/712083191.db2.gz ZKWKWJNJMOBZJU-HZSPNIEDSA-N 2 1 222.376 2.402 20 30 BEEDMP C=CC[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000705862678 712137666 /nfs/dbraw/zinc/13/76/66/712137666.db2.gz QRWZYAUMYSCNBY-QWRGUYRKSA-N 2 1 232.318 2.257 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000705862678 712137668 /nfs/dbraw/zinc/13/76/68/712137668.db2.gz QRWZYAUMYSCNBY-QWRGUYRKSA-N 2 1 232.318 2.257 20 30 BEEDMP C=CCCC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000720874251 712873531 /nfs/dbraw/zinc/87/35/31/712873531.db2.gz XFIBJZOLSGUGHL-UWVGGRQHSA-N 2 1 236.281 2.022 20 30 BEEDMP C=CC[NH+](CC=C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208608022 957095636 /nfs/dbraw/zinc/09/56/36/957095636.db2.gz FDZSSPXZZPKUHD-ZDUSSCGKSA-N 2 1 208.349 2.002 20 30 BEEDMP C=CC[NH+](CC=C)C[C@H]1CCC[N@H+](C)C1 ZINC001208608022 957095648 /nfs/dbraw/zinc/09/56/48/957095648.db2.gz FDZSSPXZZPKUHD-ZDUSSCGKSA-N 2 1 208.349 2.002 20 30 BEEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@H](C#N)CC1 ZINC001207282669 968715202 /nfs/dbraw/zinc/71/52/02/968715202.db2.gz MTNBLSVYVQWUGR-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001254504370 969676304 /nfs/dbraw/zinc/67/63/04/969676304.db2.gz UYRYTZHVQUGQGK-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]CC#CC(C)(C)C)CC1 ZINC001254510200 969682771 /nfs/dbraw/zinc/68/27/71/969682771.db2.gz SRYWKFLNHBEPSL-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C=C(C)C[N@H+](CC)[C@H]1CCC[NH+](C)CC1 ZINC001254524897 969719262 /nfs/dbraw/zinc/71/92/62/969719262.db2.gz DOAYHEOIEAFMCQ-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)[C@H]1CCC[N@H+](C)CC1 ZINC001254524897 969719272 /nfs/dbraw/zinc/71/92/72/969719272.db2.gz DOAYHEOIEAFMCQ-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)[C@H]1CCC[N@@H+](C)CC1 ZINC001254524897 969719279 /nfs/dbraw/zinc/71/92/79/969719279.db2.gz DOAYHEOIEAFMCQ-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000327981259 978003112 /nfs/dbraw/zinc/00/31/12/978003112.db2.gz AARKZOWEGNYSED-CYBMUJFWSA-N 2 1 224.392 2.213 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000327981259 978003123 /nfs/dbraw/zinc/00/31/23/978003123.db2.gz AARKZOWEGNYSED-CYBMUJFWSA-N 2 1 224.392 2.213 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025496 978954950 /nfs/dbraw/zinc/95/49/50/978954950.db2.gz CTWRGBOKSVBVIV-QWHCGFSZSA-N 2 1 210.365 2.251 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000686681544 1169110810 /nfs/dbraw/zinc/11/08/10/1169110810.db2.gz AJMNZXFIHUMRFE-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001172479713 974779094 /nfs/dbraw/zinc/77/90/94/974779094.db2.gz NUDRIPCVSALOLW-QWHCGFSZSA-N 2 1 223.364 2.000 20 30 BEEDMP C[N@H+]1CC[C@]2(CC[NH+](C3CCC(C#N)CC3)C2)C1 ZINC001256973525 971051543 /nfs/dbraw/zinc/05/15/43/971051543.db2.gz RJODLIWFGXKJLZ-NRXISQOPSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@]2(CC[N@@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256973525 971051554 /nfs/dbraw/zinc/05/15/54/971051554.db2.gz RJODLIWFGXKJLZ-NRXISQOPSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@]2(CC[N@H+](C3CCC(C#N)CC3)C2)C1 ZINC001256973525 971051567 /nfs/dbraw/zinc/05/15/67/971051567.db2.gz RJODLIWFGXKJLZ-NRXISQOPSA-N 2 1 247.386 2.096 20 30 BEEDMP C#C[C@](C)(CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257207899 971124219 /nfs/dbraw/zinc/12/42/19/971124219.db2.gz AJHDJKFJTZXNFM-CQSZACIVSA-N 2 1 222.376 2.251 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404313294 971150746 /nfs/dbraw/zinc/15/07/46/971150746.db2.gz XYGIKKZBVWSWFM-GXSJLCMTSA-N 2 1 216.756 2.188 20 30 BEEDMP C=C(Cl)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404313294 971150757 /nfs/dbraw/zinc/15/07/57/971150757.db2.gz XYGIKKZBVWSWFM-GXSJLCMTSA-N 2 1 216.756 2.188 20 30 BEEDMP C[C@H]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)C[NH2+]1 ZINC001246085818 972138603 /nfs/dbraw/zinc/13/86/03/972138603.db2.gz RZCMFMKOYRKGMS-ABXWRUBCSA-N 2 1 235.375 2.189 20 30 BEEDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001246119503 972183074 /nfs/dbraw/zinc/18/30/74/972183074.db2.gz VRFOCSVCFXXTRR-BLYZHGLHSA-N 2 1 235.375 2.046 20 30 BEEDMP C#CC[N@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001167833416 961181385 /nfs/dbraw/zinc/18/13/85/961181385.db2.gz BCCMJCDVQNTIMB-CYBMUJFWSA-N 2 1 210.365 2.062 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711193835 962651094 /nfs/dbraw/zinc/65/10/94/962651094.db2.gz MJNAWEJCXYCSEB-FICVDOATSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711193835 962651097 /nfs/dbraw/zinc/65/10/97/962651097.db2.gz MJNAWEJCXYCSEB-FICVDOATSA-N 2 1 234.387 2.110 20 30 BEEDMP Cc1[nH+]c(NCC[C@H]2CCC[NH2+]2)ccc1CC#N ZINC001158627643 963894973 /nfs/dbraw/zinc/89/49/73/963894973.db2.gz WXZOSMWFGCVYNR-CYBMUJFWSA-N 2 1 244.342 2.010 20 30 BEEDMP N#CC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168372402 964959806 /nfs/dbraw/zinc/95/98/06/964959806.db2.gz WPSDVHUUYNHGQF-UHFFFAOYSA-N 2 1 247.386 2.096 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+]C#C[Si](C)(C)C)C1 ZINC001165278093 966022644 /nfs/dbraw/zinc/02/26/44/966022644.db2.gz CPIDZUCRPUSGOA-CYBMUJFWSA-N 2 1 238.451 2.146 20 30 BEEDMP CCCCCCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235976951 966194439 /nfs/dbraw/zinc/19/44/39/966194439.db2.gz DLNOUTVSAILPNW-OLZOCXBDSA-N 2 1 210.365 2.380 20 30 BEEDMP N#CCc1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205117136 967363754 /nfs/dbraw/zinc/36/37/54/967363754.db2.gz LPCKYCIWADTHMR-OAHLLOKOSA-N 2 1 243.354 2.066 20 30 BEEDMP C[C@]1([NH3+])CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001205263886 967458154 /nfs/dbraw/zinc/45/81/54/967458154.db2.gz DVAODVNCHGFRRV-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001205263886 967458169 /nfs/dbraw/zinc/45/81/69/967458169.db2.gz DVAODVNCHGFRRV-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP C[NH+](C)CC(C)(C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001207286914 968718859 /nfs/dbraw/zinc/71/88/59/968718859.db2.gz WIJSAYDPWKLPIZ-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001207286914 968718864 /nfs/dbraw/zinc/71/88/64/968718864.db2.gz WIJSAYDPWKLPIZ-ZDUSSCGKSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+](C)CC(C)(C)C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001207282668 968719261 /nfs/dbraw/zinc/71/92/61/968719261.db2.gz MTNBLSVYVQWUGR-CYBMUJFWSA-N 2 1 237.391 2.200 20 30 BEEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001208113500 969005376 /nfs/dbraw/zinc/00/53/76/969005376.db2.gz KKOSCAWIXUVQCS-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CCC(C)(C[N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001208114153 969007476 /nfs/dbraw/zinc/00/74/76/969007476.db2.gz SMIDPWBWLXEPCV-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001169110168 969447524 /nfs/dbraw/zinc/44/75/24/969447524.db2.gz LDVFGZWCMODDLH-ZSOGYDGISA-N 2 1 234.387 2.251 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001169110168 969447528 /nfs/dbraw/zinc/44/75/28/969447528.db2.gz LDVFGZWCMODDLH-ZSOGYDGISA-N 2 1 234.387 2.251 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(CC#N)CC1)C2 ZINC001169142414 969456226 /nfs/dbraw/zinc/45/62/26/969456226.db2.gz UHVPZPYKUQWAIZ-FICVDOATSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(S)CC1)C2 ZINC001169144132 969461728 /nfs/dbraw/zinc/46/17/28/969461728.db2.gz JMRCMCCQRNHVAY-GDNZZTSVSA-N 2 1 240.416 2.006 20 30 BEEDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC(C)(C#N)CC1)C2 ZINC001169145603 969466622 /nfs/dbraw/zinc/46/66/22/969466622.db2.gz NBAYWPDNRJFXPS-WDNDVIMCSA-N 2 1 247.386 2.237 20 30 BEEDMP C#CC(CC)(CC)[NH2+]C1CC[NH+](CC)CC1 ZINC001169219007 969487401 /nfs/dbraw/zinc/48/74/01/969487401.db2.gz PSNCWQXFLDWDGA-UHFFFAOYSA-N 2 1 222.376 2.252 20 30 BEEDMP C#Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)CC2)c1 ZINC001254505275 969670340 /nfs/dbraw/zinc/67/03/40/969670340.db2.gz DWXQWOMKISASOY-INIZCTEOSA-N 2 1 242.366 2.242 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(CC#N)CC2)CC1 ZINC001254522452 969711684 /nfs/dbraw/zinc/71/16/84/969711684.db2.gz GEVBRGZUAZGLEJ-CQSZACIVSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001256197581 970692121 /nfs/dbraw/zinc/69/21/21/970692121.db2.gz LNHRAIZEYQLMKB-UHFFFAOYSA-N 2 1 247.386 2.287 20 30 BEEDMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771324 973087347 /nfs/dbraw/zinc/08/73/47/973087347.db2.gz YNYBPTTXKGCVSC-DOMZBBRYSA-N 2 1 243.354 2.131 20 30 BEEDMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771324 973087358 /nfs/dbraw/zinc/08/73/58/973087358.db2.gz YNYBPTTXKGCVSC-DOMZBBRYSA-N 2 1 243.354 2.131 20 30 BEEDMP C[NH+]1C(C)(C)CC([NH+]2CC(CC#N)C2)CC1(C)C ZINC001171629477 974108298 /nfs/dbraw/zinc/10/82/98/974108298.db2.gz SKYIUVRDBSAHNZ-UHFFFAOYSA-N 2 1 249.402 2.483 20 30 BEEDMP C#CC(C)(C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099326 974338439 /nfs/dbraw/zinc/33/84/39/974338439.db2.gz JIYTVKSWRBZQKI-CLLJXQQHSA-N 2 1 220.360 2.003 20 30 BEEDMP CC(C)[N@@H+](CCC[NH3+])[C@H](C)CCCC#N ZINC001172479271 974776594 /nfs/dbraw/zinc/77/65/94/974776594.db2.gz HVHRLZDZUDMJDY-GFCCVEGCSA-N 2 1 211.353 2.128 20 30 BEEDMP C[C@H](CCCC#N)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172484276 974786037 /nfs/dbraw/zinc/78/60/37/974786037.db2.gz ZVAHUPGZMQKEHQ-OLZOCXBDSA-N 2 1 223.364 2.143 20 30 BEEDMP Cc1[nH+]ccn1CC[NH2+]C1CCC(CC#N)CC1 ZINC001173324915 975273935 /nfs/dbraw/zinc/27/39/35/975273935.db2.gz ASQDNUMCHLMGSI-UHFFFAOYSA-N 2 1 246.358 2.254 20 30 BEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332713 975282011 /nfs/dbraw/zinc/28/20/11/975282011.db2.gz SCYVARUSDCUVQI-XSCHDIRWSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332713 975282019 /nfs/dbraw/zinc/28/20/19/975282019.db2.gz SCYVARUSDCUVQI-XSCHDIRWSA-N 2 1 249.402 2.389 20 30 BEEDMP CC[NH+]1CCC(C[N@@H+](CCC#N)CC2CC2)CC1 ZINC001180030459 978809390 /nfs/dbraw/zinc/80/93/90/978809390.db2.gz MGNCFSAURNAUIM-UHFFFAOYSA-N 2 1 249.402 2.344 20 30 BEEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC001234980319 978941430 /nfs/dbraw/zinc/94/14/30/978941430.db2.gz WHLQQIOFRVDFSN-OAGGEKHMSA-N 2 1 246.398 2.440 20 30 BEEDMP C[N@@H+]1CCC[C@@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277942770 979036321 /nfs/dbraw/zinc/03/63/21/979036321.db2.gz CNRGCMKATSSYEY-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCC#N)C2)C1 ZINC001277942770 979036328 /nfs/dbraw/zinc/03/63/28/979036328.db2.gz CNRGCMKATSSYEY-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCCC#N)C2)C1 ZINC001277942770 979036333 /nfs/dbraw/zinc/03/63/33/979036333.db2.gz CNRGCMKATSSYEY-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCC#N)C2)C1 ZINC001277942770 979036340 /nfs/dbraw/zinc/03/63/40/979036340.db2.gz CNRGCMKATSSYEY-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[C@@H]([NH3+])C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001236303554 979508860 /nfs/dbraw/zinc/50/88/60/979508860.db2.gz RPXOACKXGBXGNO-CQSZACIVSA-N 2 1 242.366 2.097 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380075 979878683 /nfs/dbraw/zinc/87/86/83/979878683.db2.gz FCWPAUYRWPNFTA-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237380076 979879422 /nfs/dbraw/zinc/87/94/22/979879422.db2.gz FCWPAUYRWPNFTA-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C#C[C@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238118728 980165563 /nfs/dbraw/zinc/16/55/63/980165563.db2.gz LKMICHAPJNRKND-ZDUSSCGKSA-N 2 1 239.322 2.180 20 30 BEEDMP C#C[C@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238118728 980165565 /nfs/dbraw/zinc/16/55/65/980165565.db2.gz LKMICHAPJNRKND-ZDUSSCGKSA-N 2 1 239.322 2.180 20 30 BEEDMP CCC#C[C@@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001191173921 980989213 /nfs/dbraw/zinc/98/92/13/980989213.db2.gz KQQHZZZLDFTCKQ-KGLIPLIRSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001191173921 980989222 /nfs/dbraw/zinc/98/92/22/980989222.db2.gz KQQHZZZLDFTCKQ-KGLIPLIRSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001191173921 980989228 /nfs/dbraw/zinc/98/92/28/980989228.db2.gz KQQHZZZLDFTCKQ-KGLIPLIRSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001191173921 980989236 /nfs/dbraw/zinc/98/92/36/980989236.db2.gz KQQHZZZLDFTCKQ-KGLIPLIRSA-N 2 1 222.376 2.062 20 30 BEEDMP C#C[C@](C)(CC)[NH2+]C1CC[NH+](CCC)CC1 ZINC001258767103 986148493 /nfs/dbraw/zinc/14/84/93/986148493.db2.gz PYRFYLPTUXZLRR-CQSZACIVSA-N 2 1 222.376 2.252 20 30 BEEDMP C=CCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000379778747 986680484 /nfs/dbraw/zinc/68/04/84/986680484.db2.gz BHGLFGBVHXWYAA-CYBMUJFWSA-N 2 1 208.349 2.123 20 30 BEEDMP C=CCCCCCC[C@@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246058298 987347957 /nfs/dbraw/zinc/34/79/57/987347957.db2.gz JKIAJFYEAXYBBU-UONOGXRCSA-N 2 1 242.407 2.153 20 30 BEEDMP C=CCCCCCC[C@@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246058298 987347963 /nfs/dbraw/zinc/34/79/63/987347963.db2.gz JKIAJFYEAXYBBU-UONOGXRCSA-N 2 1 242.407 2.153 20 30 BEEDMP CCCCCCCC[C@H](O)C[N@H+](C)C[C@H](C)[NH3+] ZINC001246061629 987352500 /nfs/dbraw/zinc/35/25/00/987352500.db2.gz ZLYSAZOTEBKNKB-KBPBESRZSA-N 2 1 244.423 2.377 20 30 BEEDMP CCCCCCCC[C@H](O)C[N@@H+](C)C[C@H](C)[NH3+] ZINC001246061629 987352506 /nfs/dbraw/zinc/35/25/06/987352506.db2.gz ZLYSAZOTEBKNKB-KBPBESRZSA-N 2 1 244.423 2.377 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246120670 987469558 /nfs/dbraw/zinc/46/95/58/987469558.db2.gz PRFCCSBZJCXYDD-MBOZISHXSA-N 2 1 234.387 2.463 20 30 BEEDMP C=C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccccc1 ZINC001246486751 987845010 /nfs/dbraw/zinc/84/50/10/987845010.db2.gz FCZRWQZPCJVPJX-CQSZACIVSA-N 2 1 216.328 2.255 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246561484 987999339 /nfs/dbraw/zinc/99/93/39/987999339.db2.gz TXSOKNLAHWNNQN-OLZOCXBDSA-N 2 1 241.354 2.222 20 30 BEEDMP C[C@H]1C[N@H+](C2CCC(C#N)CC2)CCC[C@H]1C[NH3+] ZINC001246570092 988052866 /nfs/dbraw/zinc/05/28/66/988052866.db2.gz SSPQVTJNZUJGJF-LQULJDIASA-N 2 1 249.402 2.376 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)C[C@H](C1)C2 ZINC001246622117 988264212 /nfs/dbraw/zinc/26/42/12/988264212.db2.gz GKLJEMQKKHFKAP-GJZITSJHSA-N 2 1 246.398 2.273 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246940606 988775371 /nfs/dbraw/zinc/77/53/71/988775371.db2.gz JARDYLNXEBSPIA-MCIONIFRSA-N 2 1 235.375 2.000 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012515 988841738 /nfs/dbraw/zinc/84/17/38/988841738.db2.gz DWBDFJJRCJUPQU-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012515 988841743 /nfs/dbraw/zinc/84/17/43/988841743.db2.gz DWBDFJJRCJUPQU-HZSPNIEDSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012518 988841846 /nfs/dbraw/zinc/84/18/46/988841846.db2.gz DWBDFJJRCJUPQU-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012518 988841850 /nfs/dbraw/zinc/84/18/50/988841850.db2.gz DWBDFJJRCJUPQU-MCIONIFRSA-N 2 1 235.375 2.143 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+]C1CC[NH+](CCC)CC1 ZINC001258767102 991731198 /nfs/dbraw/zinc/73/11/98/991731198.db2.gz PYRFYLPTUXZLRR-AWEZNQCLSA-N 2 1 222.376 2.252 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574907389 992940943 /nfs/dbraw/zinc/94/09/43/992940943.db2.gz KLCPDFBKGVHTTD-OLZOCXBDSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574907389 992940952 /nfs/dbraw/zinc/94/09/52/992940952.db2.gz KLCPDFBKGVHTTD-OLZOCXBDSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001574907642 992943400 /nfs/dbraw/zinc/94/34/00/992943400.db2.gz VHUHPCMYSCDORG-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001574907642 992943407 /nfs/dbraw/zinc/94/34/07/992943407.db2.gz VHUHPCMYSCDORG-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001576923415 993455786 /nfs/dbraw/zinc/45/57/86/993455786.db2.gz LVORJXYYSSNRIB-AWEZNQCLSA-N 2 1 234.387 2.254 20 30 BEEDMP C=CCCCCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385234948 993656658 /nfs/dbraw/zinc/65/66/58/993656658.db2.gz UDYMZJMMICYBCM-CYBMUJFWSA-N 2 1 210.365 2.274 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001307518152 995395951 /nfs/dbraw/zinc/39/59/51/995395951.db2.gz NYRCZTGUDUQYCI-GDBMZVCRSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC001307518152 995395959 /nfs/dbraw/zinc/39/59/59/995395959.db2.gz NYRCZTGUDUQYCI-GDBMZVCRSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001307518152 995395960 /nfs/dbraw/zinc/39/59/60/995395960.db2.gz NYRCZTGUDUQYCI-GDBMZVCRSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001307518152 995395968 /nfs/dbraw/zinc/39/59/68/995395968.db2.gz NYRCZTGUDUQYCI-GDBMZVCRSA-N 2 1 248.414 2.452 20 30 BEEDMP C[N@H+]1CCC[C@H]1CCN(CCC#N)CC1CC1 ZINC000161985480 349528040 /nfs/dbraw/zinc/52/80/40/349528040.db2.gz ZFWBMXSNSJJWQS-AWEZNQCLSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000602444002 349545094 /nfs/dbraw/zinc/54/50/94/349545094.db2.gz IJKDCMMRGHVXGX-KBPBESRZSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000602444002 349545099 /nfs/dbraw/zinc/54/50/99/349545099.db2.gz IJKDCMMRGHVXGX-KBPBESRZSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@@H](CCC#N)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000602444002 349545102 /nfs/dbraw/zinc/54/51/02/349545102.db2.gz IJKDCMMRGHVXGX-KBPBESRZSA-N 2 1 237.391 2.200 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000602487094 349568872 /nfs/dbraw/zinc/56/88/72/349568872.db2.gz SWHWFOFGMOYGLA-RBSFLKMASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000602487094 349568875 /nfs/dbraw/zinc/56/88/75/349568875.db2.gz SWHWFOFGMOYGLA-RBSFLKMASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000602487094 349568878 /nfs/dbraw/zinc/56/88/78/349568878.db2.gz SWHWFOFGMOYGLA-RBSFLKMASA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602547165 349590221 /nfs/dbraw/zinc/59/02/21/349590221.db2.gz AYMZUMCSYOSCCM-HSBZDZAISA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602520230 349574826 /nfs/dbraw/zinc/57/48/26/349574826.db2.gz LLZARYKDBSCVQU-ROKHWSDSSA-N 2 1 235.375 2.000 20 30 BEEDMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602533572 349601737 /nfs/dbraw/zinc/60/17/37/349601737.db2.gz OLCUATFXFIWVQJ-STQMWFEESA-N 2 1 225.380 2.246 20 30 BEEDMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602533572 349601738 /nfs/dbraw/zinc/60/17/38/349601738.db2.gz OLCUATFXFIWVQJ-STQMWFEESA-N 2 1 225.380 2.246 20 30 BEEDMP CC[NH+](CC)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602548825 349591280 /nfs/dbraw/zinc/59/12/80/349591280.db2.gz FUIHUNMHTYKXRA-OLZOCXBDSA-N 2 1 225.380 2.246 20 30 BEEDMP C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000602677222 349669922 /nfs/dbraw/zinc/66/99/22/349669922.db2.gz WZWFGFIYYUCEMV-LSDHHAIUSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000602677222 349669924 /nfs/dbraw/zinc/66/99/24/349669924.db2.gz WZWFGFIYYUCEMV-LSDHHAIUSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@@H](CCC#N)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000602677222 349669925 /nfs/dbraw/zinc/66/99/25/349669925.db2.gz WZWFGFIYYUCEMV-LSDHHAIUSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000602687708 349678605 /nfs/dbraw/zinc/67/86/05/349678605.db2.gz LKZDQHOFGTXTPG-ZDUSSCGKSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@@H+]1C ZINC000602681533 349673543 /nfs/dbraw/zinc/67/35/43/349673543.db2.gz VZWYRHFLYXYNDL-ZOBORPQBSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC[N@H+]1C ZINC000602681533 349673545 /nfs/dbraw/zinc/67/35/45/349673545.db2.gz VZWYRHFLYXYNDL-ZOBORPQBSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000602664434 349684228 /nfs/dbraw/zinc/68/42/28/349684228.db2.gz DBVNSBIOKICVFV-MCIONIFRSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000602664434 349684232 /nfs/dbraw/zinc/68/42/32/349684232.db2.gz DBVNSBIOKICVFV-MCIONIFRSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000602664434 349684235 /nfs/dbraw/zinc/68/42/35/349684235.db2.gz DBVNSBIOKICVFV-MCIONIFRSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000602664434 349684236 /nfs/dbraw/zinc/68/42/36/349684236.db2.gz DBVNSBIOKICVFV-MCIONIFRSA-N 2 1 237.391 2.198 20 30 BEEDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](C)CCC#N ZINC000602697570 349693744 /nfs/dbraw/zinc/69/37/44/349693744.db2.gz BKOUGQYAHNGKOW-CQSZACIVSA-N 2 1 239.407 2.494 20 30 BEEDMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000019943007 342963982 /nfs/dbraw/zinc/96/39/82/342963982.db2.gz XFQJHAIDNWJYAC-UHFFFAOYSA-N 2 1 245.370 2.380 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1(CC#N)CC1 ZINC000602800208 349741234 /nfs/dbraw/zinc/74/12/34/349741234.db2.gz WUYQEPIQARHMJC-UHFFFAOYSA-N 2 1 246.358 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC1(CC#N)CC1 ZINC000602800208 349741236 /nfs/dbraw/zinc/74/12/36/349741236.db2.gz WUYQEPIQARHMJC-UHFFFAOYSA-N 2 1 246.358 2.207 20 30 BEEDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC1(CC#N)CC1)C2 ZINC000602835246 349775714 /nfs/dbraw/zinc/77/57/14/349775714.db2.gz IGDNCWZYRMATFL-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1(CC#N)CC1)C2 ZINC000602835246 349775715 /nfs/dbraw/zinc/77/57/15/349775715.db2.gz IGDNCWZYRMATFL-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1(CC#N)CC1)C2 ZINC000602835246 349775716 /nfs/dbraw/zinc/77/57/16/349775716.db2.gz IGDNCWZYRMATFL-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1(CC#N)CC1)C2 ZINC000602835246 349775718 /nfs/dbraw/zinc/77/57/18/349775718.db2.gz IGDNCWZYRMATFL-HNNXBMFYSA-N 2 1 247.386 2.098 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]CC2(SC)CC2)CC1 ZINC000336707133 136274732 /nfs/dbraw/zinc/27/47/32/136274732.db2.gz QCODNCFHBISRCI-UHFFFAOYSA-N 2 1 240.416 2.122 20 30 BEEDMP C=CC[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000625700078 344039860 /nfs/dbraw/zinc/03/98/60/344039860.db2.gz ADCOEASJIRUPLX-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000625700078 344039862 /nfs/dbraw/zinc/03/98/62/344039862.db2.gz ADCOEASJIRUPLX-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000625700078 344039865 /nfs/dbraw/zinc/03/98/65/344039865.db2.gz ADCOEASJIRUPLX-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP CC(C)(C)C[N@@H+](CCC#N)CCn1ccnc1 ZINC000120552774 344893944 /nfs/dbraw/zinc/89/39/44/344893944.db2.gz ANRAUMXHKBUZBE-UHFFFAOYSA-N 2 1 234.347 2.145 20 30 BEEDMP CC(C)(C#N)CCC[N@H+]1CCn2cncc2C1 ZINC000590599112 347479822 /nfs/dbraw/zinc/47/98/22/347479822.db2.gz IENVYKGHZWMYFC-UHFFFAOYSA-N 2 1 232.331 2.029 20 30 BEEDMP CC(C)(C#N)CCCN1CCn2cncc2C1 ZINC000590599112 347479825 /nfs/dbraw/zinc/47/98/25/347479825.db2.gz IENVYKGHZWMYFC-UHFFFAOYSA-N 2 1 232.331 2.029 20 30 BEEDMP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000591573467 347677004 /nfs/dbraw/zinc/67/70/04/347677004.db2.gz ZCJVZVHEHJXRGN-STQMWFEESA-N 2 1 249.745 2.181 20 30 BEEDMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000592986249 347836927 /nfs/dbraw/zinc/83/69/27/347836927.db2.gz XXPBQZSULPDVBJ-AWEZNQCLSA-N 2 1 231.343 2.021 20 30 BEEDMP N#CC1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000594740556 348111247 /nfs/dbraw/zinc/11/12/47/348111247.db2.gz YWRGWRLEUVAHQR-OLZOCXBDSA-N 2 1 235.375 2.320 20 30 BEEDMP C=CCCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595059145 348183766 /nfs/dbraw/zinc/18/37/66/348183766.db2.gz LTCBIEMJAYENCF-CHWSQXEVSA-N 2 1 242.432 2.368 20 30 BEEDMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(C#N)c1 ZINC000596649304 348605416 /nfs/dbraw/zinc/60/54/16/348605416.db2.gz YKSKBBXMKHUHKN-GFCCVEGCSA-N 2 1 243.354 2.480 20 30 BEEDMP C=CCCSCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000596650557 348605977 /nfs/dbraw/zinc/60/59/77/348605977.db2.gz LNWAKKARSDGCPP-NWDGAFQWSA-N 2 1 228.405 2.026 20 30 BEEDMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596654250 348607781 /nfs/dbraw/zinc/60/77/81/348607781.db2.gz ZGYOFKUGSJUBKK-UONOGXRCSA-N 2 1 249.402 2.438 20 30 BEEDMP C=C(C)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336649243 350418502 /nfs/dbraw/zinc/41/85/02/350418502.db2.gz QQEPHNNDDHHCGW-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336649243 350418504 /nfs/dbraw/zinc/41/85/04/350418504.db2.gz QQEPHNNDDHHCGW-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP CC(C)[NH+]1CCC([N@H+](C)CCCC#N)CC1 ZINC000336672509 350431179 /nfs/dbraw/zinc/43/11/79/350431179.db2.gz KKNUMKYHODHFES-UHFFFAOYSA-N 2 1 223.364 2.095 20 30 BEEDMP CC(C)[NH+]1CCC([N@@H+](C)CCCC#N)CC1 ZINC000336672509 350431181 /nfs/dbraw/zinc/43/11/81/350431181.db2.gz KKNUMKYHODHFES-UHFFFAOYSA-N 2 1 223.364 2.095 20 30 BEEDMP CC#CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336719037 350473038 /nfs/dbraw/zinc/47/30/38/350473038.db2.gz RQBGDSCDMSPBGP-HNNXBMFYSA-N 2 1 234.387 2.064 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000278276712 351755209 /nfs/dbraw/zinc/75/52/09/351755209.db2.gz PMQMYKVDXZZDEQ-ZIAGYGMSSA-N 2 1 246.358 2.254 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411300912 191175612 /nfs/dbraw/zinc/17/56/12/191175612.db2.gz RAVYIEHOCWGFOA-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411300912 191175615 /nfs/dbraw/zinc/17/56/15/191175615.db2.gz RAVYIEHOCWGFOA-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000336751425 353058649 /nfs/dbraw/zinc/05/86/49/353058649.db2.gz VHVYOWJQLPMROU-CHWSQXEVSA-N 2 1 222.376 2.273 20 30 BEEDMP C=CC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316774 353349906 /nfs/dbraw/zinc/34/99/06/353349906.db2.gz JSGZQSUSCRFPJZ-UHFFFAOYSA-N 2 1 231.343 2.452 20 30 BEEDMP C#Cc1ccc(C[N@H+](CC)CCC[NH+](C)C)cc1 ZINC000289485667 353630027 /nfs/dbraw/zinc/63/00/27/353630027.db2.gz RADRQDGBHXGBQA-UHFFFAOYSA-N 2 1 244.382 2.442 20 30 BEEDMP C#Cc1ccc(C[N@@H+](CC)CCC[NH+](C)C)cc1 ZINC000289485667 353630031 /nfs/dbraw/zinc/63/00/31/353630031.db2.gz RADRQDGBHXGBQA-UHFFFAOYSA-N 2 1 244.382 2.442 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000230658941 363317464 /nfs/dbraw/zinc/31/74/64/363317464.db2.gz ACLJRUQDJIWFTL-CHWSQXEVSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CC[N@@H+](CCc1ccccc1)CC(C)(C)[NH3+] ZINC000346822069 355125947 /nfs/dbraw/zinc/12/59/47/355125947.db2.gz FDHUUSHZVNKKMG-UHFFFAOYSA-N 2 1 232.371 2.454 20 30 BEEDMP C=CC[N@H+](CCc1ccccc1)CC(C)(C)[NH3+] ZINC000346822069 355125951 /nfs/dbraw/zinc/12/59/51/355125951.db2.gz FDHUUSHZVNKKMG-UHFFFAOYSA-N 2 1 232.371 2.454 20 30 BEEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352015021 134035933 /nfs/dbraw/zinc/03/59/33/134035933.db2.gz OWDBFANGQRSMQK-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000352015021 134035934 /nfs/dbraw/zinc/03/59/34/134035934.db2.gz OWDBFANGQRSMQK-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000352015021 134035935 /nfs/dbraw/zinc/03/59/35/134035935.db2.gz OWDBFANGQRSMQK-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000352015021 134035936 /nfs/dbraw/zinc/03/59/36/134035936.db2.gz OWDBFANGQRSMQK-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000235684771 363449374 /nfs/dbraw/zinc/44/93/74/363449374.db2.gz QAIHFVXFWBAJDR-QWHCGFSZSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420403770 192237846 /nfs/dbraw/zinc/23/78/46/192237846.db2.gz RPJFUMDHACMGPY-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCC[C@@H](CC)[NH2+]CCc1c[nH+]cn1C ZINC000390639966 357109215 /nfs/dbraw/zinc/10/92/15/357109215.db2.gz MSPFCDQUVFDRBY-GFCCVEGCSA-N 2 1 221.348 2.297 20 30 BEEDMP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000361458771 134205296 /nfs/dbraw/zinc/20/52/96/134205296.db2.gz HYJBOCIHIBXIDW-KGLIPLIRSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000361458771 134205297 /nfs/dbraw/zinc/20/52/97/134205297.db2.gz HYJBOCIHIBXIDW-KGLIPLIRSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623422727 358207530 /nfs/dbraw/zinc/20/75/30/358207530.db2.gz CDCWRTUAYLYCEK-RYUDHWBXSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623422726 358207708 /nfs/dbraw/zinc/20/77/08/358207708.db2.gz CDCWRTUAYLYCEK-NWDGAFQWSA-N 2 1 210.365 2.413 20 30 BEEDMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC[N@H+]1C ZINC000135200608 358826552 /nfs/dbraw/zinc/82/65/52/358826552.db2.gz HOTYKSWYQRMVLL-STQMWFEESA-N 2 1 237.391 2.389 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248158524 359256427 /nfs/dbraw/zinc/25/64/27/359256427.db2.gz RSMQSPCFERATPQ-VXGBXAGGSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248158524 359256431 /nfs/dbraw/zinc/25/64/31/359256431.db2.gz RSMQSPCFERATPQ-VXGBXAGGSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248158524 359256436 /nfs/dbraw/zinc/25/64/36/359256436.db2.gz RSMQSPCFERATPQ-VXGBXAGGSA-N 2 1 228.767 2.155 20 30 BEEDMP C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248158524 359256440 /nfs/dbraw/zinc/25/64/40/359256440.db2.gz RSMQSPCFERATPQ-VXGBXAGGSA-N 2 1 228.767 2.155 20 30 BEEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000429688644 201127511 /nfs/dbraw/zinc/12/75/11/201127511.db2.gz CRZPVQYIVJSEDE-ILXRZTDVSA-N 2 1 247.386 2.096 20 30 BEEDMP C=CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000629534992 361409036 /nfs/dbraw/zinc/40/90/36/361409036.db2.gz CBSVCUGVHLFWNO-UBHSHLNASA-N 2 1 222.376 2.461 20 30 BEEDMP CC#CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000155806213 201352719 /nfs/dbraw/zinc/35/27/19/201352719.db2.gz KCGBMQQNKQROTK-AWEZNQCLSA-N 2 1 222.376 2.206 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600699503 363996411 /nfs/dbraw/zinc/99/64/11/363996411.db2.gz ASSCMXPBGXCVQY-WFASDCNBSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600699503 363996414 /nfs/dbraw/zinc/99/64/14/363996414.db2.gz ASSCMXPBGXCVQY-WFASDCNBSA-N 2 1 243.354 2.036 20 30 BEEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000574324160 365037367 /nfs/dbraw/zinc/03/73/67/365037367.db2.gz HDFWANIVLHUQSO-MCIONIFRSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000574324160 365037371 /nfs/dbraw/zinc/03/73/71/365037371.db2.gz HDFWANIVLHUQSO-MCIONIFRSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367612839 367086910 /nfs/dbraw/zinc/08/69/10/367086910.db2.gz BISVQFYCRLQIOB-BFHYXJOUSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000381472138 367413797 /nfs/dbraw/zinc/41/37/97/367413797.db2.gz NAOUCVWFASTFEH-UHFFFAOYSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309757074 326165719 /nfs/dbraw/zinc/16/57/19/326165719.db2.gz LTKXYTLXGUDWGP-NEPJUHHUSA-N 2 1 221.348 2.153 20 30 BEEDMP Cc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1C#N ZINC000600704678 369559720 /nfs/dbraw/zinc/55/97/20/369559720.db2.gz PBRWPIKMEDKOJF-UHFFFAOYSA-N 2 1 243.354 2.051 20 30 BEEDMP Cc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1C#N ZINC000600704678 369559723 /nfs/dbraw/zinc/55/97/23/369559723.db2.gz PBRWPIKMEDKOJF-UHFFFAOYSA-N 2 1 243.354 2.051 20 30 BEEDMP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)[C@@H]1CC[NH3+] ZINC000600769240 369562377 /nfs/dbraw/zinc/56/23/77/369562377.db2.gz KMNCSBQKGHZOGE-BXUZGUMPSA-N 2 1 247.342 2.101 20 30 BEEDMP C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)o2)[C@@H]1CC[NH3+] ZINC000600769240 369562379 /nfs/dbraw/zinc/56/23/79/369562379.db2.gz KMNCSBQKGHZOGE-BXUZGUMPSA-N 2 1 247.342 2.101 20 30 BEEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000070074509 371008477 /nfs/dbraw/zinc/00/84/77/371008477.db2.gz ZSLQPXDAJVLCFY-TZMCWYRMSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000070074509 371008481 /nfs/dbraw/zinc/00/84/81/371008481.db2.gz ZSLQPXDAJVLCFY-TZMCWYRMSA-N 2 1 243.354 2.117 20 30 BEEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149449 371010709 /nfs/dbraw/zinc/01/07/09/371010709.db2.gz XWJILWBXLNNMOB-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000070149449 371010715 /nfs/dbraw/zinc/01/07/15/371010715.db2.gz XWJILWBXLNNMOB-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000133351728 372027894 /nfs/dbraw/zinc/02/78/94/372027894.db2.gz ATYZGYQULXQGEJ-HNNXBMFYSA-N 2 1 245.370 2.363 20 30 BEEDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000133425472 372047384 /nfs/dbraw/zinc/04/73/84/372047384.db2.gz UOULHMVGGVCUKK-OAHLLOKOSA-N 2 1 245.370 2.363 20 30 BEEDMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCC1)CC2 ZINC000335026064 384010835 /nfs/dbraw/zinc/01/08/35/384010835.db2.gz VRZTWAGGEOOWFL-AWEZNQCLSA-N 2 1 241.338 2.017 20 30 BEEDMP C#CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000375843582 533034806 /nfs/dbraw/zinc/03/48/06/533034806.db2.gz YDWFWTQKYMQPBM-RRFJBIMHSA-N 2 1 234.387 2.252 20 30 BEEDMP C=CCCC[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000300056441 384283033 /nfs/dbraw/zinc/28/30/33/384283033.db2.gz QAIHFVXFWBAJDR-OLZOCXBDSA-N 2 1 210.365 2.273 20 30 BEEDMP C#CC[N@@H+](CC)CCCC1CC[NH+](CC#C)CC1 ZINC000154728295 384665214 /nfs/dbraw/zinc/66/52/14/384665214.db2.gz MFVCMZLHEXWRPR-UHFFFAOYSA-N 2 1 246.398 2.067 20 30 BEEDMP C=CCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000157438275 385172730 /nfs/dbraw/zinc/17/27/30/385172730.db2.gz NFLBHWKLTMDFSU-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000157438275 385172735 /nfs/dbraw/zinc/17/27/35/385172735.db2.gz NFLBHWKLTMDFSU-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056993 385285631 /nfs/dbraw/zinc/28/56/31/385285631.db2.gz ZNUPZMDUHMUJTN-JSGCOSHPSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056993 385285635 /nfs/dbraw/zinc/28/56/35/385285635.db2.gz ZNUPZMDUHMUJTN-JSGCOSHPSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247056993 385285641 /nfs/dbraw/zinc/28/56/41/385285641.db2.gz ZNUPZMDUHMUJTN-JSGCOSHPSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247056993 385285645 /nfs/dbraw/zinc/28/56/45/385285645.db2.gz ZNUPZMDUHMUJTN-JSGCOSHPSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000161645785 385411388 /nfs/dbraw/zinc/41/13/88/385411388.db2.gz WTQZSEYGIKHMEH-YNEHKIRRSA-N 2 1 208.349 2.167 20 30 BEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000595505778 385631674 /nfs/dbraw/zinc/63/16/74/385631674.db2.gz YFBDPYJVINTNRS-RBSFLKMASA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000595505778 385631680 /nfs/dbraw/zinc/63/16/80/385631680.db2.gz YFBDPYJVINTNRS-RBSFLKMASA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000595505778 385631683 /nfs/dbraw/zinc/63/16/83/385631683.db2.gz YFBDPYJVINTNRS-RBSFLKMASA-N 2 1 247.386 2.096 20 30 BEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595505777 385631801 /nfs/dbraw/zinc/63/18/01/385631801.db2.gz YFBDPYJVINTNRS-QLFBSQMISA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595505777 385631805 /nfs/dbraw/zinc/63/18/05/385631805.db2.gz YFBDPYJVINTNRS-QLFBSQMISA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000595505777 385631810 /nfs/dbraw/zinc/63/18/10/385631810.db2.gz YFBDPYJVINTNRS-QLFBSQMISA-N 2 1 247.386 2.096 20 30 BEEDMP N#CC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000602508581 385801771 /nfs/dbraw/zinc/80/17/71/385801771.db2.gz CKLFSZOGEMYCEF-MOKVOYLWSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CCOc1ccc(C[NH2+]CC2([NH3+])CCC2)cc1 ZINC000414888887 386106973 /nfs/dbraw/zinc/10/69/73/386106973.db2.gz RXHKKZCHCJWDLS-UHFFFAOYSA-N 2 1 246.354 2.222 20 30 BEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347230808 386271727 /nfs/dbraw/zinc/27/17/27/386271727.db2.gz XVRXMAIRWTZDDC-CYBMUJFWSA-N 2 1 246.354 2.032 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415069398 386551157 /nfs/dbraw/zinc/55/11/57/386551157.db2.gz SLSSGTDNMLNUKO-AAEUAGOBSA-N 2 1 210.365 2.448 20 30 BEEDMP C=CCOc1ccc(C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414809711 386620824 /nfs/dbraw/zinc/62/08/24/386620824.db2.gz WCLVMTTWTGBVJE-UHFFFAOYSA-N 2 1 234.343 2.078 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187059 386850502 /nfs/dbraw/zinc/85/05/02/386850502.db2.gz WVKJHXFTTAUMKB-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000645187059 386850503 /nfs/dbraw/zinc/85/05/03/386850503.db2.gz WVKJHXFTTAUMKB-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645187059 386850505 /nfs/dbraw/zinc/85/05/05/386850505.db2.gz WVKJHXFTTAUMKB-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000645187059 386850510 /nfs/dbraw/zinc/85/05/10/386850510.db2.gz WVKJHXFTTAUMKB-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638523765 386857347 /nfs/dbraw/zinc/85/73/47/386857347.db2.gz GUWKNPGSGIJJBA-BTTYYORXSA-N 2 1 234.387 2.273 20 30 BEEDMP CC[NH+](CC#CC[N@H+](CC)CC1CC1)CC1CC1 ZINC000341895018 386994723 /nfs/dbraw/zinc/99/47/23/386994723.db2.gz VMBNIXAPBMHBNP-UHFFFAOYSA-N 2 1 248.414 2.454 20 30 BEEDMP CC#CC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000119947543 387157538 /nfs/dbraw/zinc/15/75/38/387157538.db2.gz JQUGJYAVKHTKAT-UHFFFAOYSA-N 2 1 236.403 2.454 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229594337 387183388 /nfs/dbraw/zinc/18/33/88/387183388.db2.gz UINZFCOQXLQDJF-STQMWFEESA-N 2 1 237.391 2.246 20 30 BEEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)C1CC1 ZINC000643502196 387356511 /nfs/dbraw/zinc/35/65/11/387356511.db2.gz ZNZWNVAPTZSMCP-ZIAGYGMSSA-N 2 1 222.376 2.463 20 30 BEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502026 387357239 /nfs/dbraw/zinc/35/72/39/387357239.db2.gz WHTYJUCUCMMXNM-YNEHKIRRSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000643502193 387357472 /nfs/dbraw/zinc/35/74/72/387357472.db2.gz ZNZWNVAPTZSMCP-KBPBESRZSA-N 2 1 222.376 2.463 20 30 BEEDMP C=CCC[C@@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000643507241 387474912 /nfs/dbraw/zinc/47/49/12/387474912.db2.gz WZTSJNVJHBYUET-CYBMUJFWSA-N 2 1 208.349 2.073 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C1CCCC1 ZINC000327996124 387636669 /nfs/dbraw/zinc/63/66/69/387636669.db2.gz MOJCPEXEQLSKQK-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C1CCCC1 ZINC000327996124 387636676 /nfs/dbraw/zinc/63/66/76/387636676.db2.gz MOJCPEXEQLSKQK-ZDUSSCGKSA-N 2 1 222.376 2.110 20 30 BEEDMP CC(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000442709966 387826908 /nfs/dbraw/zinc/82/69/08/387826908.db2.gz BMPZJHOQZIZQFE-KKUMJFAQSA-N 2 1 249.402 2.389 20 30 BEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442798403 387843550 /nfs/dbraw/zinc/84/35/50/387843550.db2.gz WXCOEMIHOKPWOQ-XBFCOCLRSA-N 2 1 246.358 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000328065962 387845449 /nfs/dbraw/zinc/84/54/49/387845449.db2.gz COOTUUOUBHKODL-KBPBESRZSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000328065962 387845454 /nfs/dbraw/zinc/84/54/54/387845454.db2.gz COOTUUOUBHKODL-KBPBESRZSA-N 2 1 222.376 2.110 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423132021 387909954 /nfs/dbraw/zinc/90/99/54/387909954.db2.gz IROZAAFMCHMUQO-VXGBXAGGSA-N 2 1 210.365 2.176 20 30 BEEDMP C=CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C1CC1 ZINC000423192939 387978229 /nfs/dbraw/zinc/97/82/29/387978229.db2.gz QIODBAYCVPYMDL-QWHCGFSZSA-N 2 1 208.349 2.073 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289841 388035336 /nfs/dbraw/zinc/03/53/36/388035336.db2.gz JFVIIJCVCJFFHA-MRLBHPIUSA-N 2 1 249.402 2.387 20 30 BEEDMP C=CC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000449483673 388215986 /nfs/dbraw/zinc/21/59/86/388215986.db2.gz CAWNGAXJTCVKEE-UHFFFAOYSA-N 2 1 233.359 2.449 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000491699462 388312304 /nfs/dbraw/zinc/31/23/04/388312304.db2.gz NOQKYOKDXFRMJB-CQSZACIVSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC12CCCC2 ZINC000491699462 388312305 /nfs/dbraw/zinc/31/23/05/388312305.db2.gz NOQKYOKDXFRMJB-CQSZACIVSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000491210719 388277756 /nfs/dbraw/zinc/27/77/56/388277756.db2.gz XXPLSRFLSCLXAY-HUUCEWRRSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000491210719 388277758 /nfs/dbraw/zinc/27/77/58/388277758.db2.gz XXPLSRFLSCLXAY-HUUCEWRRSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000491210720 388278001 /nfs/dbraw/zinc/27/80/01/388278001.db2.gz XXPLSRFLSCLXAY-LSDHHAIUSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000491210720 388278003 /nfs/dbraw/zinc/27/80/03/388278003.db2.gz XXPLSRFLSCLXAY-LSDHHAIUSA-N 2 1 234.387 2.110 20 30 BEEDMP C[C@H]1C[C@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644184 388745885 /nfs/dbraw/zinc/74/58/85/388745885.db2.gz KUEJTBJIJDVPCY-NWDGAFQWSA-N 2 1 247.342 2.066 20 30 BEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423266681 388690139 /nfs/dbraw/zinc/69/01/39/388690139.db2.gz DVMLRVKNYAQSTJ-FZMZJTMJSA-N 2 1 231.343 2.192 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@H]2CCC[C@@H]21 ZINC000367616969 134216064 /nfs/dbraw/zinc/21/60/64/134216064.db2.gz MRZMJCWPHQEBAF-RDBSUJKOSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000338547056 135039595 /nfs/dbraw/zinc/03/95/95/135039595.db2.gz QOLXWUGJJGXCRR-AWEZNQCLSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000338547056 135039596 /nfs/dbraw/zinc/03/95/96/135039596.db2.gz QOLXWUGJJGXCRR-AWEZNQCLSA-N 2 1 222.376 2.226 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000253310467 135126368 /nfs/dbraw/zinc/12/63/68/135126368.db2.gz UINZFCOQXLQDJF-CHWSQXEVSA-N 2 1 237.391 2.246 20 30 BEEDMP C=CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261531094 135159141 /nfs/dbraw/zinc/15/91/41/135159141.db2.gz FDSIJKJUHUKLOU-VXGBXAGGSA-N 2 1 208.349 2.025 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000295037830 135378885 /nfs/dbraw/zinc/37/88/85/135378885.db2.gz PEOKTIKOAUNFEF-AWEZNQCLSA-N 2 1 248.370 2.145 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000295037830 135378887 /nfs/dbraw/zinc/37/88/87/135378887.db2.gz PEOKTIKOAUNFEF-AWEZNQCLSA-N 2 1 248.370 2.145 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000295001214 135379045 /nfs/dbraw/zinc/37/90/45/135379045.db2.gz LZNKOKODWAUNGV-LBPRGKRZSA-N 2 1 236.384 2.354 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000295001214 135379047 /nfs/dbraw/zinc/37/90/47/135379047.db2.gz LZNKOKODWAUNGV-LBPRGKRZSA-N 2 1 236.384 2.354 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000295115349 135379203 /nfs/dbraw/zinc/37/92/03/135379203.db2.gz XVMOVVCDFXRAJB-MRXNPFEDSA-N 2 1 242.366 2.219 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000295115349 135379204 /nfs/dbraw/zinc/37/92/04/135379204.db2.gz XVMOVVCDFXRAJB-MRXNPFEDSA-N 2 1 242.366 2.219 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000334383097 135380456 /nfs/dbraw/zinc/38/04/56/135380456.db2.gz KSZGUIGKJZPUFJ-VXGQWTEUSA-N 2 1 249.402 2.246 20 30 BEEDMP N#Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000335564245 136106958 /nfs/dbraw/zinc/10/69/58/136106958.db2.gz ZIMNBMWLRWPLDK-HUUCEWRRSA-N 2 1 243.354 2.308 20 30 BEEDMP N#Cc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000335564243 136107046 /nfs/dbraw/zinc/10/70/46/136107046.db2.gz ZIMNBMWLRWPLDK-CABCVRRESA-N 2 1 243.354 2.308 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000271195092 166130211 /nfs/dbraw/zinc/13/02/11/166130211.db2.gz DGFCPAHDUNXTLQ-KGLIPLIRSA-N 2 1 231.343 2.179 20 30 BEEDMP C#CCC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277296323 166134998 /nfs/dbraw/zinc/13/49/98/166134998.db2.gz TYFSOJWHEZDCJM-UHFFFAOYSA-N 2 1 233.359 2.181 20 30 BEEDMP C#CCC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277296323 166135001 /nfs/dbraw/zinc/13/50/01/166135001.db2.gz TYFSOJWHEZDCJM-UHFFFAOYSA-N 2 1 233.359 2.181 20 30 BEEDMP C=CCCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000270836058 166232623 /nfs/dbraw/zinc/23/26/23/166232623.db2.gz DXWDFNFSLKXODH-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=CCCC[N@H+](C)CCn1cc[nH+]c1C ZINC000270836058 166232627 /nfs/dbraw/zinc/23/26/27/166232627.db2.gz DXWDFNFSLKXODH-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=CCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336772658 166244430 /nfs/dbraw/zinc/24/44/30/166244430.db2.gz XWQRRPRXNVPXFX-STQMWFEESA-N 2 1 210.365 2.273 20 30 BEEDMP C=CCC[NH+](C)CCOCC[N@H+](C)CCC=C ZINC000276351942 166256070 /nfs/dbraw/zinc/25/60/70/166256070.db2.gz DLDYKJIVIGBTPO-UHFFFAOYSA-N 2 1 240.391 2.019 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275475079 166300231 /nfs/dbraw/zinc/30/02/31/166300231.db2.gz HXYVFEXCIHJCIS-QWHCGFSZSA-N 2 1 233.359 2.390 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000175993144 166351954 /nfs/dbraw/zinc/35/19/54/166351954.db2.gz BUIUYIAWJNYHII-ILXRZTDVSA-N 2 1 246.398 2.439 20 30 BEEDMP C=CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000019875741 166397916 /nfs/dbraw/zinc/39/79/16/166397916.db2.gz GZBFETYSBWVUQV-UHFFFAOYSA-N 2 1 230.355 2.427 20 30 BEEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000651669393 411133585 /nfs/dbraw/zinc/13/35/85/411133585.db2.gz SCMBKONVKZOIFK-OCCSQVGLSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(C)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660663682 411376301 /nfs/dbraw/zinc/37/63/01/411376301.db2.gz OZOPVACMWJRLED-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663682 411376303 /nfs/dbraw/zinc/37/63/03/411376303.db2.gz OZOPVACMWJRLED-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(C)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660663682 411376304 /nfs/dbraw/zinc/37/63/04/411376304.db2.gz OZOPVACMWJRLED-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404370516 411392193 /nfs/dbraw/zinc/39/21/93/411392193.db2.gz QUIFADDCQXXXQC-STQMWFEESA-N 2 1 210.365 2.402 20 30 BEEDMP C=CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662316898 412098383 /nfs/dbraw/zinc/09/83/83/412098383.db2.gz YELSUCVVUGRIIE-CHWSQXEVSA-N 2 1 210.365 2.402 20 30 BEEDMP C=CC[C@@H]1[N@H+](CCC[NH3+])CCCC1(C)C ZINC000414756458 487822049 /nfs/dbraw/zinc/82/20/49/487822049.db2.gz JPNYANFGZVZZTE-LBPRGKRZSA-N 2 1 210.365 2.402 20 30 BEEDMP CC[NH+](CC)CCC[NH+]1CCC(CC#N)CC1 ZINC000260178569 323027400 /nfs/dbraw/zinc/02/74/00/323027400.db2.gz WZKCHBLSRPRUSO-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP CC#CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000159731019 323045327 /nfs/dbraw/zinc/04/53/27/323045327.db2.gz MISJQABKFJGIJA-KGLIPLIRSA-N 2 1 234.387 2.252 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CC ZINC000328268638 324367876 /nfs/dbraw/zinc/36/78/76/324367876.db2.gz NCPSBJPFUGGPRR-KBPBESRZSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1CC ZINC000328268638 324367879 /nfs/dbraw/zinc/36/78/79/324367879.db2.gz NCPSBJPFUGGPRR-KBPBESRZSA-N 2 1 222.376 2.110 20 30 BEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000309757075 326165841 /nfs/dbraw/zinc/16/58/41/326165841.db2.gz LTKXYTLXGUDWGP-NWDGAFQWSA-N 2 1 221.348 2.153 20 30 BEEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357737703 534711182 /nfs/dbraw/zinc/71/11/82/534711182.db2.gz FMZIFDCCAZMYCL-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357737703 534711187 /nfs/dbraw/zinc/71/11/87/534711187.db2.gz FMZIFDCCAZMYCL-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357737703 534711191 /nfs/dbraw/zinc/71/11/91/534711191.db2.gz FMZIFDCCAZMYCL-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357737703 534711195 /nfs/dbraw/zinc/71/11/95/534711195.db2.gz FMZIFDCCAZMYCL-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000366231428 534720613 /nfs/dbraw/zinc/72/06/13/534720613.db2.gz NKNDOZNCNHRWTE-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366231428 534720616 /nfs/dbraw/zinc/72/06/16/534720616.db2.gz NKNDOZNCNHRWTE-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366231428 534720620 /nfs/dbraw/zinc/72/06/20/534720620.db2.gz NKNDOZNCNHRWTE-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C[N@@H+](CCCCC#N)CCC[NH+]1CCCC1 ZINC000337284295 536328860 /nfs/dbraw/zinc/32/88/60/536328860.db2.gz YTKIYVNMWVVSEP-UHFFFAOYSA-N 2 1 223.364 2.098 20 30 BEEDMP N#Cc1ccc2c(c1)CC[C@H]2NCc1c[nH]cn1 ZINC000894589125 583489988 /nfs/dbraw/zinc/48/99/88/583489988.db2.gz IIMQMVKWJCHOET-CQSZACIVSA-N 2 1 238.294 2.058 20 30 BEEDMP N#Cc1ccc2c(c1)CC[C@@H]2NCc1c[nH]cn1 ZINC000894589111 583490483 /nfs/dbraw/zinc/49/04/83/583490483.db2.gz IIMQMVKWJCHOET-AWEZNQCLSA-N 2 1 238.294 2.058 20 30 BEEDMP CC1([NH+]2CCC2)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000880473236 583541676 /nfs/dbraw/zinc/54/16/76/583541676.db2.gz ACWNSESRGAXQQL-KBPBESRZSA-N 2 1 247.386 2.239 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000872140425 583947757 /nfs/dbraw/zinc/94/77/57/583947757.db2.gz MRHULAIYOBERHW-FPCVCCKLSA-N 2 1 248.414 2.498 20 30 BEEDMP C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1C[NH3+] ZINC000903459754 584765801 /nfs/dbraw/zinc/76/58/01/584765801.db2.gz ZAXWULDATGQRFS-XSCHDIRWSA-N 2 1 249.402 2.233 20 30 BEEDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCC(C#N)CC1 ZINC000903460667 584766465 /nfs/dbraw/zinc/76/64/65/584766465.db2.gz HFUUJQVDKTZSKF-GFJIZPEISA-N 2 1 235.375 2.128 20 30 BEEDMP N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000903464613 584772360 /nfs/dbraw/zinc/77/23/60/584772360.db2.gz UEFWQJTVZVOLBH-PFSRBDOWSA-N 2 1 247.386 2.130 20 30 BEEDMP C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H]1CC[NH3+] ZINC000903498463 584780025 /nfs/dbraw/zinc/78/00/25/584780025.db2.gz GICRCIWDDNPXOL-XSCHDIRWSA-N 2 1 249.402 2.233 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903769540 584798086 /nfs/dbraw/zinc/79/80/86/584798086.db2.gz IUPQXKRWBFTPPX-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCC[NH2+]C1 ZINC000903825602 584804334 /nfs/dbraw/zinc/80/43/34/584804334.db2.gz ARAAPCGQGITTRX-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC[NH2+]C1 ZINC000903825602 584804336 /nfs/dbraw/zinc/80/43/36/584804336.db2.gz ARAAPCGQGITTRX-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C=CCCCCC[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904322123 584864908 /nfs/dbraw/zinc/86/49/08/584864908.db2.gz PIGUPEVBEHGFIF-BETUJISGSA-N 2 1 210.365 2.402 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000839609343 585333217 /nfs/dbraw/zinc/33/32/17/585333217.db2.gz LDHYSGZUTWFZOM-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000839609343 585333218 /nfs/dbraw/zinc/33/32/18/585333218.db2.gz LDHYSGZUTWFZOM-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000839609343 585333219 /nfs/dbraw/zinc/33/32/19/585333219.db2.gz LDHYSGZUTWFZOM-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000766920944 585511902 /nfs/dbraw/zinc/51/19/02/585511902.db2.gz SEMMUTGYFSVDEU-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000766920944 585511903 /nfs/dbraw/zinc/51/19/03/585511903.db2.gz SEMMUTGYFSVDEU-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000766920944 585511904 /nfs/dbraw/zinc/51/19/04/585511904.db2.gz SEMMUTGYFSVDEU-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000809619170 586509394 /nfs/dbraw/zinc/50/93/94/586509394.db2.gz QTLRYYFGGUGQAZ-INIZCTEOSA-N 2 1 242.366 2.099 20 30 BEEDMP C#Cc1ccc(C[NH2+]CCC[NH+](CC)CC)cc1 ZINC000809632546 586509974 /nfs/dbraw/zinc/50/99/74/586509974.db2.gz RYXMJIWQWVWKTB-UHFFFAOYSA-N 2 1 244.382 2.489 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000815652029 586690021 /nfs/dbraw/zinc/69/00/21/586690021.db2.gz LSEYDYLRFKNCCK-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000815652029 586690022 /nfs/dbraw/zinc/69/00/22/586690022.db2.gz LSEYDYLRFKNCCK-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CC ZINC000834814336 587767383 /nfs/dbraw/zinc/76/73/83/587767383.db2.gz IJVBDYLILMIDCJ-ZDUSSCGKSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)CC ZINC000834814336 587767384 /nfs/dbraw/zinc/76/73/84/587767384.db2.gz IJVBDYLILMIDCJ-ZDUSSCGKSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834814399 587767388 /nfs/dbraw/zinc/76/73/88/587767388.db2.gz KFDCGYDADYZLQV-INIZCTEOSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834814399 587767389 /nfs/dbraw/zinc/76/73/89/587767389.db2.gz KFDCGYDADYZLQV-INIZCTEOSA-N 2 1 248.414 2.500 20 30 BEEDMP C[C@]1(C#N)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852760381 588700434 /nfs/dbraw/zinc/70/04/34/588700434.db2.gz DXEORYOSGHGCMG-CYBMUJFWSA-N 2 1 223.364 2.131 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)CC1 ZINC000872140668 589881934 /nfs/dbraw/zinc/88/19/34/589881934.db2.gz VOMCSZIAIGSVIT-HDJSIYSDSA-N 2 1 234.387 2.252 20 30 BEEDMP C=CC[C@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000878288617 590533808 /nfs/dbraw/zinc/53/38/08/590533808.db2.gz ZPAMZKOMYRFWHP-LBPRGKRZSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000878288617 590533812 /nfs/dbraw/zinc/53/38/12/590533812.db2.gz ZPAMZKOMYRFWHP-LBPRGKRZSA-N 2 1 221.348 2.478 20 30 BEEDMP C=CC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878288617 590533814 /nfs/dbraw/zinc/53/38/14/590533814.db2.gz ZPAMZKOMYRFWHP-LBPRGKRZSA-N 2 1 221.348 2.478 20 30 BEEDMP C#CCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879210238 590714331 /nfs/dbraw/zinc/71/43/31/590714331.db2.gz XDGFMYFWMUJHNK-UHFFFAOYSA-N 2 1 234.387 2.350 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578807 590818687 /nfs/dbraw/zinc/81/86/87/590818687.db2.gz HCNLOGGEAAYZDF-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578807 590818690 /nfs/dbraw/zinc/81/86/90/590818690.db2.gz HCNLOGGEAAYZDF-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578807 590818692 /nfs/dbraw/zinc/81/86/92/590818692.db2.gz HCNLOGGEAAYZDF-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578807 590818695 /nfs/dbraw/zinc/81/86/95/590818695.db2.gz HCNLOGGEAAYZDF-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000886364217 592218331 /nfs/dbraw/zinc/21/83/31/592218331.db2.gz SGXOCENBIOPGGJ-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C=CCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887132299 592448847 /nfs/dbraw/zinc/44/88/47/592448847.db2.gz CFKQWONHTGXISV-CYBMUJFWSA-N 2 1 231.343 2.168 20 30 BEEDMP C#C[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000934515878 631896002 /nfs/dbraw/zinc/89/60/02/631896002.db2.gz ZSHITKCHQSIUGO-HNNXBMFYSA-N 2 1 245.370 2.459 20 30 BEEDMP C#C[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000934515878 631896008 /nfs/dbraw/zinc/89/60/08/631896008.db2.gz ZSHITKCHQSIUGO-HNNXBMFYSA-N 2 1 245.370 2.459 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000328025842 633213945 /nfs/dbraw/zinc/21/39/45/633213945.db2.gz UJFTXCJGJMPCOV-HNNXBMFYSA-N 2 1 244.382 2.335 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)c1ccccc1 ZINC000328025842 633213958 /nfs/dbraw/zinc/21/39/58/633213958.db2.gz UJFTXCJGJMPCOV-HNNXBMFYSA-N 2 1 244.382 2.335 20 30 BEEDMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670936 634253615 /nfs/dbraw/zinc/25/36/15/634253615.db2.gz AWSINOLQQRCJBB-NWDGAFQWSA-N 2 1 223.364 2.046 20 30 BEEDMP C[NH+](C)C1(C)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000931353151 634369900 /nfs/dbraw/zinc/36/99/00/634369900.db2.gz ZYPJZZQHZABSEP-OLZOCXBDSA-N 2 1 235.375 2.095 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C[NH+](C)C)OCC ZINC000926960158 636972699 /nfs/dbraw/zinc/97/26/99/636972699.db2.gz FGLJTYCWSSXYMS-IHRRRGAJSA-N 2 1 242.407 2.143 20 30 BEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926960157 636974717 /nfs/dbraw/zinc/97/47/17/636974717.db2.gz FGLJTYCWSSXYMS-BFHYXJOUSA-N 2 1 242.407 2.143 20 30 BEEDMP C=CC[C@H](C)[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316007 640155361 /nfs/dbraw/zinc/15/53/61/640155361.db2.gz FTJLKABIEYLUOY-IHRRRGAJSA-N 2 1 222.376 2.225 20 30 BEEDMP C#CCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931443460 640205832 /nfs/dbraw/zinc/20/58/32/640205832.db2.gz YINRJJLVWACVDB-CVEARBPZSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931443460 640205841 /nfs/dbraw/zinc/20/58/41/640205841.db2.gz YINRJJLVWACVDB-CVEARBPZSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CCCCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931443460 640205849 /nfs/dbraw/zinc/20/58/49/640205849.db2.gz YINRJJLVWACVDB-CVEARBPZSA-N 2 1 248.414 2.454 20 30 BEEDMP C=C(Cl)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000306592185 711502264 /nfs/dbraw/zinc/50/22/64/711502264.db2.gz WFPZTPXRHWPUEI-IEBDPFPHSA-N 2 1 216.756 2.044 20 30 BEEDMP C=C(Cl)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000306592185 711502265 /nfs/dbraw/zinc/50/22/65/711502265.db2.gz WFPZTPXRHWPUEI-IEBDPFPHSA-N 2 1 216.756 2.044 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000923455135 644435470 /nfs/dbraw/zinc/43/54/70/644435470.db2.gz QXVOKGQQJBCLQO-PFSRBDOWSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000923455135 644435477 /nfs/dbraw/zinc/43/54/77/644435477.db2.gz QXVOKGQQJBCLQO-PFSRBDOWSA-N 2 1 247.386 2.000 20 30 BEEDMP C#CC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000829804929 645111891 /nfs/dbraw/zinc/11/18/91/645111891.db2.gz NNDSIHXRDPGPNJ-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000852752512 645489058 /nfs/dbraw/zinc/48/90/58/645489058.db2.gz BBSQVEPSJBGCCT-LLVKDONJSA-N 2 1 228.767 2.203 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924718157 646095685 /nfs/dbraw/zinc/09/56/85/646095685.db2.gz XTLLGCCMLQDISG-LBPRGKRZSA-N 2 1 248.374 2.500 20 30 BEEDMP C=CCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925704629 646429546 /nfs/dbraw/zinc/42/95/46/646429546.db2.gz ICKLGTONHKKDEJ-YPMHNXCESA-N 2 1 204.317 2.241 20 30 BEEDMP C=C1CCC(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000724444661 711580804 /nfs/dbraw/zinc/58/08/04/711580804.db2.gz HWBNRXUBQDJDFC-GXTWGEPZSA-N 2 1 222.376 2.463 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCC(C)C ZINC000328092271 711689423 /nfs/dbraw/zinc/68/94/23/711689423.db2.gz IZOMIBSKTITBPY-AWEZNQCLSA-N 2 1 224.392 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCC(C)C ZINC000328092271 711689426 /nfs/dbraw/zinc/68/94/26/711689426.db2.gz IZOMIBSKTITBPY-AWEZNQCLSA-N 2 1 224.392 2.356 20 30 BEEDMP CCCCCCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313342602 711718714 /nfs/dbraw/zinc/71/87/14/711718714.db2.gz GSMAJQAJTZOKNO-CQSZACIVSA-N 2 1 242.407 2.397 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000383082140 711825982 /nfs/dbraw/zinc/82/59/82/711825982.db2.gz UIGAADMMIZFKRJ-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000383082140 711825983 /nfs/dbraw/zinc/82/59/83/711825983.db2.gz UIGAADMMIZFKRJ-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000715058354 712505301 /nfs/dbraw/zinc/50/53/01/712505301.db2.gz OTSHIXCBGUXIHU-IHRRRGAJSA-N 2 1 222.376 2.415 20 30 BEEDMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC(C)(C)C#N ZINC000720351747 712832851 /nfs/dbraw/zinc/83/28/51/712832851.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 2 1 235.375 2.095 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000383151689 710977801 /nfs/dbraw/zinc/97/78/01/710977801.db2.gz JUGOZIMSUAVFEV-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000383151689 710977805 /nfs/dbraw/zinc/97/78/05/710977805.db2.gz JUGOZIMSUAVFEV-LSDHHAIUSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000394434327 711191279 /nfs/dbraw/zinc/19/12/79/711191279.db2.gz ZHPFAPBPVQYWPB-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000394434327 711191281 /nfs/dbraw/zinc/19/12/81/711191281.db2.gz ZHPFAPBPVQYWPB-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000383029136 710841370 /nfs/dbraw/zinc/84/13/70/710841370.db2.gz CFJJVBSYKYMECZ-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000383029136 710841372 /nfs/dbraw/zinc/84/13/72/710841372.db2.gz CFJJVBSYKYMECZ-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C=C1CCC(C[NH2+][C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000724444663 711581072 /nfs/dbraw/zinc/58/10/72/711581072.db2.gz HWBNRXUBQDJDFC-JSGCOSHPSA-N 2 1 222.376 2.463 20 30 BEEDMP CCCCCCC[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313359797 711717983 /nfs/dbraw/zinc/71/79/83/711717983.db2.gz VTSZCFMPPHXDGZ-CYBMUJFWSA-N 2 1 228.380 2.006 20 30 BEEDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573442 711769978 /nfs/dbraw/zinc/76/99/78/711769978.db2.gz OFJIKASVFFKXRQ-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@H+]1CC[C@@H]2C[NH+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573442 711769980 /nfs/dbraw/zinc/76/99/80/711769980.db2.gz OFJIKASVFFKXRQ-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@H+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573442 711769982 /nfs/dbraw/zinc/76/99/82/711769982.db2.gz OFJIKASVFFKXRQ-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573442 711769983 /nfs/dbraw/zinc/76/99/83/711769983.db2.gz OFJIKASVFFKXRQ-ZIAGYGMSSA-N 2 1 249.402 2.342 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000701911391 712031842 /nfs/dbraw/zinc/03/18/42/712031842.db2.gz VSPJREVICDONIX-RYUDHWBXSA-N 2 1 210.365 2.319 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000702293660 712043077 /nfs/dbraw/zinc/04/30/77/712043077.db2.gz KBCRWDUHGYGFJI-MCIONIFRSA-N 2 1 234.387 2.251 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000702278926 712045074 /nfs/dbraw/zinc/04/50/74/712045074.db2.gz ZSSXKVIGTSOWEZ-UPJWGTAASA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)(C)C ZINC000702278926 712045075 /nfs/dbraw/zinc/04/50/75/712045075.db2.gz ZSSXKVIGTSOWEZ-UPJWGTAASA-N 2 1 222.376 2.107 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000703653695 712083189 /nfs/dbraw/zinc/08/31/89/712083189.db2.gz PWUMCGDZTPHBMM-RDBSUJKOSA-N 2 1 222.376 2.130 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000715052072 712505099 /nfs/dbraw/zinc/50/50/99/712505099.db2.gz HGYPRNRLOFNEFP-CHWSQXEVSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@@H+]1CCCC[C@@H]1CC[NH2+]C ZINC000070593394 1165930293 /nfs/dbraw/zinc/93/02/93/1165930293.db2.gz SWVPQXFLXCVDRK-CYBMUJFWSA-N 2 1 210.365 2.417 20 30 BEEDMP CC[NH+]1CCC([NH+]2CCC(CC#N)CC2)CC1 ZINC001169258959 969542290 /nfs/dbraw/zinc/54/22/90/969542290.db2.gz WGQRYOXWJTZFTD-UHFFFAOYSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524600 969710171 /nfs/dbraw/zinc/71/01/71/969710171.db2.gz XLSYPXWXPRRFMO-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524600 969710177 /nfs/dbraw/zinc/71/01/77/969710177.db2.gz XLSYPXWXPRRFMO-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001254524600 969710180 /nfs/dbraw/zinc/71/01/80/969710180.db2.gz XLSYPXWXPRRFMO-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CC[C@H](C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325598 975275350 /nfs/dbraw/zinc/27/53/50/975275350.db2.gz LJKSKCXHMIATQY-ROKHWSDSSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CCOC1CCC([N@H+](C)C[C@@H](C)C[NH3+])CC1 ZINC001173316947 975305716 /nfs/dbraw/zinc/30/57/16/975305716.db2.gz PMFVJXOSWPUSER-HSBZDZAISA-N 2 1 240.391 2.027 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000696104795 1167654017 /nfs/dbraw/zinc/65/40/17/1167654017.db2.gz MXZAYZMNUNYPOH-CVEARBPZSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000696104795 1167654019 /nfs/dbraw/zinc/65/40/19/1167654019.db2.gz MXZAYZMNUNYPOH-CVEARBPZSA-N 2 1 248.414 2.500 20 30 BEEDMP CCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235256794 979011554 /nfs/dbraw/zinc/01/15/54/979011554.db2.gz GSSOVRBSBBROES-QWHCGFSZSA-N 2 1 210.365 2.251 20 30 BEEDMP C#CC(CC)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256612392 970879145 /nfs/dbraw/zinc/87/91/45/970879145.db2.gz KBWPFQNTCPPNPQ-AGUYFDCRSA-N 2 1 234.387 2.393 20 30 BEEDMP C#CC(CC)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256612392 970879148 /nfs/dbraw/zinc/87/91/48/970879148.db2.gz KBWPFQNTCPPNPQ-AGUYFDCRSA-N 2 1 234.387 2.393 20 30 BEEDMP SCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904698 971022869 /nfs/dbraw/zinc/02/28/69/971022869.db2.gz LVSZOONWOMFDSO-LBPRGKRZSA-N 2 1 242.432 2.303 20 30 BEEDMP SCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904698 971022877 /nfs/dbraw/zinc/02/28/77/971022877.db2.gz LVSZOONWOMFDSO-LBPRGKRZSA-N 2 1 242.432 2.303 20 30 BEEDMP N#CC1CCC(n2cc[nH+]c2CCC[NH3+])CC1 ZINC001256965009 971026199 /nfs/dbraw/zinc/02/61/99/971026199.db2.gz JFOUCVVRGSSAHS-UHFFFAOYSA-N 2 1 232.331 2.029 20 30 BEEDMP CC[N@@H+](CCC[NH+](C)C)C1CCC(C#N)CC1 ZINC001256971875 971051700 /nfs/dbraw/zinc/05/17/00/971051700.db2.gz NVGRCYQNCYVNBG-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001257218947 971135033 /nfs/dbraw/zinc/13/50/33/971135033.db2.gz ZZDAOTOPPFHJTQ-CQSZACIVSA-N 2 1 249.402 2.485 20 30 BEEDMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001257218947 971135039 /nfs/dbraw/zinc/13/50/39/971135039.db2.gz ZZDAOTOPPFHJTQ-CQSZACIVSA-N 2 1 249.402 2.485 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258017167 971559281 /nfs/dbraw/zinc/55/92/81/971559281.db2.gz URTPWYGRHURKKD-OAHLLOKOSA-N 2 1 248.414 2.452 20 30 BEEDMP C#CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172100408 974346874 /nfs/dbraw/zinc/34/68/74/974346874.db2.gz PYUNXZLNEDYHEX-ZSOGYDGISA-N 2 1 220.360 2.005 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237467 972414340 /nfs/dbraw/zinc/41/43/40/972414340.db2.gz KRRZASFKMVUMCT-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP N#Cc1ccc(C[N@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206632651 962141845 /nfs/dbraw/zinc/14/18/45/962141845.db2.gz MZSVWFZCOXFHOH-NSHDSACASA-N 2 1 249.383 2.181 20 30 BEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206632651 962141861 /nfs/dbraw/zinc/14/18/61/962141861.db2.gz MZSVWFZCOXFHOH-NSHDSACASA-N 2 1 249.383 2.181 20 30 BEEDMP Cc1[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1CC#N ZINC001154988721 962935097 /nfs/dbraw/zinc/93/50/97/962935097.db2.gz RMXMCVZBYLJQRU-CHWSQXEVSA-N 2 1 244.342 2.138 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254669351 1169821031 /nfs/dbraw/zinc/82/10/31/1169821031.db2.gz RINXBGDARFUTBA-JSGCOSHPSA-N 2 1 235.375 2.095 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254669351 1169821038 /nfs/dbraw/zinc/82/10/38/1169821038.db2.gz RINXBGDARFUTBA-JSGCOSHPSA-N 2 1 235.375 2.095 20 30 BEEDMP Cc1[nH+]c(NC2(C)CC[NH2+]CC2)ccc1CC#N ZINC001157402872 963596370 /nfs/dbraw/zinc/59/63/70/963596370.db2.gz HVIPKXPZZQECEP-UHFFFAOYSA-N 2 1 244.342 2.010 20 30 BEEDMP C[C@@]1([NH3+])CCC[N@H+](Cc2ccccc2C#N)CC1 ZINC001205263887 967456733 /nfs/dbraw/zinc/45/67/33/967456733.db2.gz DVAODVNCHGFRRV-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC001205263887 967456738 /nfs/dbraw/zinc/45/67/38/967456738.db2.gz DVAODVNCHGFRRV-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP C[NH+]1CCC(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001207398887 968744480 /nfs/dbraw/zinc/74/44/80/968744480.db2.gz TVGGAOYZRXXFRT-QKDCVEJESA-N 2 1 247.386 2.095 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001207836217 968897132 /nfs/dbraw/zinc/89/71/32/968897132.db2.gz HQPFVMIUVUMYOA-XDQVBPFNSA-N 2 1 222.376 2.271 20 30 BEEDMP C=CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C(C)(C)C ZINC001253395516 969153040 /nfs/dbraw/zinc/15/30/40/969153040.db2.gz IFPDSSXAYQWKBB-GFCCVEGCSA-N 2 1 242.407 2.022 20 30 BEEDMP C[N@@H+]1CCC[C@@H](C[NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607969 969162486 /nfs/dbraw/zinc/16/24/86/969162486.db2.gz DUQDUGJIOFHFMI-TUVASFSCSA-N 2 1 247.386 2.095 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607969 969162492 /nfs/dbraw/zinc/16/24/92/969162492.db2.gz DUQDUGJIOFHFMI-TUVASFSCSA-N 2 1 247.386 2.095 20 30 BEEDMP C[NH+]1CCC[C@@H](C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607969 969162501 /nfs/dbraw/zinc/16/25/01/969162501.db2.gz DUQDUGJIOFHFMI-TUVASFSCSA-N 2 1 247.386 2.095 20 30 BEEDMP C[NH+]1CCC[C@@H](C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607969 969162509 /nfs/dbraw/zinc/16/25/09/969162509.db2.gz DUQDUGJIOFHFMI-TUVASFSCSA-N 2 1 247.386 2.095 20 30 BEEDMP C=CCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001209208086 969398149 /nfs/dbraw/zinc/39/81/49/969398149.db2.gz KAENGAXPVRKVRK-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209208086 969398152 /nfs/dbraw/zinc/39/81/52/969398152.db2.gz KAENGAXPVRKVRK-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209208086 969398160 /nfs/dbraw/zinc/39/81/60/969398160.db2.gz KAENGAXPVRKVRK-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP CC[C@@H](CC#N)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001255175054 969993493 /nfs/dbraw/zinc/99/34/93/969993493.db2.gz MDFMTAVJIMRXPO-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP N#C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC001256067186 970629995 /nfs/dbraw/zinc/62/99/95/970629995.db2.gz FFADTRBXAJWTHY-BETUJISGSA-N 2 1 247.386 2.285 20 30 BEEDMP N#C[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256078657 970645826 /nfs/dbraw/zinc/64/58/26/970645826.db2.gz CJPDZUUMEBGUFZ-ZDUSSCGKSA-N 2 1 247.386 2.239 20 30 BEEDMP N#C[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256078657 970645834 /nfs/dbraw/zinc/64/58/34/970645834.db2.gz CJPDZUUMEBGUFZ-ZDUSSCGKSA-N 2 1 247.386 2.239 20 30 BEEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246548878 972690523 /nfs/dbraw/zinc/69/05/23/972690523.db2.gz KQLQFNWMADYNBH-OLZOCXBDSA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589649 972988690 /nfs/dbraw/zinc/98/86/90/972988690.db2.gz SYAFKILCHHESGQ-TUAOUCFPSA-N 2 1 214.328 2.102 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001246589649 972988700 /nfs/dbraw/zinc/98/87/00/972988700.db2.gz SYAFKILCHHESGQ-TUAOUCFPSA-N 2 1 214.328 2.102 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246933138 973594763 /nfs/dbraw/zinc/59/47/63/973594763.db2.gz QRORBQYPXQTUIQ-MELADBBJSA-N 2 1 222.376 2.273 20 30 BEEDMP C#C[C@@H](C)[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624817 974117661 /nfs/dbraw/zinc/11/76/61/974117661.db2.gz YRKHMOPMBIZDDA-LLVKDONJSA-N 2 1 222.376 2.249 20 30 BEEDMP C=CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126658 974350263 /nfs/dbraw/zinc/35/02/63/974350263.db2.gz XUJDUUKJIGZFPM-CLLJXQQHSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126658 974350268 /nfs/dbraw/zinc/35/02/68/974350268.db2.gz XUJDUUKJIGZFPM-CLLJXQQHSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126658 974350274 /nfs/dbraw/zinc/35/02/74/974350274.db2.gz XUJDUUKJIGZFPM-CLLJXQQHSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CC[NH+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126658 974350284 /nfs/dbraw/zinc/35/02/84/974350284.db2.gz XUJDUUKJIGZFPM-CLLJXQQHSA-N 2 1 208.349 2.120 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCC#N)C2 ZINC001172107536 974365716 /nfs/dbraw/zinc/36/57/16/974365716.db2.gz ZHXOWTFTEUQODZ-ZSOGYDGISA-N 2 1 235.375 2.285 20 30 BEEDMP C[C@@H](CCCC#N)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC001172484278 974785927 /nfs/dbraw/zinc/78/59/27/974785927.db2.gz ZVAHUPGZMQKEHQ-STQMWFEESA-N 2 1 223.364 2.143 20 30 BEEDMP C[C@H](CCCC#N)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC001172489268 974835219 /nfs/dbraw/zinc/83/52/19/974835219.db2.gz PMIGCIFYUJGIPX-GFCCVEGCSA-N 2 1 235.375 2.285 20 30 BEEDMP C[C@H](CCCC#N)n1cc[nH+]c1CCC[NH3+] ZINC001172492957 974842244 /nfs/dbraw/zinc/84/22/44/974842244.db2.gz VRGUDFRDPHLYBA-LLVKDONJSA-N 2 1 220.320 2.029 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001172499178 974850916 /nfs/dbraw/zinc/85/09/16/974850916.db2.gz BQXDASGWWUUCLO-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000327981260 978005027 /nfs/dbraw/zinc/00/50/27/978005027.db2.gz AARKZOWEGNYSED-ZDUSSCGKSA-N 2 1 224.392 2.213 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](C)C(C)(C)C ZINC000327981260 978005045 /nfs/dbraw/zinc/00/50/45/978005045.db2.gz AARKZOWEGNYSED-ZDUSSCGKSA-N 2 1 224.392 2.213 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206297240 978313244 /nfs/dbraw/zinc/31/32/44/978313244.db2.gz WWAUJKCQFCGYNX-CYBMUJFWSA-N 2 1 210.365 2.404 20 30 BEEDMP C=CCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235008596 978951114 /nfs/dbraw/zinc/95/11/14/978951114.db2.gz YDHNYJJIVVIWID-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235008596 978951122 /nfs/dbraw/zinc/95/11/22/978951122.db2.gz YDHNYJJIVVIWID-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP CCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235256789 979011786 /nfs/dbraw/zinc/01/17/86/979011786.db2.gz GSSOVRBSBBROES-CHWSQXEVSA-N 2 1 210.365 2.251 20 30 BEEDMP C=CCCCCCC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236018593 979311440 /nfs/dbraw/zinc/31/14/40/979311440.db2.gz VUCHSHWBCYGYHR-CHWSQXEVSA-N 2 1 208.349 2.156 20 30 BEEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236018593 979311453 /nfs/dbraw/zinc/31/14/53/979311453.db2.gz VUCHSHWBCYGYHR-CHWSQXEVSA-N 2 1 208.349 2.156 20 30 BEEDMP C=CCCCC[N@@H+](C)C[C@H]1CCCC[NH2+]1 ZINC001236085663 979372891 /nfs/dbraw/zinc/37/28/91/979372891.db2.gz UNQXPSSQOJUAOG-CYBMUJFWSA-N 2 1 210.365 2.417 20 30 BEEDMP C=CCCCC[N@H+](C)C[C@H]1CCCC[NH2+]1 ZINC001236085663 979372898 /nfs/dbraw/zinc/37/28/98/979372898.db2.gz UNQXPSSQOJUAOG-CYBMUJFWSA-N 2 1 210.365 2.417 20 30 BEEDMP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001205265261 979821673 /nfs/dbraw/zinc/82/16/73/979821673.db2.gz PFGGUIITJKQXIH-HNNXBMFYSA-N 2 1 243.354 2.262 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001258718907 986046631 /nfs/dbraw/zinc/04/66/31/986046631.db2.gz XEFZMQABEIYLGU-STQMWFEESA-N 2 1 210.365 2.415 20 30 BEEDMP Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1C#N ZINC001579601308 986120998 /nfs/dbraw/zinc/12/09/98/986120998.db2.gz NDTYHORMUYPNBO-HUUCEWRRSA-N 2 1 243.354 2.226 20 30 BEEDMP C#CCCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001462664357 986498057 /nfs/dbraw/zinc/49/80/57/986498057.db2.gz GVMPFMGKCVFDMR-OWCLPIDISA-N 2 1 248.414 2.500 20 30 BEEDMP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC001254641878 986692922 /nfs/dbraw/zinc/69/29/22/986692922.db2.gz AZGWIORCMRRJCW-ZQNQSHIBSA-N 2 1 247.386 2.284 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC001254641878 986692941 /nfs/dbraw/zinc/69/29/41/986692941.db2.gz AZGWIORCMRRJCW-ZQNQSHIBSA-N 2 1 247.386 2.284 20 30 BEEDMP CCCCCCCC[C@@H](O)C[N@@H+](C)CCC[NH3+] ZINC001246041454 987341635 /nfs/dbraw/zinc/34/16/35/987341635.db2.gz ZGUHWMNVKLNXEY-CQSZACIVSA-N 2 1 244.423 2.379 20 30 BEEDMP C[C@@H](CC[NH2+]Cc1cc(C#N)cs1)[NH+](C)C ZINC000697908066 987370080 /nfs/dbraw/zinc/37/00/80/987370080.db2.gz GWHFDNRMSISPAK-JTQLQIEISA-N 2 1 237.372 2.050 20 30 BEEDMP C[N@H+]1C[C@@H]2CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]2C1 ZINC001474302780 987682643 /nfs/dbraw/zinc/68/26/43/987682643.db2.gz GEJXLFNMOJCPGV-MELADBBJSA-N 2 1 249.402 2.246 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553699 987957964 /nfs/dbraw/zinc/95/79/64/987957964.db2.gz BWCHHJBHVPVTCA-QWRGUYRKSA-N 2 1 232.318 2.257 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001246561486 987989183 /nfs/dbraw/zinc/98/91/83/987989183.db2.gz TXSOKNLAHWNNQN-STQMWFEESA-N 2 1 241.354 2.222 20 30 BEEDMP C[C@@H]1CC[N@H+](C2CCC(C#N)CC2)CC[C@@H]1C[NH3+] ZINC001246560728 987995435 /nfs/dbraw/zinc/99/54/35/987995435.db2.gz SICDTCBFVOSLCM-FEWQNLEASA-N 2 1 249.402 2.376 20 30 BEEDMP C[C@]1(C[NH3+])CCCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001246578844 988099422 /nfs/dbraw/zinc/09/94/22/988099422.db2.gz CXCZNVXHPPEERC-HZSPNIEDSA-N 2 1 235.375 2.130 20 30 BEEDMP C=CC[N@@H+]([C@@H]1CCCC[NH2+]C1)C(C)(C)C ZINC001246919749 988731230 /nfs/dbraw/zinc/73/12/30/988731230.db2.gz KMPFVSRTTWSFGP-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[N@H+]([C@@H]1CCCC[NH2+]C1)C(C)(C)C ZINC001246919749 988731219 /nfs/dbraw/zinc/73/12/19/988731219.db2.gz KMPFVSRTTWSFGP-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001246983462 988814400 /nfs/dbraw/zinc/81/44/00/988814400.db2.gz PWORUMNBMTXLES-HZSPNIEDSA-N 2 1 242.407 2.393 20 30 BEEDMP C#CC[N@@H+](CCC[NH+]1CCCCC1)CC1CC1 ZINC001325983195 989319966 /nfs/dbraw/zinc/31/99/66/989319966.db2.gz LENCRWICTOBWML-UHFFFAOYSA-N 2 1 234.387 2.208 20 30 BEEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](CCC)CC2)C1 ZINC001258775626 991740489 /nfs/dbraw/zinc/74/04/89/991740489.db2.gz WRHLAWZMCZHPNL-AWEZNQCLSA-N 2 1 234.387 2.206 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001321355332 992521447 /nfs/dbraw/zinc/52/14/47/992521447.db2.gz OMLMGVVZLHRLKW-BFHYXJOUSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CCC(C)(C)C[NH2+]C[C@H]([NH3+])CC(F)F ZINC001574890559 992937131 /nfs/dbraw/zinc/93/71/31/992937131.db2.gz ZWJSIIKTZQDXGB-SECBINFHSA-N 2 1 220.307 2.161 20 30 BEEDMP CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC[C@@H]([NH3+])C1 ZINC001575132653 992998069 /nfs/dbraw/zinc/99/80/69/992998069.db2.gz KWVYBYRUMPUDBX-QWHCGFSZSA-N 2 1 237.391 2.376 20 30 BEEDMP CC(C)C[N@@H+](CCC#N)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001575594376 993080063 /nfs/dbraw/zinc/08/00/63/993080063.db2.gz YSLUKGSEBPBIJP-GOOCMWNKSA-N 2 1 249.402 2.389 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001307518155 995394785 /nfs/dbraw/zinc/39/47/85/995394785.db2.gz NYRCZTGUDUQYCI-ZBFHGGJFSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC001307518155 995394796 /nfs/dbraw/zinc/39/47/96/995394796.db2.gz NYRCZTGUDUQYCI-ZBFHGGJFSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001307518155 995394801 /nfs/dbraw/zinc/39/48/01/995394801.db2.gz NYRCZTGUDUQYCI-ZBFHGGJFSA-N 2 1 248.414 2.452 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001307518155 995394811 /nfs/dbraw/zinc/39/48/11/995394811.db2.gz NYRCZTGUDUQYCI-ZBFHGGJFSA-N 2 1 248.414 2.452 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000602487089 349569538 /nfs/dbraw/zinc/56/95/38/349569538.db2.gz SWHWFOFGMOYGLA-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000602487089 349569541 /nfs/dbraw/zinc/56/95/41/349569541.db2.gz SWHWFOFGMOYGLA-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000602487089 349569545 /nfs/dbraw/zinc/56/95/45/349569545.db2.gz SWHWFOFGMOYGLA-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602524877 349576773 /nfs/dbraw/zinc/57/67/73/349576773.db2.gz GTGQZNYKLWCOMY-KBPBESRZSA-N 2 1 237.391 2.248 20 30 BEEDMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602525949 349577598 /nfs/dbraw/zinc/57/75/98/349577598.db2.gz UHRLDWUWRMZREA-KBPBESRZSA-N 2 1 237.391 2.248 20 30 BEEDMP CC(C)[N@H+](C)CCC[NH2+]C[C@H](C)CCC#N ZINC000602509664 349584290 /nfs/dbraw/zinc/58/42/90/349584290.db2.gz GWEOACYUSBKSFW-CYBMUJFWSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[NH+](CC)[C@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602511858 349584965 /nfs/dbraw/zinc/58/49/65/349584965.db2.gz VABARXSJXBUREA-QWHCGFSZSA-N 2 1 225.380 2.246 20 30 BEEDMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CCC#N)CC1 ZINC000259934910 349617534 /nfs/dbraw/zinc/61/75/34/349617534.db2.gz HWDAIVGAJKLJHH-HNNXBMFYSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@@H](CCC#N)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000602638259 349652367 /nfs/dbraw/zinc/65/23/67/349652367.db2.gz OTFVQVHRENEXRN-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602658437 349663635 /nfs/dbraw/zinc/66/36/35/349663635.db2.gz XNFRCENUGVUELM-UONOGXRCSA-N 2 1 237.391 2.246 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000602685279 349677269 /nfs/dbraw/zinc/67/72/69/349677269.db2.gz FDCILGGWWKVCAG-CYBMUJFWSA-N 2 1 237.391 2.390 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000602664435 349683872 /nfs/dbraw/zinc/68/38/72/349683872.db2.gz DBVNSBIOKICVFV-MGPQQGTHSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000602664435 349683879 /nfs/dbraw/zinc/68/38/79/349683879.db2.gz DBVNSBIOKICVFV-MGPQQGTHSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000602664435 349683882 /nfs/dbraw/zinc/68/38/82/349683882.db2.gz DBVNSBIOKICVFV-MGPQQGTHSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000602664435 349683887 /nfs/dbraw/zinc/68/38/87/349683887.db2.gz DBVNSBIOKICVFV-MGPQQGTHSA-N 2 1 237.391 2.198 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602725412 349714829 /nfs/dbraw/zinc/71/48/29/349714829.db2.gz ZPNMUOQJTWKAQH-SHARSMKWSA-N 2 1 249.402 2.390 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602796071 349737634 /nfs/dbraw/zinc/73/76/34/349737634.db2.gz VGDLAPRSYUXPIJ-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602796071 349737636 /nfs/dbraw/zinc/73/76/36/349737636.db2.gz VGDLAPRSYUXPIJ-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)[C@@H](C)C1 ZINC000602796071 349737638 /nfs/dbraw/zinc/73/76/38/349737638.db2.gz VGDLAPRSYUXPIJ-KBPBESRZSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000602831913 349767837 /nfs/dbraw/zinc/76/78/37/349767837.db2.gz LORAJZLHNYASBZ-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3(CC#N)CC3)C2)C1 ZINC000602831913 349767841 /nfs/dbraw/zinc/76/78/41/349767841.db2.gz LORAJZLHNYASBZ-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3(CC#N)CC3)C2)C1 ZINC000602831913 349767844 /nfs/dbraw/zinc/76/78/44/349767844.db2.gz LORAJZLHNYASBZ-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3(CC#N)CC3)C2)C1 ZINC000602831913 349767847 /nfs/dbraw/zinc/76/78/47/349767847.db2.gz LORAJZLHNYASBZ-OAHLLOKOSA-N 2 1 247.386 2.098 20 30 BEEDMP C[NH+]1CCC2(CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000602877705 349789944 /nfs/dbraw/zinc/78/99/44/349789944.db2.gz KMRUJNOXXAQXOU-KBPBESRZSA-N 2 1 247.386 2.096 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339012285 136280210 /nfs/dbraw/zinc/28/02/10/136280210.db2.gz JIPZDTCWVUWAOR-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339012285 136280211 /nfs/dbraw/zinc/28/02/11/136280211.db2.gz JIPZDTCWVUWAOR-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339012287 136280213 /nfs/dbraw/zinc/28/02/13/136280213.db2.gz JIPZDTCWVUWAOR-SOUVJXGZSA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339012287 136280214 /nfs/dbraw/zinc/28/02/14/136280214.db2.gz JIPZDTCWVUWAOR-SOUVJXGZSA-N 2 1 249.402 2.342 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602979171 349843431 /nfs/dbraw/zinc/84/34/31/349843431.db2.gz AQOJEBKFWBSWAD-KBPBESRZSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602979171 349843435 /nfs/dbraw/zinc/84/34/35/349843435.db2.gz AQOJEBKFWBSWAD-KBPBESRZSA-N 2 1 246.358 2.206 20 30 BEEDMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361462119 535002945 /nfs/dbraw/zinc/00/29/45/535002945.db2.gz FCJFSBASWNZXDF-UONOGXRCSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000309599351 347114101 /nfs/dbraw/zinc/11/41/01/347114101.db2.gz XFHFHOQZWZYIMF-REWJHTLYSA-N 2 1 222.376 2.413 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000309599346 347114529 /nfs/dbraw/zinc/11/45/29/347114529.db2.gz XFHFHOQZWZYIMF-FQUUOJAGSA-N 2 1 222.376 2.413 20 30 BEEDMP C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H](C)[NH3+] ZINC000591579975 347677921 /nfs/dbraw/zinc/67/79/21/347677921.db2.gz COHBDLKBXJQWRR-RWSFTLGLSA-N 2 1 243.354 2.261 20 30 BEEDMP C[C@@]1(C#N)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000595905548 348396045 /nfs/dbraw/zinc/39/60/45/348396045.db2.gz VECKYOQTSSTSGE-AWEZNQCLSA-N 2 1 235.375 2.002 20 30 BEEDMP C=CCCSCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000596650556 348605929 /nfs/dbraw/zinc/60/59/29/348605929.db2.gz LNWAKKARSDGCPP-NEPJUHHUSA-N 2 1 228.405 2.026 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598964564 349068781 /nfs/dbraw/zinc/06/87/81/349068781.db2.gz XMAQWFVQVBXJSZ-GFCCVEGCSA-N 2 1 242.432 2.368 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)CC1(C)C ZINC000598981940 349076468 /nfs/dbraw/zinc/07/64/68/349076468.db2.gz SSCLROHWMDLPCZ-LBPRGKRZSA-N 2 1 237.391 2.389 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000599071835 349087635 /nfs/dbraw/zinc/08/76/35/349087635.db2.gz UQFFPVLXUZYXOF-BFHYXJOUSA-N 2 1 235.375 2.000 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000599071122 349088208 /nfs/dbraw/zinc/08/82/08/349088208.db2.gz QOTUSEWDOUGCIK-RRFJBIMHSA-N 2 1 249.402 2.390 20 30 BEEDMP CC#CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000155806353 191081635 /nfs/dbraw/zinc/08/16/35/191081635.db2.gz KCGBMQQNKQROTK-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP CC#CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000155806353 191081636 /nfs/dbraw/zinc/08/16/36/191081636.db2.gz KCGBMQQNKQROTK-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP CC#CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000155806353 191081638 /nfs/dbraw/zinc/08/16/38/191081638.db2.gz KCGBMQQNKQROTK-CQSZACIVSA-N 2 1 222.376 2.206 20 30 BEEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CCCC#N)C[C@H]1C ZINC000336669131 350432925 /nfs/dbraw/zinc/43/29/25/350432925.db2.gz HVLJENHNCWLYBG-CHWSQXEVSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC#N)C[C@H]1C ZINC000336669131 350432928 /nfs/dbraw/zinc/43/29/28/350432928.db2.gz HVLJENHNCWLYBG-CHWSQXEVSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC#N)C[C@H]1C ZINC000336669131 350432930 /nfs/dbraw/zinc/43/29/30/350432930.db2.gz HVLJENHNCWLYBG-CHWSQXEVSA-N 2 1 223.364 2.095 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC#N)C[C@H]1C ZINC000336669131 350432933 /nfs/dbraw/zinc/43/29/33/350432933.db2.gz HVLJENHNCWLYBG-CHWSQXEVSA-N 2 1 223.364 2.095 20 30 BEEDMP CC#CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336703819 350454765 /nfs/dbraw/zinc/45/47/65/350454765.db2.gz QHCWGFPXTZSBTI-KBPBESRZSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336703819 350454766 /nfs/dbraw/zinc/45/47/66/350454766.db2.gz QHCWGFPXTZSBTI-KBPBESRZSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336703819 350454767 /nfs/dbraw/zinc/45/47/67/350454767.db2.gz QHCWGFPXTZSBTI-KBPBESRZSA-N 2 1 222.376 2.204 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542427 362959640 /nfs/dbraw/zinc/95/96/40/362959640.db2.gz AEOABGQLCYHNEF-GFCCVEGCSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000336656713 350615441 /nfs/dbraw/zinc/61/54/41/350615441.db2.gz LVYUUKDHIBYPML-UHFFFAOYSA-N 2 1 210.365 2.273 20 30 BEEDMP CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122329338 362975820 /nfs/dbraw/zinc/97/58/20/362975820.db2.gz PQEHUDYAUASPFW-CABCVRRESA-N 2 1 243.354 2.117 20 30 BEEDMP CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122329338 362975824 /nfs/dbraw/zinc/97/58/24/362975824.db2.gz PQEHUDYAUASPFW-CABCVRRESA-N 2 1 243.354 2.117 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000278276710 351754063 /nfs/dbraw/zinc/75/40/63/351754063.db2.gz PMQMYKVDXZZDEQ-UONOGXRCSA-N 2 1 246.358 2.254 20 30 BEEDMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CCC#N ZINC000618888364 352166164 /nfs/dbraw/zinc/16/61/64/352166164.db2.gz QXZILFDOYJBVDL-KFWWJZLASA-N 2 1 249.402 2.485 20 30 BEEDMP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000290080723 352209678 /nfs/dbraw/zinc/20/96/78/352209678.db2.gz LWVFXQFELHVYHH-INIZCTEOSA-N 2 1 242.366 2.099 20 30 BEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411300915 191176049 /nfs/dbraw/zinc/17/60/49/191176049.db2.gz RAVYIEHOCWGFOA-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411300915 191176051 /nfs/dbraw/zinc/17/60/51/191176051.db2.gz RAVYIEHOCWGFOA-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000070169503 181103307 /nfs/dbraw/zinc/10/33/07/181103307.db2.gz KCNQKKUSLKSVEN-AWEZNQCLSA-N 2 1 243.354 2.119 20 30 BEEDMP C=CCOc1cccc(C[N@@H+]2CC[C@H](C[NH3+])C2)c1 ZINC000347020958 355206709 /nfs/dbraw/zinc/20/67/09/355206709.db2.gz NKUWCWNYQGNMIJ-CQSZACIVSA-N 2 1 246.354 2.032 20 30 BEEDMP C=CCOc1cccc(C[NH2+]C[C@@H]([NH3+])CC)c1 ZINC000414972237 191637382 /nfs/dbraw/zinc/63/73/82/191637382.db2.gz ANJXMTRZUOZNKJ-ZDUSSCGKSA-N 2 1 234.343 2.078 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420320306 192195215 /nfs/dbraw/zinc/19/52/15/192195215.db2.gz BDSSQDGZMJVCAB-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(C#N)cc1 ZINC000420366575 192226145 /nfs/dbraw/zinc/22/61/45/192226145.db2.gz RLSQXAMCYPOQJC-ZDUSSCGKSA-N 2 1 231.343 2.021 20 30 BEEDMP C=CCCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420403771 192238141 /nfs/dbraw/zinc/23/81/41/192238141.db2.gz RPJFUMDHACMGPY-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP N#CCCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423027036 192544128 /nfs/dbraw/zinc/54/41/28/192544128.db2.gz CRZKSWRWQYHBAM-STQMWFEESA-N 2 1 215.300 2.025 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C1CC[NH+](CC)CC1 ZINC000126728775 358554034 /nfs/dbraw/zinc/55/40/34/358554034.db2.gz HTEIAVNMYOIHAI-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP N#CCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247024417 359185238 /nfs/dbraw/zinc/18/52/38/359185238.db2.gz YCTWEEMYHMLKNT-UKRRQHHQSA-N 2 1 247.386 2.239 20 30 BEEDMP N#CCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000247024417 359185241 /nfs/dbraw/zinc/18/52/41/359185241.db2.gz YCTWEEMYHMLKNT-UKRRQHHQSA-N 2 1 247.386 2.239 20 30 BEEDMP N#CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000247024417 359185244 /nfs/dbraw/zinc/18/52/44/359185244.db2.gz YCTWEEMYHMLKNT-UKRRQHHQSA-N 2 1 247.386 2.239 20 30 BEEDMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056981 359191112 /nfs/dbraw/zinc/19/11/12/359191112.db2.gz ZNUPZMDUHMUJTN-GXTWGEPZSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247056981 359191117 /nfs/dbraw/zinc/19/11/17/359191117.db2.gz ZNUPZMDUHMUJTN-GXTWGEPZSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247056981 359191119 /nfs/dbraw/zinc/19/11/19/359191119.db2.gz ZNUPZMDUHMUJTN-GXTWGEPZSA-N 2 1 220.360 2.121 20 30 BEEDMP C=CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247056981 359191122 /nfs/dbraw/zinc/19/11/22/359191122.db2.gz ZNUPZMDUHMUJTN-GXTWGEPZSA-N 2 1 220.360 2.121 20 30 BEEDMP CC(C)(C)[C@H](CN)[NH2+]Cc1cccc(C#N)c1 ZINC000580451901 359559518 /nfs/dbraw/zinc/55/95/18/359559518.db2.gz NFCOPLVPZNNQJA-ZDUSSCGKSA-N 2 1 231.343 2.021 20 30 BEEDMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000580451901 359559520 /nfs/dbraw/zinc/55/95/20/359559520.db2.gz NFCOPLVPZNNQJA-ZDUSSCGKSA-N 2 1 231.343 2.021 20 30 BEEDMP C=C(C)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081630976 359608192 /nfs/dbraw/zinc/60/81/92/359608192.db2.gz CTTVZOVFZNXURB-AWEZNQCLSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081630976 359608193 /nfs/dbraw/zinc/60/81/93/359608193.db2.gz CTTVZOVFZNXURB-AWEZNQCLSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081630976 359608194 /nfs/dbraw/zinc/60/81/94/359608194.db2.gz CTTVZOVFZNXURB-AWEZNQCLSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCOCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474165 360406957 /nfs/dbraw/zinc/40/69/57/360406957.db2.gz SXMTZIYRMFZTHH-ZDUSSCGKSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629396361 361043998 /nfs/dbraw/zinc/04/39/98/361043998.db2.gz LCKTVGGSEOIUFQ-AVGNSLFASA-N 2 1 210.365 2.461 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429693144 201125625 /nfs/dbraw/zinc/12/56/25/201125625.db2.gz YQIUSOJAEWBWSP-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429693144 201125629 /nfs/dbraw/zinc/12/56/29/201125629.db2.gz YQIUSOJAEWBWSP-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429693144 201125631 /nfs/dbraw/zinc/12/56/31/201125631.db2.gz YQIUSOJAEWBWSP-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000429688645 201126140 /nfs/dbraw/zinc/12/61/40/201126140.db2.gz CRZPVQYIVJSEDE-KFWWJZLASA-N 2 1 247.386 2.096 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629649969 361546637 /nfs/dbraw/zinc/54/66/37/361546637.db2.gz MOEIGRZOANEHNK-OLZOCXBDSA-N 2 1 210.365 2.258 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC)CC1 ZINC000153012777 201217549 /nfs/dbraw/zinc/21/75/49/201217549.db2.gz JQTXVQYQHBWHOX-LBPRGKRZSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CC[N@@H+](CCC[NH2+]C)Cc1ccccc1 ZINC000435868366 201291044 /nfs/dbraw/zinc/29/10/44/201291044.db2.gz DTLHFFDMLCLGKP-UHFFFAOYSA-N 2 1 218.344 2.284 20 30 BEEDMP C=CC[N@H+](CCC[NH2+]C)Cc1ccccc1 ZINC000435868366 201291046 /nfs/dbraw/zinc/29/10/46/201291046.db2.gz DTLHFFDMLCLGKP-UHFFFAOYSA-N 2 1 218.344 2.284 20 30 BEEDMP C=CCOc1ccc(C[N@@H+](C)CCC[NH2+]C)cc1 ZINC000435880405 201293708 /nfs/dbraw/zinc/29/37/08/201293708.db2.gz IVBBZHWRJUODBY-UHFFFAOYSA-N 2 1 248.370 2.293 20 30 BEEDMP C=CCOc1ccc(C[N@H+](C)CCC[NH2+]C)cc1 ZINC000435880405 201293710 /nfs/dbraw/zinc/29/37/10/201293710.db2.gz IVBBZHWRJUODBY-UHFFFAOYSA-N 2 1 248.370 2.293 20 30 BEEDMP C=CC[N@@H+](CCC[NH2+]C)CCc1ccccc1 ZINC000435883031 201294609 /nfs/dbraw/zinc/29/46/09/201294609.db2.gz IFDKVFINAMRBGB-UHFFFAOYSA-N 2 1 232.371 2.327 20 30 BEEDMP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C#N ZINC000600699493 363997452 /nfs/dbraw/zinc/99/74/52/363997452.db2.gz ASSCMXPBGXCVQY-DOMZBBRYSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1C#N ZINC000600699493 363997458 /nfs/dbraw/zinc/99/74/58/363997458.db2.gz ASSCMXPBGXCVQY-DOMZBBRYSA-N 2 1 243.354 2.036 20 30 BEEDMP C=CCOc1cccc(C[N@@H+](C)CCC[NH3+])c1 ZINC000573683650 364891953 /nfs/dbraw/zinc/89/19/53/364891953.db2.gz BEZSIKKKPXVBKQ-UHFFFAOYSA-N 2 1 234.343 2.032 20 30 BEEDMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000258896154 370858934 /nfs/dbraw/zinc/85/89/34/370858934.db2.gz VVTFSWVFOADJGG-SLTAFYQDSA-N 2 1 249.402 2.390 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000385505465 367838571 /nfs/dbraw/zinc/83/85/71/367838571.db2.gz QVFHAEJJVYDHOM-RYUDHWBXSA-N 2 1 210.365 2.271 20 30 BEEDMP C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)CC[N@H+]1C ZINC000405067974 369443454 /nfs/dbraw/zinc/44/34/54/369443454.db2.gz CBVZWVOIJJDXGI-OLZOCXBDSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000459782710 203368314 /nfs/dbraw/zinc/36/83/14/203368314.db2.gz MWDABCWQPXXQNE-KFWWJZLASA-N 2 1 249.402 2.390 20 30 BEEDMP CCC[N@H+](Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000600768291 369562444 /nfs/dbraw/zinc/56/24/44/369562444.db2.gz HAARKAWGYCOUPU-UHFFFAOYSA-N 2 1 247.342 2.115 20 30 BEEDMP CCC[N@@H+](Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000600768291 369562448 /nfs/dbraw/zinc/56/24/48/369562448.db2.gz HAARKAWGYCOUPU-UHFFFAOYSA-N 2 1 247.342 2.115 20 30 BEEDMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000601969200 369729079 /nfs/dbraw/zinc/72/90/79/369729079.db2.gz AMLBUQNMNIFEIF-NSHDSACASA-N 2 1 247.342 2.019 20 30 BEEDMP CC[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251826875 369973450 /nfs/dbraw/zinc/97/34/50/369973450.db2.gz PQEHUDYAUASPFW-LSDHHAIUSA-N 2 1 243.354 2.117 20 30 BEEDMP CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251826875 369973453 /nfs/dbraw/zinc/97/34/53/369973453.db2.gz PQEHUDYAUASPFW-LSDHHAIUSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000070074511 371008461 /nfs/dbraw/zinc/00/84/61/371008461.db2.gz ZSLQPXDAJVLCFY-OCCSQVGLSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000070074511 371008464 /nfs/dbraw/zinc/00/84/64/371008464.db2.gz ZSLQPXDAJVLCFY-OCCSQVGLSA-N 2 1 243.354 2.117 20 30 BEEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000353971456 169196016 /nfs/dbraw/zinc/19/60/16/169196016.db2.gz JZYKYHKBNFSZBN-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000353971456 169196017 /nfs/dbraw/zinc/19/60/17/169196017.db2.gz JZYKYHKBNFSZBN-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CC[N@H+]1C ZINC000135693670 384283426 /nfs/dbraw/zinc/28/34/26/384283426.db2.gz DDOXLMLHTGCNHL-GHMZBOCLSA-N 2 1 249.383 2.192 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCN1C ZINC000135693670 384283436 /nfs/dbraw/zinc/28/34/36/384283436.db2.gz DDOXLMLHTGCNHL-GHMZBOCLSA-N 2 1 249.383 2.192 20 30 BEEDMP C[C@@H]1C[C@H](C)[NH+](CC#CC[N@H+]2C[C@@H](C)C[C@H]2C)C1 ZINC000556497925 384415356 /nfs/dbraw/zinc/41/53/56/384415356.db2.gz RLIDPROBASSJSB-SYMSYNOKSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1C[C@H](C)[N@H+](CC#CC[NH+]2C[C@@H](C)C[C@H]2C)C1 ZINC000556497925 384415365 /nfs/dbraw/zinc/41/53/65/384415365.db2.gz RLIDPROBASSJSB-SYMSYNOKSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1C[C@H](C)[N@@H+](CC#CC[NH+]2C[C@@H](C)C[C@H]2C)C1 ZINC000556497925 384415375 /nfs/dbraw/zinc/41/53/75/384415375.db2.gz RLIDPROBASSJSB-SYMSYNOKSA-N 2 1 248.414 2.450 20 30 BEEDMP N#CCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150847181 384514781 /nfs/dbraw/zinc/51/47/81/384514781.db2.gz XNLQHFBAUROQHM-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C=CC[N@@H+](C)[C@@H]1CCC[NH+](CC=C)CC1 ZINC000156948576 385030022 /nfs/dbraw/zinc/03/00/22/385030022.db2.gz AAXRPHPHOOMGNA-CYBMUJFWSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[N@H+](C)[C@@H]1CCC[NH+](CC=C)CC1 ZINC000156948576 385030025 /nfs/dbraw/zinc/03/00/25/385030025.db2.gz AAXRPHPHOOMGNA-CYBMUJFWSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[NH+](C)[C@@H]1CCC[N@H+](CC=C)CC1 ZINC000156948576 385030030 /nfs/dbraw/zinc/03/00/30/385030030.db2.gz AAXRPHPHOOMGNA-CYBMUJFWSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CC[NH+](C)[C@@H]1CCC[N@@H+](CC=C)CC1 ZINC000156948576 385030032 /nfs/dbraw/zinc/03/00/32/385030032.db2.gz AAXRPHPHOOMGNA-CYBMUJFWSA-N 2 1 208.349 2.145 20 30 BEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000308786678 385103008 /nfs/dbraw/zinc/10/30/08/385103008.db2.gz GLWDKHHTUHFFER-YNEHKIRRSA-N 2 1 210.365 2.271 20 30 BEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(C)(C)C#N)C2 ZINC000595505257 385631330 /nfs/dbraw/zinc/63/13/30/385631330.db2.gz RJJIBBDDUVWVTH-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(C)(C)C#N)C2 ZINC000595505257 385631335 /nfs/dbraw/zinc/63/13/35/385631335.db2.gz RJJIBBDDUVWVTH-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(C)(C)C#N)C2 ZINC000595505257 385631340 /nfs/dbraw/zinc/63/13/40/385631340.db2.gz RJJIBBDDUVWVTH-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000595505780 385631999 /nfs/dbraw/zinc/63/19/99/385631999.db2.gz YFBDPYJVINTNRS-SOUVJXGZSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000595505780 385632005 /nfs/dbraw/zinc/63/20/05/385632005.db2.gz YFBDPYJVINTNRS-SOUVJXGZSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000595505780 385632008 /nfs/dbraw/zinc/63/20/08/385632008.db2.gz YFBDPYJVINTNRS-SOUVJXGZSA-N 2 1 247.386 2.096 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000221946438 385826847 /nfs/dbraw/zinc/82/68/47/385826847.db2.gz IXMUKACFFOKULK-RWMBFGLXSA-N 2 1 242.432 2.224 20 30 BEEDMP C=CCOc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1 ZINC000415013030 386495937 /nfs/dbraw/zinc/49/59/37/386495937.db2.gz ULQKVCSYDDLBOR-NWDGAFQWSA-N 2 1 234.343 2.077 20 30 BEEDMP C=CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415069399 386551517 /nfs/dbraw/zinc/55/15/17/386551517.db2.gz SLSSGTDNMLNUKO-DGCLKSJQSA-N 2 1 210.365 2.448 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229594327 387183402 /nfs/dbraw/zinc/18/34/02/387183402.db2.gz UINZFCOQXLQDJF-OLZOCXBDSA-N 2 1 237.391 2.246 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423355448 387205538 /nfs/dbraw/zinc/20/55/38/387205538.db2.gz FNGVNAAPKFGTKD-AGIUHOORSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502002 387356138 /nfs/dbraw/zinc/35/61/38/387356138.db2.gz VQCRLGDNVSNLJI-STQMWFEESA-N 2 1 210.365 2.463 20 30 BEEDMP C=C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000270696985 387434953 /nfs/dbraw/zinc/43/49/53/387434953.db2.gz XGKNKGYQPIHJLC-UHFFFAOYSA-N 2 1 219.332 2.234 20 30 BEEDMP C=C(Cl)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000267499406 387410677 /nfs/dbraw/zinc/41/06/77/387410677.db2.gz SCXGGXRJJFTMSZ-UHFFFAOYSA-N 2 1 225.723 2.342 20 30 BEEDMP C[NH+](C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353408360 387790086 /nfs/dbraw/zinc/79/00/86/387790086.db2.gz CXUOSYGJNMAWHV-HNNXBMFYSA-N 2 1 243.354 2.087 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422981703 387794503 /nfs/dbraw/zinc/79/45/03/387794503.db2.gz PAGBFNKMGBARSF-UWVGGRQHSA-N 2 1 205.305 2.109 20 30 BEEDMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000442709965 387826194 /nfs/dbraw/zinc/82/61/94/387826194.db2.gz BMPZJHOQZIZQFE-KFWWJZLASA-N 2 1 249.402 2.389 20 30 BEEDMP CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000442714871 387829164 /nfs/dbraw/zinc/82/91/64/387829164.db2.gz LVIWWDGXTQISRS-BFHYXJOUSA-N 2 1 235.375 2.143 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442773389 387837895 /nfs/dbraw/zinc/83/78/95/387837895.db2.gz CMYINOYPEUNKIB-UKRRQHHQSA-N 2 1 247.386 2.309 20 30 BEEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447536398 388076641 /nfs/dbraw/zinc/07/66/41/388076641.db2.gz MZNGMLXOKHKUKX-IHRRRGAJSA-N 2 1 237.391 2.389 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000447545307 388077065 /nfs/dbraw/zinc/07/70/65/388077065.db2.gz QZATXEGYHNLEKZ-AAVRWANBSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[N@H+]1C ZINC000447545307 388077068 /nfs/dbraw/zinc/07/70/68/388077068.db2.gz QZATXEGYHNLEKZ-AAVRWANBSA-N 2 1 235.375 2.141 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000447539200 388077532 /nfs/dbraw/zinc/07/75/32/388077532.db2.gz FUQCGXBMLLHQOB-BARDWOONSA-N 2 1 247.386 2.285 20 30 BEEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492636 388251853 /nfs/dbraw/zinc/25/18/53/388251853.db2.gz ALWWCSHOVURSOC-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000093492636 388251855 /nfs/dbraw/zinc/25/18/55/388251855.db2.gz ALWWCSHOVURSOC-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)C1 ZINC000449446971 388208576 /nfs/dbraw/zinc/20/85/76/388208576.db2.gz VBXZIDDJEQNFSP-AJNGGQMLSA-N 2 1 249.402 2.389 20 30 BEEDMP C=C(C)CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000449473313 388214046 /nfs/dbraw/zinc/21/40/46/388214046.db2.gz HPHVJUDNMCAKRI-STQMWFEESA-N 2 1 210.365 2.273 20 30 BEEDMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000037267153 388243204 /nfs/dbraw/zinc/24/32/04/388243204.db2.gz ZCJQZCWMSCOCLQ-LBPRGKRZSA-N 2 1 243.354 2.303 20 30 BEEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000491801985 388321674 /nfs/dbraw/zinc/32/16/74/388321674.db2.gz FCSABHZPSDJIRJ-UHFFFAOYSA-N 2 1 231.343 2.069 20 30 BEEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000491801985 388321675 /nfs/dbraw/zinc/32/16/75/388321675.db2.gz FCSABHZPSDJIRJ-UHFFFAOYSA-N 2 1 231.343 2.069 20 30 BEEDMP CC[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CC)C2)C1 ZINC000551386746 388628195 /nfs/dbraw/zinc/62/81/95/388628195.db2.gz BBWIECXFTLCYBJ-HZPDHXFCSA-N 2 1 248.414 2.454 20 30 BEEDMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000423227340 388689112 /nfs/dbraw/zinc/68/91/12/388689112.db2.gz VIVZJZVHYSJWHK-UWVGGRQHSA-N 2 1 235.306 2.085 20 30 BEEDMP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440116 388692990 /nfs/dbraw/zinc/69/29/90/388692990.db2.gz AOPNTEDAHAKXHK-GYSYKLTISA-N 2 1 231.343 2.335 20 30 BEEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271859916 389026223 /nfs/dbraw/zinc/02/62/23/389026223.db2.gz KCVOAJSVBTYPIY-QWHCGFSZSA-N 2 1 222.376 2.439 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271859920 389026746 /nfs/dbraw/zinc/02/67/46/389026746.db2.gz KCVOAJSVBTYPIY-STQMWFEESA-N 2 1 222.376 2.439 20 30 BEEDMP C=C(C)C[N@@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000120399125 533506233 /nfs/dbraw/zinc/50/62/33/533506233.db2.gz LGKUMSUHBHVPOS-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)CC[C@H]1CCC[N@@H+]1C ZINC000120399125 533506236 /nfs/dbraw/zinc/50/62/36/533506236.db2.gz LGKUMSUHBHVPOS-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)CC[C@H]1CCC[N@H+]1C ZINC000120399125 533506239 /nfs/dbraw/zinc/50/62/39/533506239.db2.gz LGKUMSUHBHVPOS-CYBMUJFWSA-N 2 1 210.365 2.369 20 30 BEEDMP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000335967936 134029065 /nfs/dbraw/zinc/02/90/65/134029065.db2.gz OPYUJLGSPUJDES-UONOGXRCSA-N 2 1 247.386 2.239 20 30 BEEDMP C[N@H+]1CCCC12CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000335967936 134029066 /nfs/dbraw/zinc/02/90/66/134029066.db2.gz OPYUJLGSPUJDES-UONOGXRCSA-N 2 1 247.386 2.239 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000373023696 134233278 /nfs/dbraw/zinc/23/32/78/134233278.db2.gz LXLBXTZUKIEZNJ-BARDWOONSA-N 2 1 247.386 2.285 20 30 BEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000248846765 135023235 /nfs/dbraw/zinc/02/32/35/135023235.db2.gz OIPMTZYNKUDGCL-MGPQQGTHSA-N 2 1 247.386 2.143 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000248846762 135023784 /nfs/dbraw/zinc/02/37/84/135023784.db2.gz OIPMTZYNKUDGCL-MCIONIFRSA-N 2 1 247.386 2.143 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339123992 135059451 /nfs/dbraw/zinc/05/94/51/135059451.db2.gz JJMDPNHFKWTGDY-BFHYXJOUSA-N 2 1 235.375 2.095 20 30 BEEDMP C=CC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000261531093 135151320 /nfs/dbraw/zinc/15/13/20/135151320.db2.gz FDSIJKJUHUKLOU-NEPJUHHUSA-N 2 1 208.349 2.025 20 30 BEEDMP C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000341891243 135244467 /nfs/dbraw/zinc/24/44/67/135244467.db2.gz CEFJLMXUDSNEEJ-SYMSYNOKSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000341891243 135244468 /nfs/dbraw/zinc/24/44/68/135244468.db2.gz CEFJLMXUDSNEEJ-SYMSYNOKSA-N 2 1 248.414 2.450 20 30 BEEDMP C[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C)[C@H]2C)[C@H]1C ZINC000341891243 135244470 /nfs/dbraw/zinc/24/44/70/135244470.db2.gz CEFJLMXUDSNEEJ-SYMSYNOKSA-N 2 1 248.414 2.450 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccs1 ZINC000295001210 135379227 /nfs/dbraw/zinc/37/92/27/135379227.db2.gz LZNKOKODWAUNGV-GFCCVEGCSA-N 2 1 236.384 2.354 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccs1 ZINC000295001210 135379229 /nfs/dbraw/zinc/37/92/29/135379229.db2.gz LZNKOKODWAUNGV-GFCCVEGCSA-N 2 1 236.384 2.354 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000334383096 135380492 /nfs/dbraw/zinc/38/04/92/135380492.db2.gz KSZGUIGKJZPUFJ-URGYJCLVSA-N 2 1 249.402 2.246 20 30 BEEDMP CC[NH+]1CCC([N@H+](C)[C@@H](C)CCCC#N)CC1 ZINC001172506797 974858594 /nfs/dbraw/zinc/85/85/94/974858594.db2.gz JNVFOAMKJRAHPH-ZDUSSCGKSA-N 2 1 237.391 2.485 20 30 BEEDMP CC[NH+]1CCC([N@@H+](C)[C@@H](C)CCCC#N)CC1 ZINC001172506797 974858598 /nfs/dbraw/zinc/85/85/98/974858598.db2.gz JNVFOAMKJRAHPH-ZDUSSCGKSA-N 2 1 237.391 2.485 20 30 BEEDMP C#CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000157171137 166192812 /nfs/dbraw/zinc/19/28/12/166192812.db2.gz BRFUXSUZMVTZNV-ZBFHGGJFSA-N 2 1 242.366 2.120 20 30 BEEDMP C#CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000157171137 166192813 /nfs/dbraw/zinc/19/28/13/166192813.db2.gz BRFUXSUZMVTZNV-ZBFHGGJFSA-N 2 1 242.366 2.120 20 30 BEEDMP C=CCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270686189 166232462 /nfs/dbraw/zinc/23/24/62/166232462.db2.gz VJUFRMMLJKOKIW-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=CCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000270686189 166232465 /nfs/dbraw/zinc/23/24/65/166232465.db2.gz VJUFRMMLJKOKIW-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275475081 166300105 /nfs/dbraw/zinc/30/01/05/166300105.db2.gz HXYVFEXCIHJCIS-STQMWFEESA-N 2 1 233.359 2.390 20 30 BEEDMP C=CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000665237824 410727181 /nfs/dbraw/zinc/72/71/81/410727181.db2.gz KTGRJXHHCVMUAN-TZMCWYRMSA-N 2 1 218.344 2.111 20 30 BEEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000157913936 411303174 /nfs/dbraw/zinc/30/31/74/411303174.db2.gz KLRAKKRTBDDAJW-QWHCGFSZSA-N 2 1 208.349 2.169 20 30 BEEDMP C=CC[C@@H]1CCC[N@H+](C[C@]2(C)CC[NH2+]C2)C1 ZINC000656787632 411366212 /nfs/dbraw/zinc/36/62/12/411366212.db2.gz PQJNDVBLQGXYHX-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000070593217 411336589 /nfs/dbraw/zinc/33/65/89/411336589.db2.gz YLTQSFSPJYPFCL-KGLIPLIRSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCSCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395090422 262764113 /nfs/dbraw/zinc/76/41/13/262764113.db2.gz UKRYXMVGAVRFLH-NEPJUHHUSA-N 2 1 228.405 2.026 20 30 BEEDMP CC(C)[N@@H+](C)CC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000535045453 323164451 /nfs/dbraw/zinc/16/44/51/323164451.db2.gz XNPCURAJLGKDPV-UHFFFAOYSA-N 2 1 249.402 2.342 20 30 BEEDMP C=C(C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860051 325318106 /nfs/dbraw/zinc/31/81/06/325318106.db2.gz FYOSNHACMWIYGM-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860051 325318108 /nfs/dbraw/zinc/31/81/08/325318108.db2.gz FYOSNHACMWIYGM-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860051 325318111 /nfs/dbraw/zinc/31/81/11/325318111.db2.gz FYOSNHACMWIYGM-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C[N@@H+](CCCCC#N)CC[C@H]1CCCC[NH+]1C ZINC000075861079 325318219 /nfs/dbraw/zinc/31/82/19/325318219.db2.gz WGVDCWWAGQWCAK-CQSZACIVSA-N 2 1 237.391 2.486 20 30 BEEDMP C[NH+](CCCCC#N)CC[C@H]1CCCC[N@@H+]1C ZINC000075861079 325318220 /nfs/dbraw/zinc/31/82/20/325318220.db2.gz WGVDCWWAGQWCAK-CQSZACIVSA-N 2 1 237.391 2.486 20 30 BEEDMP C[NH+](CCCCC#N)CC[C@H]1CCCC[N@H+]1C ZINC000075861079 325318222 /nfs/dbraw/zinc/31/82/22/325318222.db2.gz WGVDCWWAGQWCAK-CQSZACIVSA-N 2 1 237.391 2.486 20 30 BEEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000652190234 490167149 /nfs/dbraw/zinc/16/71/49/490167149.db2.gz GYIQMHPEYKGFQB-QWHCGFSZSA-N 2 1 233.359 2.297 20 30 BEEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCc2c[nH+]cn2C)C1 ZINC000652190233 490167600 /nfs/dbraw/zinc/16/76/00/490167600.db2.gz GYIQMHPEYKGFQB-OLZOCXBDSA-N 2 1 233.359 2.297 20 30 BEEDMP C=C(CC)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000358506939 534371462 /nfs/dbraw/zinc/37/14/62/534371462.db2.gz JOUUKABDPPHVHB-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000358506939 534371470 /nfs/dbraw/zinc/37/14/70/534371470.db2.gz JOUUKABDPPHVHB-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(CC)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000358506939 534371476 /nfs/dbraw/zinc/37/14/76/534371476.db2.gz JOUUKABDPPHVHB-CYBMUJFWSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309028873 534694209 /nfs/dbraw/zinc/69/42/09/534694209.db2.gz AAPZGGRKUCUXJE-QWHCGFSZSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000374180134 534720117 /nfs/dbraw/zinc/72/01/17/534720117.db2.gz ADEKWVVLNQOTSO-CQSZACIVSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000366231423 534720270 /nfs/dbraw/zinc/72/02/70/534720270.db2.gz NKNDOZNCNHRWTE-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366231423 534720274 /nfs/dbraw/zinc/72/02/74/534720274.db2.gz NKNDOZNCNHRWTE-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366231423 534720278 /nfs/dbraw/zinc/72/02/78/534720278.db2.gz NKNDOZNCNHRWTE-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339156835 536346961 /nfs/dbraw/zinc/34/69/61/536346961.db2.gz VYRMYNZLTQEHAA-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339156835 536346964 /nfs/dbraw/zinc/34/69/64/536346964.db2.gz VYRMYNZLTQEHAA-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000227353403 536356700 /nfs/dbraw/zinc/35/67/00/536356700.db2.gz DMMHBIXHXJSDJL-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C)(C#N)CC1 ZINC000227353403 536356704 /nfs/dbraw/zinc/35/67/04/536356704.db2.gz DMMHBIXHXJSDJL-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339441111 536395648 /nfs/dbraw/zinc/39/56/48/536395648.db2.gz OAVODYIDHHRCDM-ZNMIVQPWSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339441111 536395651 /nfs/dbraw/zinc/39/56/51/536395651.db2.gz OAVODYIDHHRCDM-ZNMIVQPWSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)C1 ZINC000339441111 536395653 /nfs/dbraw/zinc/39/56/53/536395653.db2.gz OAVODYIDHHRCDM-ZNMIVQPWSA-N 2 1 247.386 2.096 20 30 BEEDMP CC1([NH+]2CCC2)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880473237 583541734 /nfs/dbraw/zinc/54/17/34/583541734.db2.gz ACWNSESRGAXQQL-KGLIPLIRSA-N 2 1 247.386 2.239 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903000815 584715337 /nfs/dbraw/zinc/71/53/37/584715337.db2.gz MUFSUZCPIGAZHH-QDMKHBRRSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903000815 584715338 /nfs/dbraw/zinc/71/53/38/584715338.db2.gz MUFSUZCPIGAZHH-QDMKHBRRSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903000816 584715412 /nfs/dbraw/zinc/71/54/12/584715412.db2.gz MUFSUZCPIGAZHH-ZIAGYGMSSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903000816 584715414 /nfs/dbraw/zinc/71/54/14/584715414.db2.gz MUFSUZCPIGAZHH-ZIAGYGMSSA-N 2 1 234.387 2.110 20 30 BEEDMP CC[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@H]1[NH3+] ZINC000903450177 584772186 /nfs/dbraw/zinc/77/21/86/584772186.db2.gz OOKIZFIKQKTMEM-PFSRBDOWSA-N 2 1 249.402 2.376 20 30 BEEDMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455160 584774016 /nfs/dbraw/zinc/77/40/16/584774016.db2.gz RWVWQVOEBBHTTM-WMUDQEJXSA-N 2 1 249.402 2.292 20 30 BEEDMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455157 584774074 /nfs/dbraw/zinc/77/40/74/584774074.db2.gz RWVWQVOEBBHTTM-ANLGBYQQSA-N 2 1 249.402 2.292 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000903476199 584777453 /nfs/dbraw/zinc/77/74/53/584777453.db2.gz QDWPZDUMQGPMGF-NEXFUWMNSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000903476199 584777454 /nfs/dbraw/zinc/77/74/54/584777454.db2.gz QDWPZDUMQGPMGF-NEXFUWMNSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1(CCCC[N@@H+]2CC[C@H](C[NH3+])C2)CCC1 ZINC000903716221 584794231 /nfs/dbraw/zinc/79/42/31/584794231.db2.gz JUAAJUGSZRFFMK-CYBMUJFWSA-N 2 1 235.375 2.131 20 30 BEEDMP C=CC[N@@H+](Cc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303817 584862066 /nfs/dbraw/zinc/86/20/66/584862066.db2.gz IECSXFZYJBXWSO-TXEJJXNPSA-N 2 1 236.384 2.473 20 30 BEEDMP C#CCCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000766895192 585509241 /nfs/dbraw/zinc/50/92/41/585509241.db2.gz JWGGLQFPRDRYPX-UHFFFAOYSA-N 2 1 236.403 2.452 20 30 BEEDMP C#CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000766927672 585511731 /nfs/dbraw/zinc/51/17/31/585511731.db2.gz XHIIQEBKFPDCLV-GDBMZVCRSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000766927672 585511732 /nfs/dbraw/zinc/51/17/32/585511732.db2.gz XHIIQEBKFPDCLV-GDBMZVCRSA-N 2 1 246.398 2.349 20 30 BEEDMP C#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000766927672 585511733 /nfs/dbraw/zinc/51/17/33/585511733.db2.gz XHIIQEBKFPDCLV-GDBMZVCRSA-N 2 1 246.398 2.349 20 30 BEEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000767347576 585516889 /nfs/dbraw/zinc/51/68/89/585516889.db2.gz BAARABQXQWUDNE-ZDUSSCGKSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000767347576 585516890 /nfs/dbraw/zinc/51/68/90/585516890.db2.gz BAARABQXQWUDNE-ZDUSSCGKSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CC[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000767347576 585516891 /nfs/dbraw/zinc/51/68/91/585516891.db2.gz BAARABQXQWUDNE-ZDUSSCGKSA-N 2 1 210.365 2.367 20 30 BEEDMP C#C[C@@H](C)[NH+](C)CCCCCC[N@H+](C)[C@@H](C)C#C ZINC000769961092 585567555 /nfs/dbraw/zinc/56/75/55/585567555.db2.gz ISXDIJNSEARJHI-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP C#C[C@@H](C)[N@@H+](C)CCCCCC[NH+](C)[C@@H](C)C#C ZINC000769961092 585567556 /nfs/dbraw/zinc/56/75/56/585567556.db2.gz ISXDIJNSEARJHI-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP C#C[C@@H](C)[N@H+](C)CCCCCC[NH+](C)[C@@H](C)C#C ZINC000769961092 585567557 /nfs/dbraw/zinc/56/75/57/585567557.db2.gz ISXDIJNSEARJHI-IYBDPMFKSA-N 2 1 248.414 2.454 20 30 BEEDMP C#Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000809729439 586515374 /nfs/dbraw/zinc/51/53/74/586515374.db2.gz IRBDNDPMPCEIEC-UHFFFAOYSA-N 2 1 230.355 2.051 20 30 BEEDMP C#Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000809729439 586515375 /nfs/dbraw/zinc/51/53/75/586515375.db2.gz IRBDNDPMPCEIEC-UHFFFAOYSA-N 2 1 230.355 2.051 20 30 BEEDMP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000834903763 587770122 /nfs/dbraw/zinc/77/01/22/587770122.db2.gz REWFVTVDOCYIKQ-CZUORRHYSA-N 2 1 242.366 2.240 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000872139166 589880411 /nfs/dbraw/zinc/88/04/11/589880411.db2.gz HCZSYVSAPGGWGC-HDJSIYSDSA-N 2 1 246.398 2.395 20 30 BEEDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C#N)o1 ZINC000872157512 589886170 /nfs/dbraw/zinc/88/61/70/589886170.db2.gz PARNVTZBXVSDLW-UHFFFAOYSA-N 2 1 235.331 2.102 20 30 BEEDMP Cc1ccnc(N)c1C=[NH+]OC1CCCC1 ZINC000872362056 589919170 /nfs/dbraw/zinc/91/91/70/589919170.db2.gz BXVQVDDQYRBOMY-UHFFFAOYSA-N 2 1 219.288 2.265 20 30 BEEDMP CC1(C)CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[NH2+]C1 ZINC000873237579 590004153 /nfs/dbraw/zinc/00/41/53/590004153.db2.gz RCWDCVMFZAXEGB-BFHYXJOUSA-N 2 1 249.402 2.437 20 30 BEEDMP C#CCCCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000876730832 590234659 /nfs/dbraw/zinc/23/46/59/590234659.db2.gz LXVOMWIBAAZELH-HNNXBMFYSA-N 2 1 236.403 2.454 20 30 BEEDMP C#C[C@@H](C)N(C)Cc1c(C)cc(C)nc1C ZINC000878517408 590585517 /nfs/dbraw/zinc/58/55/17/590585517.db2.gz RNRBYLTWYJLONM-GFCCVEGCSA-N 2 1 216.328 2.460 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473590 591054227 /nfs/dbraw/zinc/05/42/27/591054227.db2.gz JRQDYFUHANVAKT-CYBMUJFWSA-N 2 1 235.375 2.239 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000883430112 591661694 /nfs/dbraw/zinc/66/16/94/591661694.db2.gz NHRNDGWBMAPESP-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP C=CC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886665771 592295894 /nfs/dbraw/zinc/29/58/94/592295894.db2.gz GJPPUCDFVHSISF-UHFFFAOYSA-N 2 1 219.332 2.392 20 30 BEEDMP C=CCCCCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925703033 634379637 /nfs/dbraw/zinc/37/96/37/634379637.db2.gz SBAIMAVGMFIQLS-QWHCGFSZSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CCCCCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925703032 634380137 /nfs/dbraw/zinc/38/01/37/634380137.db2.gz SBAIMAVGMFIQLS-OLZOCXBDSA-N 2 1 210.365 2.463 20 30 BEEDMP C#CCC1([NH2+]CC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000933303971 631217913 /nfs/dbraw/zinc/21/79/13/631217913.db2.gz VNNFHCSOMBDVTM-CQSZACIVSA-N 2 1 234.387 2.396 20 30 BEEDMP C#C[C@H]1CCCC[N@@H+]1CCCn1ccnc1C ZINC000934515087 631897069 /nfs/dbraw/zinc/89/70/69/631897069.db2.gz PAIURYACHPFFKD-AWEZNQCLSA-N 2 1 231.343 2.069 20 30 BEEDMP C#C[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000934515087 631897076 /nfs/dbraw/zinc/89/70/76/631897076.db2.gz PAIURYACHPFFKD-AWEZNQCLSA-N 2 1 231.343 2.069 20 30 BEEDMP C#C[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000934515087 631897080 /nfs/dbraw/zinc/89/70/80/631897080.db2.gz PAIURYACHPFFKD-AWEZNQCLSA-N 2 1 231.343 2.069 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000328099823 633237177 /nfs/dbraw/zinc/23/71/77/633237177.db2.gz KUGMIBRLYFOEGL-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000328099823 633237182 /nfs/dbraw/zinc/23/71/82/633237182.db2.gz KUGMIBRLYFOEGL-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000925814996 635381679 /nfs/dbraw/zinc/38/16/79/635381679.db2.gz RTDXZPATVDGBQJ-NWDGAFQWSA-N 2 1 246.358 2.116 20 30 BEEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000925814995 635382257 /nfs/dbraw/zinc/38/22/57/635382257.db2.gz RTDXZPATVDGBQJ-NEPJUHHUSA-N 2 1 246.358 2.116 20 30 BEEDMP C[N@H+]1C[C@@H]2C[NH+](CC(C)(C)CCC#N)C[C@]2(C)C1 ZINC000897621591 636825434 /nfs/dbraw/zinc/82/54/34/636825434.db2.gz JRVCBJOERHTAMK-HIFRSBDPSA-N 2 1 249.402 2.200 20 30 BEEDMP C[NH+]1C[C@@H]2C[N@H+](CC(C)(C)CCC#N)C[C@]2(C)C1 ZINC000897621591 636825436 /nfs/dbraw/zinc/82/54/36/636825436.db2.gz JRVCBJOERHTAMK-HIFRSBDPSA-N 2 1 249.402 2.200 20 30 BEEDMP C[NH+]1C[C@@H]2C[N@@H+](CC(C)(C)CCC#N)C[C@]2(C)C1 ZINC000897621591 636825438 /nfs/dbraw/zinc/82/54/38/636825438.db2.gz JRVCBJOERHTAMK-HIFRSBDPSA-N 2 1 249.402 2.200 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311400 640147358 /nfs/dbraw/zinc/14/73/58/640147358.db2.gz MWCRBLRGFPGSIH-SOUVJXGZSA-N 2 1 234.387 2.062 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311400 640147365 /nfs/dbraw/zinc/14/73/65/640147365.db2.gz MWCRBLRGFPGSIH-SOUVJXGZSA-N 2 1 234.387 2.062 20 30 BEEDMP C#CCC1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC000933299106 640696327 /nfs/dbraw/zinc/69/63/27/640696327.db2.gz NJPYRWQZTAORFG-ZDUSSCGKSA-N 2 1 220.360 2.006 20 30 BEEDMP C#CCC1([NH2+]CCCn2cc[nH+]c2C)CCC1 ZINC000933299266 640701771 /nfs/dbraw/zinc/70/17/71/640701771.db2.gz QASJHFBQMURQHW-UHFFFAOYSA-N 2 1 231.343 2.117 20 30 BEEDMP C=CC[NH+](CC=C)C[C@]1(C)CCC[NH2+]C1 ZINC000062861585 641101551 /nfs/dbraw/zinc/10/15/51/641101551.db2.gz PCRREZJXZWYNPQ-CYBMUJFWSA-N 2 1 208.349 2.050 20 30 BEEDMP C#C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000934515165 641180273 /nfs/dbraw/zinc/18/02/73/641180273.db2.gz QRRXZGNFWXGGPQ-HNNXBMFYSA-N 2 1 234.387 2.350 20 30 BEEDMP C#C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000934515165 641180278 /nfs/dbraw/zinc/18/02/78/641180278.db2.gz QRRXZGNFWXGGPQ-HNNXBMFYSA-N 2 1 234.387 2.350 20 30 BEEDMP C=CCCC[N@@H+](CC)CCn1cc[nH+]c1C ZINC000934644776 641229522 /nfs/dbraw/zinc/22/95/22/641229522.db2.gz IAPKGESIGFVDDM-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=CCCC[N@H+](CC)CCn1cc[nH+]c1C ZINC000934644776 641229530 /nfs/dbraw/zinc/22/95/30/641229530.db2.gz IAPKGESIGFVDDM-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP Cc1cc(C#N)cc(C)c1C[NH2+]CCC[NH+](C)C ZINC000921474037 642633699 /nfs/dbraw/zinc/63/36/99/642633699.db2.gz KOJPGOYMQJJUPU-UHFFFAOYSA-N 2 1 245.370 2.216 20 30 BEEDMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921544409 643595218 /nfs/dbraw/zinc/59/52/18/643595218.db2.gz BCNURFBWLXRSCL-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921544409 643595226 /nfs/dbraw/zinc/59/52/26/643595226.db2.gz BCNURFBWLXRSCL-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C#CC[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000829804930 645110266 /nfs/dbraw/zinc/11/02/66/645110266.db2.gz NNDSIHXRDPGPNJ-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000829804930 645110272 /nfs/dbraw/zinc/11/02/72/645110272.db2.gz NNDSIHXRDPGPNJ-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000829804930 645110282 /nfs/dbraw/zinc/11/02/82/645110282.db2.gz NNDSIHXRDPGPNJ-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000829804568 645112221 /nfs/dbraw/zinc/11/22/21/645112221.db2.gz JDWYXRUWZIZPFY-OAHLLOKOSA-N 2 1 245.370 2.317 20 30 BEEDMP C#CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000829804568 645112224 /nfs/dbraw/zinc/11/22/24/645112224.db2.gz JDWYXRUWZIZPFY-OAHLLOKOSA-N 2 1 245.370 2.317 20 30 BEEDMP C#CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000830316353 645118369 /nfs/dbraw/zinc/11/83/69/645118369.db2.gz OPLPMNQNHTWRTE-OAHLLOKOSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CCSCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925590531 646349606 /nfs/dbraw/zinc/34/96/06/646349606.db2.gz JEQOAIAUJNWTRX-GFCCVEGCSA-N 2 1 240.416 2.170 20 30 BEEDMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607461 646356703 /nfs/dbraw/zinc/35/67/03/646356703.db2.gz BNJLAUHLRNAUNO-TZMCWYRMSA-N 2 1 231.343 2.358 20 30 BEEDMP C[C@H]([NH3+])[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607459 646356765 /nfs/dbraw/zinc/35/67/65/646356765.db2.gz BNJLAUHLRNAUNO-JSGCOSHPSA-N 2 1 231.343 2.358 20 30 BEEDMP C[C@H]([NH3+])[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607458 646357927 /nfs/dbraw/zinc/35/79/27/646357927.db2.gz BNJLAUHLRNAUNO-GXTWGEPZSA-N 2 1 231.343 2.358 20 30 BEEDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000709991026 712238056 /nfs/dbraw/zinc/23/80/56/712238056.db2.gz PVGFKCSSNZHDNM-LLVKDONJSA-N 2 1 234.347 2.110 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000715058353 712505111 /nfs/dbraw/zinc/50/51/11/712505111.db2.gz OTSHIXCBGUXIHU-BFHYXJOUSA-N 2 1 222.376 2.415 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C(CCC)CCC ZINC000382025040 710767323 /nfs/dbraw/zinc/76/73/23/710767323.db2.gz RPWWAZQWJKCHCS-UHFFFAOYSA-N 2 1 224.392 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C(CCC)CCC ZINC000382025040 710767327 /nfs/dbraw/zinc/76/73/27/710767327.db2.gz RPWWAZQWJKCHCS-UHFFFAOYSA-N 2 1 224.392 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000383093007 710966415 /nfs/dbraw/zinc/96/64/15/710966415.db2.gz XSLBELXIXVQKQX-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000383093007 710966416 /nfs/dbraw/zinc/96/64/16/710966416.db2.gz XSLBELXIXVQKQX-RBSFLKMASA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000383060838 710975886 /nfs/dbraw/zinc/97/58/86/710975886.db2.gz NHYYMYZXEVFUFT-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000383060838 710975887 /nfs/dbraw/zinc/97/58/87/710975887.db2.gz NHYYMYZXEVFUFT-SOUVJXGZSA-N 2 1 236.403 2.356 20 30 BEEDMP C=C(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000387309874 711042634 /nfs/dbraw/zinc/04/26/34/711042634.db2.gz BISPDCRAQAVZMR-YHWZYXNKSA-N 2 1 208.349 2.167 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000397786533 711391494 /nfs/dbraw/zinc/39/14/94/711391494.db2.gz YJLPEPCBZQPZON-KGLIPLIRSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000397786533 711391501 /nfs/dbraw/zinc/39/15/01/711391501.db2.gz YJLPEPCBZQPZON-KGLIPLIRSA-N 2 1 236.403 2.356 20 30 BEEDMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1C#N ZINC000701816615 712030017 /nfs/dbraw/zinc/03/00/17/712030017.db2.gz IGGCTGLBTQZTAF-CQSZACIVSA-N 2 1 243.354 2.037 20 30 BEEDMP C=CC[C@H]1CC[N@H+](CCCCCC[NH3+])C1 ZINC000703701811 712084381 /nfs/dbraw/zinc/08/43/81/712084381.db2.gz SELMCYMJBWSCPM-ZDUSSCGKSA-N 2 1 210.365 2.404 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000383015428 712366969 /nfs/dbraw/zinc/36/69/69/712366969.db2.gz CCULCHZDTSTCSF-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000383015428 712366971 /nfs/dbraw/zinc/36/69/71/712366971.db2.gz CCULCHZDTSTCSF-RRFJBIMHSA-N 2 1 236.403 2.356 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000714999378 712503360 /nfs/dbraw/zinc/50/33/60/712503360.db2.gz AGSJIVJKORGWIN-LPEHRKFASA-N 2 1 236.281 2.020 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874245 712873388 /nfs/dbraw/zinc/87/33/88/712873388.db2.gz XFIBJZOLSGUGHL-NXEZZACHSA-N 2 1 236.281 2.022 20 30 BEEDMP C=CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169107809 969443759 /nfs/dbraw/zinc/44/37/59/969443759.db2.gz KNFVSGBJJCIMNO-XYYAHUGASA-N 2 1 208.349 2.167 20 30 BEEDMP C=CC[N@H+](C)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014216 977841584 /nfs/dbraw/zinc/84/15/84/977841584.db2.gz LBEGTQDRNWPDGR-UHFFFAOYSA-N 2 1 201.273 2.181 20 30 BEEDMP CCC#C[C@H](C)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC001191173920 980990798 /nfs/dbraw/zinc/99/07/98/980990798.db2.gz KQQHZZZLDFTCKQ-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP C[C@H](CCCC#N)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC001172484275 974785380 /nfs/dbraw/zinc/78/53/80/974785380.db2.gz ZVAHUPGZMQKEHQ-CHWSQXEVSA-N 2 1 223.364 2.143 20 30 BEEDMP C=CC[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC001256860589 970997475 /nfs/dbraw/zinc/99/74/75/970997475.db2.gz AKBZQHJLGWKFQH-UHFFFAOYSA-N 2 1 231.343 2.168 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+]C(C)(C)C[NH3+])C[C@H](C1)C2 ZINC001257887275 971520566 /nfs/dbraw/zinc/52/05/66/971520566.db2.gz ZTTDCADSPMRRNA-FUNVUKJBSA-N 2 1 222.376 2.448 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156782 974327979 /nfs/dbraw/zinc/32/79/79/974327979.db2.gz SSXLJIRXSUQOCC-NWDGAFQWSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156782 974327987 /nfs/dbraw/zinc/32/79/87/974327987.db2.gz SSXLJIRXSUQOCC-NWDGAFQWSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156782 974328001 /nfs/dbraw/zinc/32/80/01/974328001.db2.gz SSXLJIRXSUQOCC-NWDGAFQWSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCC[NH+]1CCC([N@H+](C)CC)CC1 ZINC001209163364 957337721 /nfs/dbraw/zinc/33/77/21/957337721.db2.gz DARJSEUUQJYRQM-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP N#Cc1ccc(C[N@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC001206632650 962139710 /nfs/dbraw/zinc/13/97/10/962139710.db2.gz MZSVWFZCOXFHOH-LLVKDONJSA-N 2 1 249.383 2.181 20 30 BEEDMP N#Cc1ccc(C[N@@H+]2CCCC[C@H](C[NH3+])C2)s1 ZINC001206632650 962139721 /nfs/dbraw/zinc/13/97/21/962139721.db2.gz MZSVWFZCOXFHOH-LLVKDONJSA-N 2 1 249.383 2.181 20 30 BEEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc(N)c(C)c[nH+]1 ZINC001160953524 964457072 /nfs/dbraw/zinc/45/70/72/964457072.db2.gz DBPOLGJKCBWFDN-LBPRGKRZSA-N 2 1 246.358 2.035 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001168328757 964459082 /nfs/dbraw/zinc/45/90/82/964459082.db2.gz CFGSHUHXJLKNAR-JXQTWKCFSA-N 2 1 235.375 2.095 20 30 BEEDMP C#Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218145 966312902 /nfs/dbraw/zinc/31/29/02/966312902.db2.gz REZOMOANPHPTAT-JKSUJKDBSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218145 966312911 /nfs/dbraw/zinc/31/29/11/966312911.db2.gz REZOMOANPHPTAT-JKSUJKDBSA-N 2 1 242.366 2.370 20 30 BEEDMP C[NH+]1CCC(C[N@@H+](CCC#N)C2CCCC2)CC1 ZINC001207398256 968742143 /nfs/dbraw/zinc/74/21/43/968742143.db2.gz CSYZIEFAGWQMAU-UHFFFAOYSA-N 2 1 249.402 2.486 20 30 BEEDMP CCCC[N@@H+](CCC#N)CC1CC[NH+](C)CC1 ZINC001207398362 968751041 /nfs/dbraw/zinc/75/10/41/968751041.db2.gz KAQPJUSQQRFIIX-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP C[NH+]1CCC(CC[N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001207487197 968800072 /nfs/dbraw/zinc/80/00/72/968800072.db2.gz SDVUXZGUAWTENQ-HNNXBMFYSA-N 2 1 249.402 2.344 20 30 BEEDMP C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000829179992 968821212 /nfs/dbraw/zinc/82/12/12/968821212.db2.gz QPBDPGNRTLZUDD-CHWSQXEVSA-N 2 1 249.402 2.389 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](CC2(C[NH+](C)C)CCCC2)C1 ZINC001208185845 969117912 /nfs/dbraw/zinc/11/79/12/969117912.db2.gz IZYRSJBTPBTGAG-OAHLLOKOSA-N 2 1 248.414 2.454 20 30 BEEDMP CC[NH+]1CCC(C[N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001208597747 969151932 /nfs/dbraw/zinc/15/19/32/969151932.db2.gz MVOZHOHTAXAQGJ-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP C#CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169115560 969450886 /nfs/dbraw/zinc/45/08/86/969450886.db2.gz KUHSEBYVQGDJQP-BTTYYORXSA-N 2 1 220.360 2.005 20 30 BEEDMP C=CCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209428236 969496968 /nfs/dbraw/zinc/49/69/68/969496968.db2.gz CRCZRSHKGIQXDU-UHFFFAOYSA-N 2 1 233.359 2.488 20 30 BEEDMP C=CCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209428236 969496976 /nfs/dbraw/zinc/49/69/76/969496976.db2.gz CRCZRSHKGIQXDU-UHFFFAOYSA-N 2 1 233.359 2.488 20 30 BEEDMP CC[NH+]1CCC([N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001169263771 969521042 /nfs/dbraw/zinc/52/10/42/969521042.db2.gz AXYAADLYAFLBNC-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP CC[NH+]1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001169263771 969521043 /nfs/dbraw/zinc/52/10/43/969521043.db2.gz AXYAADLYAFLBNC-ZDUSSCGKSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@@H+]1CCC[C@H]([NH2+]Cc2csc(C#N)c2)CC1 ZINC001254509981 969681789 /nfs/dbraw/zinc/68/17/89/969681789.db2.gz KYIIHGNQSQSMPE-LBPRGKRZSA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]Cc2csc(C#N)c2)CC1 ZINC001254509981 969681800 /nfs/dbraw/zinc/68/18/00/969681800.db2.gz KYIIHGNQSQSMPE-LBPRGKRZSA-N 2 1 249.383 2.194 20 30 BEEDMP CCC[N@@H+](CCC[NH+](C)C)[C@H]1CC[C@@H](C#N)C1 ZINC001254675028 969778899 /nfs/dbraw/zinc/77/88/99/969778899.db2.gz DIUQCFBFVAUUEN-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254675029 969781332 /nfs/dbraw/zinc/78/13/32/969781332.db2.gz DIUQCFBFVAUUEN-UONOGXRCSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[C@@H](CC#N)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001255176282 969994120 /nfs/dbraw/zinc/99/41/20/969994120.db2.gz ZDNNTJNJVXMBFQ-LBPRGKRZSA-N 2 1 232.331 2.215 20 30 BEEDMP Cc1ccc(C(=[NH2+])N[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC001255479472 970208823 /nfs/dbraw/zinc/20/88/23/970208823.db2.gz ILHPXIMHOJGSQC-CQSZACIVSA-N 2 1 245.370 2.103 20 30 BEEDMP Cc1ccc(C(=[NH2+])N[C@@H]2CCC[N@H+](C)C2)cc1C ZINC001255479472 970208832 /nfs/dbraw/zinc/20/88/32/970208832.db2.gz ILHPXIMHOJGSQC-CQSZACIVSA-N 2 1 245.370 2.103 20 30 BEEDMP Cc1ccc(C(=[NH2+])N[C@H]2CCC[N@@H+](C)C2)cc1C ZINC001255479471 970210114 /nfs/dbraw/zinc/21/01/14/970210114.db2.gz ILHPXIMHOJGSQC-AWEZNQCLSA-N 2 1 245.370 2.103 20 30 BEEDMP Cc1ccc(C(=[NH2+])N[C@H]2CCC[N@H+](C)C2)cc1C ZINC001255479471 970210123 /nfs/dbraw/zinc/21/01/23/970210123.db2.gz ILHPXIMHOJGSQC-AWEZNQCLSA-N 2 1 245.370 2.103 20 30 BEEDMP N#C[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256078656 970649915 /nfs/dbraw/zinc/64/99/15/970649915.db2.gz CJPDZUUMEBGUFZ-CYBMUJFWSA-N 2 1 247.386 2.239 20 30 BEEDMP N#C[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)CC1 ZINC001256078656 970649920 /nfs/dbraw/zinc/64/99/20/970649920.db2.gz CJPDZUUMEBGUFZ-CYBMUJFWSA-N 2 1 247.386 2.239 20 30 BEEDMP C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C[C@@H](C)C[NH3+] ZINC001171191804 972838529 /nfs/dbraw/zinc/83/85/29/972838529.db2.gz FQJLWINTDZJHNL-QWHCGFSZSA-N 2 1 245.370 2.016 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589638 972992431 /nfs/dbraw/zinc/99/24/31/972992431.db2.gz SYAFKILCHHESGQ-SRVKXCTJSA-N 2 1 214.328 2.102 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001246589638 972992414 /nfs/dbraw/zinc/99/24/14/972992414.db2.gz SYAFKILCHHESGQ-SRVKXCTJSA-N 2 1 214.328 2.102 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246605915 973023603 /nfs/dbraw/zinc/02/36/03/973023603.db2.gz CYYPFMILZMEVAQ-ZIAGYGMSSA-N 2 1 235.375 2.287 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[NH2+]C[C@H]43)C[C@H](C1)C2 ZINC001246915581 973458803 /nfs/dbraw/zinc/45/88/03/973458803.db2.gz GRXFGYWXEQLBJP-VVYWCFLBSA-N 2 1 232.371 2.025 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[NH2+]C[C@H]43)C[C@H](C1)C2 ZINC001246915581 973458812 /nfs/dbraw/zinc/45/88/12/973458812.db2.gz GRXFGYWXEQLBJP-VVYWCFLBSA-N 2 1 232.371 2.025 20 30 BEEDMP N#CC1CCC([N@@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014511 973796765 /nfs/dbraw/zinc/79/67/65/973796765.db2.gz KOEDXWNMEMKBOD-JYVUQVBGSA-N 2 1 247.386 2.143 20 30 BEEDMP N#CC1CCC([N@H+]2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014511 973796771 /nfs/dbraw/zinc/79/67/71/973796771.db2.gz KOEDXWNMEMKBOD-JYVUQVBGSA-N 2 1 247.386 2.143 20 30 BEEDMP C#CC[N@@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639980 974133310 /nfs/dbraw/zinc/13/33/10/974133310.db2.gz XLOCZCUFIVWBLB-UHFFFAOYSA-N 2 1 222.376 2.203 20 30 BEEDMP C#CC[N@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639980 974133315 /nfs/dbraw/zinc/13/33/15/974133315.db2.gz XLOCZCUFIVWBLB-UHFFFAOYSA-N 2 1 222.376 2.203 20 30 BEEDMP C=CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126660 974350410 /nfs/dbraw/zinc/35/04/10/974350410.db2.gz XUJDUUKJIGZFPM-ITGUQSILSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172126660 974350421 /nfs/dbraw/zinc/35/04/21/974350421.db2.gz XUJDUUKJIGZFPM-ITGUQSILSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172126660 974350435 /nfs/dbraw/zinc/35/04/35/974350435.db2.gz XUJDUUKJIGZFPM-ITGUQSILSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CC[NH+](C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172126660 974350446 /nfs/dbraw/zinc/35/04/46/974350446.db2.gz XUJDUUKJIGZFPM-ITGUQSILSA-N 2 1 208.349 2.120 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@H]1CCCC[C@H]1[NH+](C)C ZINC001330608007 974354898 /nfs/dbraw/zinc/35/48/98/974354898.db2.gz LLFFPMQRBSDESM-HZSPNIEDSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172107552 974366047 /nfs/dbraw/zinc/36/60/47/974366047.db2.gz ZOWWVOHIGWJTBK-XYYAHUGASA-N 2 1 208.349 2.167 20 30 BEEDMP C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172300780 974513301 /nfs/dbraw/zinc/51/33/01/974513301.db2.gz ZGYQYIQEWIORBM-CHWSQXEVSA-N 2 1 245.370 2.016 20 30 BEEDMP C[C@H](CCCC#N)[NH2+][C@H]1CCC[N@@H+](C)CC1 ZINC001172479776 974780309 /nfs/dbraw/zinc/78/03/09/974780309.db2.gz ONCSHZBCFOXOMN-OLZOCXBDSA-N 2 1 223.364 2.143 20 30 BEEDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332712 975282399 /nfs/dbraw/zinc/28/23/99/975282399.db2.gz SCYVARUSDCUVQI-VXGQWTEUSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332712 975282406 /nfs/dbraw/zinc/28/24/06/975282406.db2.gz SCYVARUSDCUVQI-VXGQWTEUSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@@H](CCC#N)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001336721776 977882587 /nfs/dbraw/zinc/88/25/87/977882587.db2.gz PCJNEJWSVIIOIX-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978041 978938848 /nfs/dbraw/zinc/93/88/48/978938848.db2.gz FUMWASKYDRSYBI-OKILXGFUSA-N 2 1 222.376 2.274 20 30 BEEDMP C[N@H+]1CCC[C@@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001277948592 979053135 /nfs/dbraw/zinc/05/31/35/979053135.db2.gz LFXWGWYRESSWDB-OAHLLOKOSA-N 2 1 249.402 2.488 20 30 BEEDMP C[NH+]1CCC[C@@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001277948592 979053141 /nfs/dbraw/zinc/05/31/41/979053141.db2.gz LFXWGWYRESSWDB-OAHLLOKOSA-N 2 1 249.402 2.488 20 30 BEEDMP C[NH+]1CCC[C@@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277948592 979053148 /nfs/dbraw/zinc/05/31/48/979053148.db2.gz LFXWGWYRESSWDB-OAHLLOKOSA-N 2 1 249.402 2.488 20 30 BEEDMP C[N@H+]1CCC2(C1)CC[NH+](CCCCC#N)CC2 ZINC001277948912 979055947 /nfs/dbraw/zinc/05/59/47/979055947.db2.gz PGOAXBBPMUEHDV-UHFFFAOYSA-N 2 1 235.375 2.098 20 30 BEEDMP C=CCCCCCC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412721 979586557 /nfs/dbraw/zinc/58/65/57/979586557.db2.gz LILYVMYJROFSTQ-WDNDVIMCSA-N 2 1 222.376 2.273 20 30 BEEDMP CCC#C[C@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001191173920 980990784 /nfs/dbraw/zinc/99/07/84/980990784.db2.gz KQQHZZZLDFTCKQ-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@H](C)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001191173920 980990789 /nfs/dbraw/zinc/99/07/89/980990789.db2.gz KQQHZZZLDFTCKQ-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP CCC#C[C@H](C)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC001191173920 980990795 /nfs/dbraw/zinc/99/07/95/980990795.db2.gz KQQHZZZLDFTCKQ-KBPBESRZSA-N 2 1 222.376 2.062 20 30 BEEDMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001257218640 984853380 /nfs/dbraw/zinc/85/33/80/984853380.db2.gz VHIGJSFAZWSXTF-AWEZNQCLSA-N 2 1 249.402 2.485 20 30 BEEDMP CC(C)[NH+]1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001257218640 984853382 /nfs/dbraw/zinc/85/33/82/984853382.db2.gz VHIGJSFAZWSXTF-AWEZNQCLSA-N 2 1 249.402 2.485 20 30 BEEDMP C#CCCCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000686675321 985197388 /nfs/dbraw/zinc/19/73/88/985197388.db2.gz OTPNMCJGKFKVDJ-HOTGVXAUSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CC1CCCC1 ZINC000689806518 985305698 /nfs/dbraw/zinc/30/56/98/985305698.db2.gz JELMQEDPFBKRSA-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CC1CCCC1 ZINC000689806518 985305709 /nfs/dbraw/zinc/30/57/09/985305709.db2.gz JELMQEDPFBKRSA-AWEZNQCLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CCCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001462664345 986494821 /nfs/dbraw/zinc/49/48/21/986494821.db2.gz GVMPFMGKCVFDMR-BZUAXINKSA-N 2 1 248.414 2.500 20 30 BEEDMP CC[C@H](CC#N)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC001255153576 986827466 /nfs/dbraw/zinc/82/74/66/986827466.db2.gz ZCSXKNUMCPJOEQ-CHWSQXEVSA-N 2 1 223.364 2.000 20 30 BEEDMP CCCCCCCC[C@@H](O)C[NH2+][C@H](CC)C[NH3+] ZINC001246000613 987288254 /nfs/dbraw/zinc/28/82/54/987288254.db2.gz LPCGXAMDBLQODF-ZIAGYGMSSA-N 2 1 244.423 2.425 20 30 BEEDMP C=CC[N@@H+](CCC#N)CC1CC[NH+](CC)CC1 ZINC001474544871 987754796 /nfs/dbraw/zinc/75/47/96/987754796.db2.gz VYFGJIOJXIZTBY-UHFFFAOYSA-N 2 1 235.375 2.120 20 30 BEEDMP C=CC[N@H+](CCC#N)CC1CC[NH+](CC)CC1 ZINC001474544871 987754801 /nfs/dbraw/zinc/75/48/01/987754801.db2.gz VYFGJIOJXIZTBY-UHFFFAOYSA-N 2 1 235.375 2.120 20 30 BEEDMP N#CCC1CCC([N@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246541089 987911024 /nfs/dbraw/zinc/91/10/24/987911024.db2.gz LOLPZIDVSUBKTI-MOKVOYLWSA-N 2 1 235.375 2.272 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553700 987956902 /nfs/dbraw/zinc/95/69/02/987956902.db2.gz BWCHHJBHVPVTCA-WDEREUQCSA-N 2 1 232.318 2.257 20 30 BEEDMP CCCCCCC[C@@H](CC)N1C[C@@H]([NH3+])[C@H](O)C1 ZINC001246559194 987982606 /nfs/dbraw/zinc/98/26/06/987982606.db2.gz SKLMTLCGGDMDHU-MGPQQGTHSA-N 2 1 242.407 2.129 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246558958 987983942 /nfs/dbraw/zinc/98/39/42/987983942.db2.gz OEOFLHBUHLLDKI-MGPQQGTHSA-N 2 1 237.391 2.376 20 30 BEEDMP C[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C[C@@H]1[NH3+] ZINC001246566707 988024923 /nfs/dbraw/zinc/02/49/23/988024923.db2.gz UTUHBCAFLMYFBL-RYSNWHEDSA-N 2 1 235.375 2.128 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589637 988167911 /nfs/dbraw/zinc/16/79/11/988167911.db2.gz SYAFKILCHHESGQ-SDDRHHMPSA-N 2 1 214.328 2.102 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001246589637 988167932 /nfs/dbraw/zinc/16/79/32/988167932.db2.gz SYAFKILCHHESGQ-SDDRHHMPSA-N 2 1 214.328 2.102 20 30 BEEDMP N#CC1CCC([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246592538 988174311 /nfs/dbraw/zinc/17/43/11/988174311.db2.gz KDWVESRJYYVHDX-MOKVOYLWSA-N 2 1 235.375 2.130 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4C[NH2+]CC[C@H]43)C[C@H](C1)C2 ZINC001246672746 988416759 /nfs/dbraw/zinc/41/67/59/988416759.db2.gz LDLVUONHVNTHCD-YSEJDXQZSA-N 2 1 246.398 2.415 20 30 BEEDMP CC[C@H]([NH3+])C[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001246973092 988804241 /nfs/dbraw/zinc/80/42/41/988804241.db2.gz HLEOENWLSFZUNF-DOMZBBRYSA-N 2 1 245.370 2.158 20 30 BEEDMP CC[C@H]([NH3+])C[N@@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001246973092 988804246 /nfs/dbraw/zinc/80/42/46/988804246.db2.gz HLEOENWLSFZUNF-DOMZBBRYSA-N 2 1 245.370 2.158 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247013655 988839712 /nfs/dbraw/zinc/83/97/12/988839712.db2.gz HODZIJRYYUSXFW-MELADBBJSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247013655 988839719 /nfs/dbraw/zinc/83/97/19/988839719.db2.gz HODZIJRYYUSXFW-MELADBBJSA-N 2 1 222.376 2.415 20 30 BEEDMP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC001325724366 989242259 /nfs/dbraw/zinc/24/22/59/989242259.db2.gz WRDZSMJVXHIZJW-GHMZBOCLSA-N 2 1 249.333 2.346 20 30 BEEDMP C=CCOc1cccc(C[NH2+]CCC[NH+](C)C)c1 ZINC001560247327 991440189 /nfs/dbraw/zinc/44/01/89/991440189.db2.gz WEKGNYSJVMNUBS-UHFFFAOYSA-N 2 1 248.370 2.293 20 30 BEEDMP CCC[NH+]1CCC([N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001258775264 991738325 /nfs/dbraw/zinc/73/83/25/991738325.db2.gz HTQCAASXDUKGQD-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP CCC[NH+]1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001258775264 991738327 /nfs/dbraw/zinc/73/83/27/991738327.db2.gz HTQCAASXDUKGQD-CQSZACIVSA-N 2 1 249.402 2.486 20 30 BEEDMP C=C(C)CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001574836174 992924639 /nfs/dbraw/zinc/92/46/39/992924639.db2.gz WFSRCKTZHWFLBJ-AWEZNQCLSA-N 2 1 222.376 2.418 20 30 BEEDMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001575940924 993132506 /nfs/dbraw/zinc/13/25/06/993132506.db2.gz DVQQQLGVELGRNF-WDEREUQCSA-N 2 1 249.383 2.240 20 30 BEEDMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(C#N)s1 ZINC001575940922 993133912 /nfs/dbraw/zinc/13/39/12/993133912.db2.gz DVQQQLGVELGRNF-MNOVXSKESA-N 2 1 249.383 2.240 20 30 BEEDMP C=CC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000161779047 349505183 /nfs/dbraw/zinc/50/51/83/349505183.db2.gz GSDJKXYRQAVXEC-UHFFFAOYSA-N 2 1 233.359 2.480 20 30 BEEDMP C[N@H+]1CCC[C@@H]1CCN(CCC#N)CC1CC1 ZINC000161985343 349527943 /nfs/dbraw/zinc/52/79/43/349527943.db2.gz ZFWBMXSNSJJWQS-CQSZACIVSA-N 2 1 235.375 2.096 20 30 BEEDMP C=CC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191483922 136227898 /nfs/dbraw/zinc/22/78/98/136227898.db2.gz YRLMPNXFBRJFCQ-UHFFFAOYSA-N 2 1 221.348 2.344 20 30 BEEDMP C=CC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191483922 136227899 /nfs/dbraw/zinc/22/78/99/136227899.db2.gz YRLMPNXFBRJFCQ-UHFFFAOYSA-N 2 1 221.348 2.344 20 30 BEEDMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602547166 349590164 /nfs/dbraw/zinc/59/01/64/349590164.db2.gz AYMZUMCSYOSCCM-IYXRBSQSSA-N 2 1 237.391 2.389 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000602510017 349584160 /nfs/dbraw/zinc/58/41/60/349584160.db2.gz IEBQDPRASBIWAU-QWHCGFSZSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602538721 349604775 /nfs/dbraw/zinc/60/47/75/349604775.db2.gz HJAAVXXTKRGIRR-ZDUSSCGKSA-N 2 1 235.375 2.166 20 30 BEEDMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CCC#N)CC1 ZINC000259934914 349617633 /nfs/dbraw/zinc/61/76/33/349617633.db2.gz HWDAIVGAJKLJHH-OAHLLOKOSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000602687938 349678564 /nfs/dbraw/zinc/67/85/64/349678564.db2.gz RBRKIGOYWQYYDK-UONOGXRCSA-N 2 1 237.391 2.248 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000602669161 349685707 /nfs/dbraw/zinc/68/57/07/349685707.db2.gz YYVLVXYBYGYJBV-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000602669161 349685711 /nfs/dbraw/zinc/68/57/11/349685711.db2.gz YYVLVXYBYGYJBV-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000602669161 349685714 /nfs/dbraw/zinc/68/57/14/349685714.db2.gz YYVLVXYBYGYJBV-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000602669160 349686142 /nfs/dbraw/zinc/68/61/42/349686142.db2.gz YYVLVXYBYGYJBV-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000602669160 349686144 /nfs/dbraw/zinc/68/61/44/349686144.db2.gz YYVLVXYBYGYJBV-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000602669160 349686146 /nfs/dbraw/zinc/68/61/46/349686146.db2.gz YYVLVXYBYGYJBV-KFWWJZLASA-N 2 1 249.402 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602781041 349746986 /nfs/dbraw/zinc/74/69/86/349746986.db2.gz GLKPXMDQJRDEOL-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602781041 349746990 /nfs/dbraw/zinc/74/69/90/349746990.db2.gz GLKPXMDQJRDEOL-AWEZNQCLSA-N 2 1 249.402 2.344 20 30 BEEDMP CC[N@@H+]1CC[C@@H]([NH+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746330 /nfs/dbraw/zinc/74/63/30/349746330.db2.gz SQQMIMLPSVJXLB-UONOGXRCSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746332 /nfs/dbraw/zinc/74/63/32/349746332.db2.gz SQQMIMLPSVJXLB-UONOGXRCSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746334 /nfs/dbraw/zinc/74/63/34/349746334.db2.gz SQQMIMLPSVJXLB-UONOGXRCSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746336 /nfs/dbraw/zinc/74/63/36/349746336.db2.gz SQQMIMLPSVJXLB-UONOGXRCSA-N 2 1 249.402 2.485 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000336627251 136264598 /nfs/dbraw/zinc/26/45/98/136264598.db2.gz ZPKZPCLVHKEOGP-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000336627251 136264599 /nfs/dbraw/zinc/26/45/99/136264599.db2.gz ZPKZPCLVHKEOGP-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@H+](CCC)C1CC[NH2+]CC1 ZINC000070593210 343333803 /nfs/dbraw/zinc/33/38/03/343333803.db2.gz CIWASVSCGNZRQI-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP CCC1([NH+](C)C)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000602966864 349828197 /nfs/dbraw/zinc/82/81/97/349828197.db2.gz UERDGQGIIGMLFV-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979173 349843386 /nfs/dbraw/zinc/84/33/86/349843386.db2.gz AQOJEBKFWBSWAD-UONOGXRCSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979173 349843388 /nfs/dbraw/zinc/84/33/88/349843388.db2.gz AQOJEBKFWBSWAD-UONOGXRCSA-N 2 1 246.358 2.206 20 30 BEEDMP C[N@@H+](CCC#N)CCCC[NH+]1CCCCC1 ZINC000603110005 349870712 /nfs/dbraw/zinc/87/07/12/349870712.db2.gz JAXUMMYNSMESBF-UHFFFAOYSA-N 2 1 223.364 2.098 20 30 BEEDMP C[N@H+](CCC#N)CCCC[NH+]1CCCCC1 ZINC000603110005 349870714 /nfs/dbraw/zinc/87/07/14/349870714.db2.gz JAXUMMYNSMESBF-UHFFFAOYSA-N 2 1 223.364 2.098 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000625703399 344048153 /nfs/dbraw/zinc/04/81/53/344048153.db2.gz KSDVUZOQNVFHQF-AWEZNQCLSA-N 2 1 233.359 2.480 20 30 BEEDMP C=CC[C@H]1CC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000625703399 344048154 /nfs/dbraw/zinc/04/81/54/344048154.db2.gz KSDVUZOQNVFHQF-AWEZNQCLSA-N 2 1 233.359 2.480 20 30 BEEDMP CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000251719788 344231309 /nfs/dbraw/zinc/23/13/09/344231309.db2.gz JWZFJTDYJXVGHT-LSDHHAIUSA-N 2 1 243.354 2.117 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000336776340 537847418 /nfs/dbraw/zinc/84/74/18/537847418.db2.gz FOUZOBRDTKXKBY-UHFFFAOYSA-N 2 1 222.376 2.417 20 30 BEEDMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361462117 535005036 /nfs/dbraw/zinc/00/50/36/535005036.db2.gz FCJFSBASWNZXDF-KBPBESRZSA-N 2 1 237.391 2.389 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000295066164 346354657 /nfs/dbraw/zinc/35/46/57/346354657.db2.gz ROFZESZXFZWCAW-LBPRGKRZSA-N 2 1 236.384 2.354 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000295066164 346354658 /nfs/dbraw/zinc/35/46/58/346354658.db2.gz ROFZESZXFZWCAW-LBPRGKRZSA-N 2 1 236.384 2.354 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000309599349 347114372 /nfs/dbraw/zinc/11/43/72/347114372.db2.gz XFHFHOQZWZYIMF-IGQOVBAYSA-N 2 1 222.376 2.413 20 30 BEEDMP C=CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786353 347557184 /nfs/dbraw/zinc/55/71/84/347557184.db2.gz TXIBUVDHVCCKMO-UHFFFAOYSA-N 2 1 210.365 2.225 20 30 BEEDMP N#CC1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000594740555 348111127 /nfs/dbraw/zinc/11/11/27/348111127.db2.gz YWRGWRLEUVAHQR-CHWSQXEVSA-N 2 1 235.375 2.320 20 30 BEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCC#N)C2 ZINC000595507463 348264809 /nfs/dbraw/zinc/26/48/09/348264809.db2.gz NVUBXBCPXKEKPF-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCC#N)C2 ZINC000595507463 348264812 /nfs/dbraw/zinc/26/48/12/348264812.db2.gz NVUBXBCPXKEKPF-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCC#N)C2 ZINC000595507463 348264813 /nfs/dbraw/zinc/26/48/13/348264813.db2.gz NVUBXBCPXKEKPF-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCC#N)C2 ZINC000595507462 348265054 /nfs/dbraw/zinc/26/50/54/348265054.db2.gz NVUBXBCPXKEKPF-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCC#N)C2 ZINC000595507462 348265055 /nfs/dbraw/zinc/26/50/55/348265055.db2.gz NVUBXBCPXKEKPF-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCC#N)C2 ZINC000595507462 348265058 /nfs/dbraw/zinc/26/50/58/348265058.db2.gz NVUBXBCPXKEKPF-AWEZNQCLSA-N 2 1 235.375 2.098 20 30 BEEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126757071 166293762 /nfs/dbraw/zinc/29/37/62/166293762.db2.gz UPIJNBRBWPVKLB-OLZOCXBDSA-N 2 1 222.376 2.415 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843502 348381185 /nfs/dbraw/zinc/38/11/85/348381185.db2.gz KRBKYDWOKZXMAE-CQSZACIVSA-N 2 1 246.358 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595843502 348381187 /nfs/dbraw/zinc/38/11/87/348381187.db2.gz KRBKYDWOKZXMAE-CQSZACIVSA-N 2 1 246.358 2.207 20 30 BEEDMP C=CCCSCC[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000596649907 348605267 /nfs/dbraw/zinc/60/52/67/348605267.db2.gz HJBSMNVHQKTWIQ-OLZOCXBDSA-N 2 1 242.432 2.416 20 30 BEEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598964565 349068476 /nfs/dbraw/zinc/06/84/76/349068476.db2.gz XMAQWFVQVBXJSZ-LBPRGKRZSA-N 2 1 242.432 2.368 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000598982581 349076564 /nfs/dbraw/zinc/07/65/64/349076564.db2.gz JXJKRNQJCSFLHV-XQQFMLRXSA-N 2 1 235.375 2.141 20 30 BEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411300916 191175932 /nfs/dbraw/zinc/17/59/32/191175932.db2.gz RAVYIEHOCWGFOA-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000411300916 191175935 /nfs/dbraw/zinc/17/59/35/191175935.db2.gz RAVYIEHOCWGFOA-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000411323986 191178639 /nfs/dbraw/zinc/17/86/39/191178639.db2.gz JWQJMQAJZWPMQR-MGPQQGTHSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000411323986 191178642 /nfs/dbraw/zinc/17/86/42/191178642.db2.gz JWQJMQAJZWPMQR-MGPQQGTHSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000411323986 191178644 /nfs/dbraw/zinc/17/86/44/191178644.db2.gz JWQJMQAJZWPMQR-MGPQQGTHSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000411323987 191178784 /nfs/dbraw/zinc/17/87/84/191178784.db2.gz JWQJMQAJZWPMQR-RDBSUJKOSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000411323987 191178785 /nfs/dbraw/zinc/17/87/85/191178785.db2.gz JWQJMQAJZWPMQR-RDBSUJKOSA-N 2 1 235.375 2.095 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000411323987 191178788 /nfs/dbraw/zinc/17/87/88/191178788.db2.gz JWQJMQAJZWPMQR-RDBSUJKOSA-N 2 1 235.375 2.095 20 30 BEEDMP C=CCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000334186871 352776763 /nfs/dbraw/zinc/77/67/63/352776763.db2.gz GYABLTBCVGBTRF-UHFFFAOYSA-N 2 1 208.349 2.123 20 30 BEEDMP C=CCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334186871 352776765 /nfs/dbraw/zinc/77/67/65/352776765.db2.gz GYABLTBCVGBTRF-UHFFFAOYSA-N 2 1 208.349 2.123 20 30 BEEDMP C=CCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334186871 352776767 /nfs/dbraw/zinc/77/67/67/352776767.db2.gz GYABLTBCVGBTRF-UHFFFAOYSA-N 2 1 208.349 2.123 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000336751428 353059346 /nfs/dbraw/zinc/05/93/46/353059346.db2.gz VHVYOWJQLPMROU-STQMWFEESA-N 2 1 222.376 2.273 20 30 BEEDMP C=C(CC)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334407618 353089159 /nfs/dbraw/zinc/08/91/59/353089159.db2.gz HLSPTRXGGITZRZ-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334407618 353089161 /nfs/dbraw/zinc/08/91/61/353089161.db2.gz HLSPTRXGGITZRZ-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000334407618 353089166 /nfs/dbraw/zinc/08/91/66/353089166.db2.gz HLSPTRXGGITZRZ-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334407618 353089170 /nfs/dbraw/zinc/08/91/70/353089170.db2.gz HLSPTRXGGITZRZ-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000334407618 353089173 /nfs/dbraw/zinc/08/91/73/353089173.db2.gz HLSPTRXGGITZRZ-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C#CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278834031 188095795 /nfs/dbraw/zinc/09/57/95/188095795.db2.gz ISRVASBFMUJSIU-UHFFFAOYSA-N 2 1 243.354 2.032 20 30 BEEDMP C#Cc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1 ZINC000289206691 353619453 /nfs/dbraw/zinc/61/94/53/353619453.db2.gz IEJJDYXAAMRUQO-MRXNPFEDSA-N 2 1 242.366 2.242 20 30 BEEDMP C#Cc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000289206691 353619458 /nfs/dbraw/zinc/61/94/58/353619458.db2.gz IEJJDYXAAMRUQO-MRXNPFEDSA-N 2 1 242.366 2.242 20 30 BEEDMP C#Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000290359252 353661157 /nfs/dbraw/zinc/66/11/57/353661157.db2.gz MPEOTVPUBXZTCH-UHFFFAOYSA-N 2 1 240.350 2.019 20 30 BEEDMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000343924190 354043824 /nfs/dbraw/zinc/04/38/24/354043824.db2.gz HDFWANIVLHUQSO-MJBXVCDLSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000343924190 354043827 /nfs/dbraw/zinc/04/38/27/354043827.db2.gz HDFWANIVLHUQSO-MJBXVCDLSA-N 2 1 237.391 2.389 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000449734062 202012142 /nfs/dbraw/zinc/01/21/42/202012142.db2.gz LTHLXFBJRGBSDF-CHWSQXEVSA-N 2 1 210.365 2.273 20 30 BEEDMP C=C(CC)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000449734065 202012222 /nfs/dbraw/zinc/01/22/22/202012222.db2.gz LTHLXFBJRGBSDF-STQMWFEESA-N 2 1 210.365 2.273 20 30 BEEDMP CC(C)[NH2+]C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334615584 354301410 /nfs/dbraw/zinc/30/14/10/354301410.db2.gz KXGYTTWHOUCXBS-OCCSQVGLSA-N 2 1 235.375 2.141 20 30 BEEDMP N#Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000020129042 181108782 /nfs/dbraw/zinc/10/87/82/181108782.db2.gz QQZXTTFYRGSSLP-UHFFFAOYSA-N 2 1 243.354 2.134 20 30 BEEDMP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351224325 355963959 /nfs/dbraw/zinc/96/39/59/355963959.db2.gz KDAQAFSNGHCOBC-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)CCC#N)C1 ZINC000351224325 355963962 /nfs/dbraw/zinc/96/39/62/355963962.db2.gz KDAQAFSNGHCOBC-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351224325 355963966 /nfs/dbraw/zinc/96/39/66/355963966.db2.gz KDAQAFSNGHCOBC-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000351224325 355963969 /nfs/dbraw/zinc/96/39/69/355963969.db2.gz KDAQAFSNGHCOBC-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000361218056 134203948 /nfs/dbraw/zinc/20/39/48/134203948.db2.gz VSIPQJWJIKGKKS-CHWSQXEVSA-N 2 1 240.391 2.040 20 30 BEEDMP C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193019923 357864955 /nfs/dbraw/zinc/86/49/55/357864955.db2.gz KUHSEBYVQGDJQP-AGUYFDCRSA-N 2 1 220.360 2.005 20 30 BEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000583761541 357936596 /nfs/dbraw/zinc/93/65/96/357936596.db2.gz UKUQWJRWDLPKPF-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000583761541 357936597 /nfs/dbraw/zinc/93/65/97/357936597.db2.gz UKUQWJRWDLPKPF-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000583761541 357936598 /nfs/dbraw/zinc/93/65/98/357936598.db2.gz UKUQWJRWDLPKPF-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000583761541 357936599 /nfs/dbraw/zinc/93/65/99/357936599.db2.gz UKUQWJRWDLPKPF-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000583761541 357936600 /nfs/dbraw/zinc/93/66/00/357936600.db2.gz UKUQWJRWDLPKPF-QWHCGFSZSA-N 2 1 208.349 2.121 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](CCC#N)CC1CC1 ZINC000122728569 134241168 /nfs/dbraw/zinc/24/11/68/134241168.db2.gz PSIARVNTTVEPNI-UHFFFAOYSA-N 2 1 246.358 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](CCC#N)CC1CC1 ZINC000122728569 134241169 /nfs/dbraw/zinc/24/11/69/134241169.db2.gz PSIARVNTTVEPNI-UHFFFAOYSA-N 2 1 246.358 2.207 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248887243 358124199 /nfs/dbraw/zinc/12/41/99/358124199.db2.gz MNFWUIXPJCTNMD-MJBXVCDLSA-N 2 1 235.375 2.000 20 30 BEEDMP CCCC[N@H+](C)CC1CC[NH+](CCC#N)CC1 ZINC000052209353 358776605 /nfs/dbraw/zinc/77/66/05/358776605.db2.gz OHJJKRCIIZSRAQ-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP CCCC[N@@H+](C)CC1CC[NH+](CCC#N)CC1 ZINC000052209353 358776606 /nfs/dbraw/zinc/77/66/06/358776606.db2.gz OHJJKRCIIZSRAQ-UHFFFAOYSA-N 2 1 237.391 2.344 20 30 BEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@H]1CC[C@@H](C#N)C1 ZINC000429697236 201125290 /nfs/dbraw/zinc/12/52/90/201125290.db2.gz IHPASQLALPMCLA-KFWWJZLASA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@H]1CC[C@@H](C#N)C1 ZINC000429697236 201125294 /nfs/dbraw/zinc/12/52/94/201125294.db2.gz IHPASQLALPMCLA-KFWWJZLASA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@H]1CC[C@@H](C#N)C1 ZINC000429697236 201125298 /nfs/dbraw/zinc/12/52/98/201125298.db2.gz IHPASQLALPMCLA-KFWWJZLASA-N 2 1 249.402 2.485 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429693145 201125883 /nfs/dbraw/zinc/12/58/83/201125883.db2.gz YQIUSOJAEWBWSP-SOUVJXGZSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429693145 201125887 /nfs/dbraw/zinc/12/58/87/201125887.db2.gz YQIUSOJAEWBWSP-SOUVJXGZSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429693145 201125890 /nfs/dbraw/zinc/12/58/90/201125890.db2.gz YQIUSOJAEWBWSP-SOUVJXGZSA-N 2 1 249.402 2.342 20 30 BEEDMP N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000429688648 201127679 /nfs/dbraw/zinc/12/76/79/201127679.db2.gz CRZPVQYIVJSEDE-RBSFLKMASA-N 2 1 247.386 2.096 20 30 BEEDMP N#C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000429726986 201128445 /nfs/dbraw/zinc/12/84/45/201128445.db2.gz RKXHTYXHBIPXNU-UKRRQHHQSA-N 2 1 247.386 2.239 20 30 BEEDMP N#C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000429726984 201129956 /nfs/dbraw/zinc/12/99/56/201129956.db2.gz RKXHTYXHBIPXNU-HIFRSBDPSA-N 2 1 247.386 2.239 20 30 BEEDMP C=CC[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629649971 361545995 /nfs/dbraw/zinc/54/59/95/361545995.db2.gz MOEIGRZOANEHNK-STQMWFEESA-N 2 1 210.365 2.258 20 30 BEEDMP CC#CCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000155353241 201325235 /nfs/dbraw/zinc/32/52/35/201325235.db2.gz FYCDAKBTTBVVLC-UHFFFAOYSA-N 2 1 222.376 2.204 20 30 BEEDMP C=CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173871682 365451818 /nfs/dbraw/zinc/45/18/18/365451818.db2.gz QLTIPIFBMSZWFL-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000618570500 369172725 /nfs/dbraw/zinc/17/27/25/369172725.db2.gz LNCGYDVAFMNVEM-RBSFLKMASA-N 2 1 249.402 2.390 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000618570502 369173019 /nfs/dbraw/zinc/17/30/19/369173019.db2.gz LNCGYDVAFMNVEM-ZNMIVQPWSA-N 2 1 249.402 2.390 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000459798788 203374742 /nfs/dbraw/zinc/37/47/42/203374742.db2.gz XXSNZBAVGHFUOL-MCIONIFRSA-N 2 1 235.375 2.000 20 30 BEEDMP Cc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1C#N ZINC000600707933 369559641 /nfs/dbraw/zinc/55/96/41/369559641.db2.gz CEFDVAZQOFLLRF-UHFFFAOYSA-N 2 1 243.354 2.180 20 30 BEEDMP CC#CCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000155923445 206071416 /nfs/dbraw/zinc/07/14/16/206071416.db2.gz ZYYULJAHWMXEAW-UHFFFAOYSA-N 2 1 222.376 2.206 20 30 BEEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000353971455 169197238 /nfs/dbraw/zinc/19/72/38/169197238.db2.gz JZYKYHKBNFSZBN-MELADBBJSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000353971455 169197239 /nfs/dbraw/zinc/19/72/39/169197239.db2.gz JZYKYHKBNFSZBN-MELADBBJSA-N 2 1 235.375 2.143 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC#N)CC[C@H]21 ZINC000227336024 134378215 /nfs/dbraw/zinc/37/82/15/134378215.db2.gz DGGIQBCYCCGWAH-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCC#N)CC[C@H]21 ZINC000227336024 134378216 /nfs/dbraw/zinc/37/82/16/134378216.db2.gz DGGIQBCYCCGWAH-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135180215 384168560 /nfs/dbraw/zinc/16/85/60/384168560.db2.gz KRQBSUNYPCGZFC-CYBMUJFWSA-N 2 1 237.391 2.248 20 30 BEEDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000070074542 384232065 /nfs/dbraw/zinc/23/20/65/384232065.db2.gz UWIAXGLPDNVAJN-WFASDCNBSA-N 2 1 243.354 2.117 20 30 BEEDMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135691359 384276934 /nfs/dbraw/zinc/27/69/34/384276934.db2.gz WPDYRNGBTXHEAH-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000135691359 384276939 /nfs/dbraw/zinc/27/69/39/384276939.db2.gz WPDYRNGBTXHEAH-NSHDSACASA-N 2 1 249.383 2.051 20 30 BEEDMP C=CCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000308786672 384356616 /nfs/dbraw/zinc/35/66/16/384356616.db2.gz GLWDKHHTUHFFER-JHJVBQTASA-N 2 1 210.365 2.271 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCCC#N)C1 ZINC000176277369 384591378 /nfs/dbraw/zinc/59/13/78/384591378.db2.gz HOKVKKVHORMVGK-AWEZNQCLSA-N 2 1 237.391 2.344 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000176277369 384591384 /nfs/dbraw/zinc/59/13/84/384591384.db2.gz HOKVKKVHORMVGK-AWEZNQCLSA-N 2 1 237.391 2.344 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000176277369 384591394 /nfs/dbraw/zinc/59/13/94/384591394.db2.gz HOKVKKVHORMVGK-AWEZNQCLSA-N 2 1 237.391 2.344 20 30 BEEDMP C#C[C@@H](C)[NH+](C)CCCCC[N@H+](C)[C@H](C)C#C ZINC000491810533 384823984 /nfs/dbraw/zinc/82/39/84/384823984.db2.gz ITSFTBQYKIGADZ-HUUCEWRRSA-N 2 1 234.387 2.064 20 30 BEEDMP C#C[C@H](C)[NH+](C)CCC(C)CC[N@@H+](C)[C@@H](C)C#C ZINC000491806341 384784305 /nfs/dbraw/zinc/78/43/05/384784305.db2.gz QWIXQNFBVUSULC-HOTGVXAUSA-N 2 1 248.414 2.310 20 30 BEEDMP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(C#N)s1 ZINC000135498375 384979936 /nfs/dbraw/zinc/97/99/36/384979936.db2.gz GTTDYUCWZSEGFV-SNVBAGLBSA-N 2 1 237.372 2.050 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310029591 385061476 /nfs/dbraw/zinc/06/14/76/385061476.db2.gz QRGDMVNEAHPPIN-STQMWFEESA-N 2 1 223.364 2.000 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310029591 385061482 /nfs/dbraw/zinc/06/14/82/385061482.db2.gz QRGDMVNEAHPPIN-STQMWFEESA-N 2 1 223.364 2.000 20 30 BEEDMP C#CC(C)(C)[N@H+](C)CCCCn1cc[nH+]c1C ZINC000491210149 385133337 /nfs/dbraw/zinc/13/33/37/385133337.db2.gz QNAIIFMEIIPROJ-UHFFFAOYSA-N 2 1 233.359 2.315 20 30 BEEDMP C#CC(C)(C)[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000491210149 385133346 /nfs/dbraw/zinc/13/33/46/385133346.db2.gz QNAIIFMEIIPROJ-UHFFFAOYSA-N 2 1 233.359 2.315 20 30 BEEDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000595505779 385631413 /nfs/dbraw/zinc/63/14/13/385631413.db2.gz YFBDPYJVINTNRS-RRFJBIMHSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000595505779 385631418 /nfs/dbraw/zinc/63/14/18/385631418.db2.gz YFBDPYJVINTNRS-RRFJBIMHSA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000595505779 385631423 /nfs/dbraw/zinc/63/14/23/385631423.db2.gz YFBDPYJVINTNRS-RRFJBIMHSA-N 2 1 247.386 2.096 20 30 BEEDMP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000602508526 385801257 /nfs/dbraw/zinc/80/12/57/385801257.db2.gz UMXYDNAUOPNGOA-GFCCVEGCSA-N 2 1 235.375 2.143 20 30 BEEDMP N#CCC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000602776861 385821215 /nfs/dbraw/zinc/82/12/15/385821215.db2.gz FGWCPLHJMQQHFY-CQSZACIVSA-N 2 1 247.386 2.098 20 30 BEEDMP N#CCC1(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000602776861 385821221 /nfs/dbraw/zinc/82/12/21/385821221.db2.gz FGWCPLHJMQQHFY-CQSZACIVSA-N 2 1 247.386 2.098 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]2CCC[C@H]21 ZINC000414159850 386045408 /nfs/dbraw/zinc/04/54/08/386045408.db2.gz CBWAINNHRUEYAG-MELADBBJSA-N 2 1 249.402 2.389 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000334912981 386985534 /nfs/dbraw/zinc/98/55/34/386985534.db2.gz NXKHLOQADXUZML-GXTWGEPZSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000334912982 386985975 /nfs/dbraw/zinc/98/59/75/386985975.db2.gz NXKHLOQADXUZML-JSGCOSHPSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000334912984 386986196 /nfs/dbraw/zinc/98/61/96/386986196.db2.gz NXKHLOQADXUZML-TZMCWYRMSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[C@@H](C)[NH+](C)CC#CC[N@H+](C)[C@H](C)CC ZINC000341893687 386995189 /nfs/dbraw/zinc/99/51/89/386995189.db2.gz RXZDKGBVTWEHHV-ZIAGYGMSSA-N 2 1 224.392 2.450 20 30 BEEDMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C#N)CC1 ZINC000230202031 387248310 /nfs/dbraw/zinc/24/83/10/387248310.db2.gz LDRLDLNDEWLSLD-AWEZNQCLSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C#N)CC1 ZINC000230202031 387248313 /nfs/dbraw/zinc/24/83/13/387248313.db2.gz LDRLDLNDEWLSLD-AWEZNQCLSA-N 2 1 235.375 2.096 20 30 BEEDMP C=C(Cl)C[NH+]1CCC(n2ccnc2)CC1 ZINC000267498396 387410712 /nfs/dbraw/zinc/41/07/12/387410712.db2.gz SBKXBELHNLTSGY-UHFFFAOYSA-N 2 1 225.723 2.273 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422983293 387793867 /nfs/dbraw/zinc/79/38/67/387793867.db2.gz SQUUCXRQVCNORW-GUTXKFCHSA-N 2 1 232.371 2.499 20 30 BEEDMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000442634965 387810357 /nfs/dbraw/zinc/81/03/57/387810357.db2.gz ICUGZIALGNDVSI-QWHCGFSZSA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442796870 387840804 /nfs/dbraw/zinc/84/08/04/387840804.db2.gz WHNRGKFYRSQLBQ-UONOGXRCSA-N 2 1 246.358 2.254 20 30 BEEDMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442796872 387842297 /nfs/dbraw/zinc/84/22/97/387842297.db2.gz WHNRGKFYRSQLBQ-ZIAGYGMSSA-N 2 1 246.358 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000328065965 387846685 /nfs/dbraw/zinc/84/66/85/387846685.db2.gz COOTUUOUBHKODL-UONOGXRCSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000328065965 387846691 /nfs/dbraw/zinc/84/66/91/387846691.db2.gz COOTUUOUBHKODL-UONOGXRCSA-N 2 1 222.376 2.110 20 30 BEEDMP C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423155884 387933886 /nfs/dbraw/zinc/93/38/86/387933886.db2.gz RKIQZZYDRKQBFR-KBXIAJHMSA-N 2 1 244.338 2.064 20 30 BEEDMP C=CCCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423281333 388064228 /nfs/dbraw/zinc/06/42/28/388064228.db2.gz UHGALOICSACAGU-WCQYABFASA-N 2 1 210.365 2.448 20 30 BEEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447536397 388076539 /nfs/dbraw/zinc/07/65/39/388076539.db2.gz MZNGMLXOKHKUKX-BFHYXJOUSA-N 2 1 237.391 2.389 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@@H+]1C ZINC000447545309 388076721 /nfs/dbraw/zinc/07/67/21/388076721.db2.gz QZATXEGYHNLEKZ-YIYPIFLZSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC[N@H+]1C ZINC000447545309 388076723 /nfs/dbraw/zinc/07/67/23/388076723.db2.gz QZATXEGYHNLEKZ-YIYPIFLZSA-N 2 1 235.375 2.141 20 30 BEEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423266466 388046233 /nfs/dbraw/zinc/04/62/33/388046233.db2.gz SCPGFIQKMIFAFK-FRRDWIJNSA-N 2 1 223.364 2.032 20 30 BEEDMP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(C#N)c1 ZINC000037213737 388237853 /nfs/dbraw/zinc/23/78/53/388237853.db2.gz RDFPJLYNVOOESP-LBPRGKRZSA-N 2 1 231.343 2.161 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000491653731 388308155 /nfs/dbraw/zinc/30/81/55/388308155.db2.gz DDWGDVCCCGMJHD-RRFJBIMHSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000491653731 388308156 /nfs/dbraw/zinc/30/81/56/388308156.db2.gz DDWGDVCCCGMJHD-RRFJBIMHSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000491210717 388277799 /nfs/dbraw/zinc/27/77/99/388277799.db2.gz XXPLSRFLSCLXAY-CABCVRRESA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000491210717 388277800 /nfs/dbraw/zinc/27/78/00/388277800.db2.gz XXPLSRFLSCLXAY-CABCVRRESA-N 2 1 234.387 2.110 20 30 BEEDMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCCC#N ZINC000308635458 388445795 /nfs/dbraw/zinc/44/57/95/388445795.db2.gz NYCWZPKKIQTAGK-UHFFFAOYSA-N 2 1 223.364 2.144 20 30 BEEDMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271934151 388413731 /nfs/dbraw/zinc/41/37/31/388413731.db2.gz MEDDDJVHDJSKRK-LLVKDONJSA-N 2 1 249.333 2.300 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000387442377 388581740 /nfs/dbraw/zinc/58/17/40/388581740.db2.gz PSAKXLGUERTYJB-RWMBFGLXSA-N 2 1 210.365 2.271 20 30 BEEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000552100476 388669334 /nfs/dbraw/zinc/66/93/34/388669334.db2.gz JZYKYHKBNFSZBN-IHRRRGAJSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000552100476 388669338 /nfs/dbraw/zinc/66/93/38/388669338.db2.gz JZYKYHKBNFSZBN-IHRRRGAJSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[N@H+]1CC[C@H]([NH+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227822 388661152 /nfs/dbraw/zinc/66/11/52/388661152.db2.gz RVTJWZJPEXOCEE-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@H+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227822 388661154 /nfs/dbraw/zinc/66/11/54/388661154.db2.gz RVTJWZJPEXOCEE-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227822 388661156 /nfs/dbraw/zinc/66/11/56/388661156.db2.gz RVTJWZJPEXOCEE-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)o2)CC[N@H+]1C ZINC000093644186 388745712 /nfs/dbraw/zinc/74/57/12/388745712.db2.gz KUEJTBJIJDVPCY-RYUDHWBXSA-N 2 1 247.342 2.066 20 30 BEEDMP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000423286788 388689578 /nfs/dbraw/zinc/68/95/78/388689578.db2.gz IUCXEUYYJLEBGE-ZDUSSCGKSA-N 2 1 231.343 2.336 20 30 BEEDMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423266683 388690250 /nfs/dbraw/zinc/69/02/50/388690250.db2.gz DVMLRVKNYAQSTJ-SMDDNHRTSA-N 2 1 231.343 2.192 20 30 BEEDMP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000423286787 388690317 /nfs/dbraw/zinc/69/03/17/388690317.db2.gz IUCXEUYYJLEBGE-CYBMUJFWSA-N 2 1 231.343 2.336 20 30 BEEDMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423326245 388690948 /nfs/dbraw/zinc/69/09/48/388690948.db2.gz LZNQFHACNCEOKM-LLVKDONJSA-N 2 1 229.327 2.090 20 30 BEEDMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423326251 388690992 /nfs/dbraw/zinc/69/09/92/388690992.db2.gz LZNQFHACNCEOKM-NSHDSACASA-N 2 1 229.327 2.090 20 30 BEEDMP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313907 388691042 /nfs/dbraw/zinc/69/10/42/388691042.db2.gz GIPMZPXURCWUOY-LSDHHAIUSA-N 2 1 243.354 2.336 20 30 BEEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352015022 533485441 /nfs/dbraw/zinc/48/54/41/533485441.db2.gz OWDBFANGQRSMQK-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000352015022 533485443 /nfs/dbraw/zinc/48/54/43/533485443.db2.gz OWDBFANGQRSMQK-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352015022 533485444 /nfs/dbraw/zinc/48/54/44/533485444.db2.gz OWDBFANGQRSMQK-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000352015022 533485449 /nfs/dbraw/zinc/48/54/49/533485449.db2.gz OWDBFANGQRSMQK-QWHCGFSZSA-N 2 1 210.365 2.367 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000367616966 134216039 /nfs/dbraw/zinc/21/60/39/134216039.db2.gz MRZMJCWPHQEBAF-IHRRRGAJSA-N 2 1 247.386 2.143 20 30 BEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCC(C)(C)C#N)CC[C@H]21 ZINC000227336489 134377865 /nfs/dbraw/zinc/37/78/65/134377865.db2.gz FGASJUZCYWNDEB-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000227336489 134377866 /nfs/dbraw/zinc/37/78/66/134377866.db2.gz FGASJUZCYWNDEB-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(C)(C)C#N)CC[C@H]21 ZINC000227336489 134377867 /nfs/dbraw/zinc/37/78/67/134377867.db2.gz FGASJUZCYWNDEB-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC#N)CC[C@H]21 ZINC000227336024 134378214 /nfs/dbraw/zinc/37/82/14/134378214.db2.gz DGGIQBCYCCGWAH-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP N#C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000185776031 134394522 /nfs/dbraw/zinc/39/45/22/134394522.db2.gz OIPMTZYNKUDGCL-IHRRRGAJSA-N 2 1 247.386 2.143 20 30 BEEDMP C=CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000338547057 135038857 /nfs/dbraw/zinc/03/88/57/135038857.db2.gz QOLXWUGJJGXCRR-CQSZACIVSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000338547057 135038858 /nfs/dbraw/zinc/03/88/58/135038858.db2.gz QOLXWUGJJGXCRR-CQSZACIVSA-N 2 1 222.376 2.226 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293840916 135183658 /nfs/dbraw/zinc/18/36/58/135183658.db2.gz QNYCACOCILJWRO-UONOGXRCSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293840916 135183660 /nfs/dbraw/zinc/18/36/60/135183660.db2.gz QNYCACOCILJWRO-UONOGXRCSA-N 2 1 246.358 2.206 20 30 BEEDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000334383093 135380008 /nfs/dbraw/zinc/38/00/08/135380008.db2.gz KSZGUIGKJZPUFJ-PPWQZUPISA-N 2 1 249.402 2.246 20 30 BEEDMP C=CCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336772657 166244335 /nfs/dbraw/zinc/24/43/35/166244335.db2.gz XWQRRPRXNVPXFX-QWHCGFSZSA-N 2 1 210.365 2.273 20 30 BEEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C1 ZINC000651669392 411133675 /nfs/dbraw/zinc/13/36/75/411133675.db2.gz SCMBKONVKZOIFK-JSGCOSHPSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCSCC[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422941068 411235287 /nfs/dbraw/zinc/23/52/87/411235287.db2.gz HMXVPWLGKZUEBW-NEPJUHHUSA-N 2 1 228.405 2.026 20 30 BEEDMP C=CC[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000656787220 411366048 /nfs/dbraw/zinc/36/60/48/411366048.db2.gz HITATLBEQRMAJG-ZDUSSCGKSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000656787219 411366508 /nfs/dbraw/zinc/36/65/08/411366508.db2.gz HITATLBEQRMAJG-CYBMUJFWSA-N 2 1 222.376 2.274 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)CCC ZINC000328203996 323199355 /nfs/dbraw/zinc/19/93/55/323199355.db2.gz UJQAUTVMIHAONA-CYBMUJFWSA-N 2 1 210.365 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)CCC ZINC000328203996 323199356 /nfs/dbraw/zinc/19/93/56/323199356.db2.gz UJQAUTVMIHAONA-CYBMUJFWSA-N 2 1 210.365 2.110 20 30 BEEDMP CC[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135151441 325397407 /nfs/dbraw/zinc/39/74/07/325397407.db2.gz ZDVFQNXWJWIZBR-ZDUSSCGKSA-N 2 1 237.391 2.248 20 30 BEEDMP C=CCCC[N@H+](C)Cc1cnc(C)n1C ZINC000667656471 488076716 /nfs/dbraw/zinc/07/67/16/488076716.db2.gz IEXYACYHODXVHC-UHFFFAOYSA-N 2 1 207.321 2.127 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228138 488135404 /nfs/dbraw/zinc/13/54/04/488135404.db2.gz VQIPNCOICGWPSI-UONOGXRCSA-N 2 1 222.376 2.204 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228138 488135408 /nfs/dbraw/zinc/13/54/08/488135408.db2.gz VQIPNCOICGWPSI-UONOGXRCSA-N 2 1 222.376 2.204 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620691 491079528 /nfs/dbraw/zinc/07/95/28/491079528.db2.gz OWEUXIMZUGAILF-AWEZNQCLSA-N 2 1 246.358 2.207 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620691 491079529 /nfs/dbraw/zinc/07/95/29/491079529.db2.gz OWEUXIMZUGAILF-AWEZNQCLSA-N 2 1 246.358 2.207 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251212755 534419332 /nfs/dbraw/zinc/41/93/32/534419332.db2.gz KLRAKKRTBDDAJW-OLZOCXBDSA-N 2 1 208.349 2.169 20 30 BEEDMP C=C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000335937775 534464304 /nfs/dbraw/zinc/46/43/04/534464304.db2.gz OOVPEBJFCRPLHC-ZDUSSCGKSA-N 2 1 208.349 2.123 20 30 BEEDMP C=C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000335937775 534464316 /nfs/dbraw/zinc/46/43/16/534464316.db2.gz OOVPEBJFCRPLHC-ZDUSSCGKSA-N 2 1 208.349 2.123 20 30 BEEDMP C=C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261555733 534695895 /nfs/dbraw/zinc/69/58/95/534695895.db2.gz VERWZJMQPGKDAM-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C#C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(C)C ZINC000300862647 527409980 /nfs/dbraw/zinc/40/99/80/527409980.db2.gz GQTZJZIAWNEUAC-AWEZNQCLSA-N 2 1 222.376 2.107 20 30 BEEDMP CCCCCCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000100011944 582753329 /nfs/dbraw/zinc/75/33/29/582753329.db2.gz QRAJPEAURIVTGU-CYBMUJFWSA-N 2 1 212.381 2.498 20 30 BEEDMP C=CC[NH+](CC=C)Cc1c(C)ccnc1N ZINC000893871917 583237021 /nfs/dbraw/zinc/23/70/21/583237021.db2.gz NRDMKHQYSFWKIE-UHFFFAOYSA-N 2 1 217.316 2.146 20 30 BEEDMP C#C[C@@H](C)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000894383457 583442527 /nfs/dbraw/zinc/44/25/27/583442527.db2.gz LNEWFXVNVBGSJW-CYBMUJFWSA-N 2 1 222.376 2.108 20 30 BEEDMP C#Cc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)cc1 ZINC000895291744 583636956 /nfs/dbraw/zinc/63/69/56/583636956.db2.gz CINORUDQGPHUOL-ZDUSSCGKSA-N 2 1 230.355 2.098 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000872140428 583947881 /nfs/dbraw/zinc/94/78/81/583947881.db2.gz MRHULAIYOBERHW-YHUYYLMFSA-N 2 1 248.414 2.498 20 30 BEEDMP C[N@@H+](CC1CCC(C#N)CC1)C1CC[NH2+]CC1 ZINC000903421638 584764072 /nfs/dbraw/zinc/76/40/72/584764072.db2.gz PXEMXPSHOIRLER-UHFFFAOYSA-N 2 1 235.375 2.000 20 30 BEEDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903424749 584765530 /nfs/dbraw/zinc/76/55/30/584765530.db2.gz DRTYBGPMTULKIJ-XSCHDIRWSA-N 2 1 249.402 2.376 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](C[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000903464100 584767338 /nfs/dbraw/zinc/76/73/38/584767338.db2.gz ZKWKWJNJMOBZJU-MELADBBJSA-N 2 1 222.376 2.402 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000903449816 584771165 /nfs/dbraw/zinc/77/11/65/584771165.db2.gz HHVVYMRCNMTWES-SLTAFYQDSA-N 2 1 249.402 2.377 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903769542 584797831 /nfs/dbraw/zinc/79/78/31/584797831.db2.gz IUPQXKRWBFTPPX-ZIAGYGMSSA-N 2 1 222.376 2.274 20 30 BEEDMP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903779456 584799628 /nfs/dbraw/zinc/79/96/28/584799628.db2.gz ZXORAFZQQXTEFK-OLZOCXBDSA-N 2 1 235.375 2.272 20 30 BEEDMP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCCCC1(C#N)CCC1 ZINC000903779456 584799629 /nfs/dbraw/zinc/79/96/29/584799629.db2.gz ZXORAFZQQXTEFK-OLZOCXBDSA-N 2 1 235.375 2.272 20 30 BEEDMP C#CCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000766902356 585510507 /nfs/dbraw/zinc/51/05/07/585510507.db2.gz GSRCCZTZWXYBGE-HNNXBMFYSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000766902356 585510508 /nfs/dbraw/zinc/51/05/08/585510508.db2.gz GSRCCZTZWXYBGE-HNNXBMFYSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000766902356 585510509 /nfs/dbraw/zinc/51/05/09/585510509.db2.gz GSRCCZTZWXYBGE-HNNXBMFYSA-N 2 1 234.387 2.064 20 30 BEEDMP C#CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000766903101 585510830 /nfs/dbraw/zinc/51/08/30/585510830.db2.gz PRRCHDQSDDEBCX-OAHLLOKOSA-N 2 1 234.387 2.350 20 30 BEEDMP C#CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000766920945 585511756 /nfs/dbraw/zinc/51/17/56/585511756.db2.gz SEMMUTGYFSVDEU-KGLIPLIRSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000766920945 585511757 /nfs/dbraw/zinc/51/17/57/585511757.db2.gz SEMMUTGYFSVDEU-KGLIPLIRSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000766920945 585511758 /nfs/dbraw/zinc/51/17/58/585511758.db2.gz SEMMUTGYFSVDEU-KGLIPLIRSA-N 2 1 222.376 2.062 20 30 BEEDMP C=C(C)C[N@@H+](CC)CC1CC[NH+](C)CC1 ZINC000788469493 585925299 /nfs/dbraw/zinc/92/52/99/585925299.db2.gz LBMLIQMPAZRHKL-UHFFFAOYSA-N 2 1 210.365 2.226 20 30 BEEDMP CC[N@H+]1CC[C@H](NCC2(C#N)CCC2)[C@@H](C)C1 ZINC000841898943 587982910 /nfs/dbraw/zinc/98/29/10/587982910.db2.gz QRORIJFJLZKRGU-STQMWFEESA-N 2 1 235.375 2.000 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000862362719 589204169 /nfs/dbraw/zinc/20/41/69/589204169.db2.gz DKGZYIQHLHSJMZ-STQMWFEESA-N 2 1 222.376 2.107 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(C)C ZINC000862362719 589204171 /nfs/dbraw/zinc/20/41/71/589204171.db2.gz DKGZYIQHLHSJMZ-STQMWFEESA-N 2 1 222.376 2.107 20 30 BEEDMP CC1(C)CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[NH2+]C1 ZINC000873237580 590003761 /nfs/dbraw/zinc/00/37/61/590003761.db2.gz RCWDCVMFZAXEGB-HZSPNIEDSA-N 2 1 249.402 2.437 20 30 BEEDMP C#CCCCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000876730834 590234176 /nfs/dbraw/zinc/23/41/76/590234176.db2.gz LXVOMWIBAAZELH-OAHLLOKOSA-N 2 1 236.403 2.454 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580719 590822515 /nfs/dbraw/zinc/82/25/15/590822515.db2.gz UQVCPWGFZQNYSO-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580719 590822506 /nfs/dbraw/zinc/82/25/06/590822506.db2.gz UQVCPWGFZQNYSO-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580719 590822509 /nfs/dbraw/zinc/82/25/09/590822509.db2.gz UQVCPWGFZQNYSO-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580719 590822511 /nfs/dbraw/zinc/82/25/11/590822511.db2.gz UQVCPWGFZQNYSO-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925703031 634379713 /nfs/dbraw/zinc/37/97/13/634379713.db2.gz SBAIMAVGMFIQLS-CHWSQXEVSA-N 2 1 210.365 2.463 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000328025843 633212787 /nfs/dbraw/zinc/21/27/87/633212787.db2.gz UJFTXCJGJMPCOV-OAHLLOKOSA-N 2 1 244.382 2.335 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](C)c1ccccc1 ZINC000328025843 633212792 /nfs/dbraw/zinc/21/27/92/633212792.db2.gz UJFTXCJGJMPCOV-OAHLLOKOSA-N 2 1 244.382 2.335 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccsc1C ZINC000328115691 633733241 /nfs/dbraw/zinc/73/32/41/633733241.db2.gz PDUXHICTAJDYGF-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccsc1C ZINC000328115691 633733247 /nfs/dbraw/zinc/73/32/47/633733247.db2.gz PDUXHICTAJDYGF-UHFFFAOYSA-N 2 1 236.384 2.101 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(C)cc1C ZINC000328194101 633743496 /nfs/dbraw/zinc/74/34/96/633743496.db2.gz QVXNPXHCPKNEMJ-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(C)cc1C ZINC000328194101 633743501 /nfs/dbraw/zinc/74/35/01/633743501.db2.gz QVXNPXHCPKNEMJ-UHFFFAOYSA-N 2 1 244.382 2.348 20 30 BEEDMP C[NH+](C)C1(C)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000931353138 634370144 /nfs/dbraw/zinc/37/01/44/634370144.db2.gz ZYPJZZQHZABSEP-CHWSQXEVSA-N 2 1 235.375 2.095 20 30 BEEDMP CCCCCCCC[N@@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250819713 635700971 /nfs/dbraw/zinc/70/09/71/635700971.db2.gz KTGAMBNLMBWENV-UONOGXRCSA-N 2 1 242.407 2.395 20 30 BEEDMP CCCCCCCC[N@H+]1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250819713 635700975 /nfs/dbraw/zinc/70/09/75/635700975.db2.gz KTGAMBNLMBWENV-UONOGXRCSA-N 2 1 242.407 2.395 20 30 BEEDMP C=CCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931311184 640139781 /nfs/dbraw/zinc/13/97/81/640139781.db2.gz OKXZZSLEAYYKMY-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931311184 640139796 /nfs/dbraw/zinc/13/97/96/640139796.db2.gz OKXZZSLEAYYKMY-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311184 640139805 /nfs/dbraw/zinc/13/98/05/640139805.db2.gz OKXZZSLEAYYKMY-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311184 640139815 /nfs/dbraw/zinc/13/98/15/640139815.db2.gz OKXZZSLEAYYKMY-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=CC[C@H](C)[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316009 640156325 /nfs/dbraw/zinc/15/63/25/640156325.db2.gz FTJLKABIEYLUOY-MELADBBJSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@H](C)[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931316009 640156331 /nfs/dbraw/zinc/15/63/31/640156331.db2.gz FTJLKABIEYLUOY-MELADBBJSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@H](C)[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931316009 640156336 /nfs/dbraw/zinc/15/63/36/640156336.db2.gz FTJLKABIEYLUOY-MELADBBJSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CC[C@H](C)[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931316009 640156340 /nfs/dbraw/zinc/15/63/40/640156340.db2.gz FTJLKABIEYLUOY-MELADBBJSA-N 2 1 222.376 2.225 20 30 BEEDMP C#CC[NH+](C/C=C\C[N@@H+](CC#C)C(C)C)C(C)C ZINC000932382628 640507869 /nfs/dbraw/zinc/50/78/69/640507869.db2.gz ARHXEYNDUXQGJB-KTKRTIGZSA-N 2 1 246.398 2.230 20 30 BEEDMP C#CC(C)(C)[NH+](C)C/C=C/C[N@H+](C)C(C)(C)C#C ZINC000794574401 644803997 /nfs/dbraw/zinc/80/39/97/644803997.db2.gz GSJCKGGSAMAZHF-VAWYXSNFSA-N 2 1 246.398 2.230 20 30 BEEDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000924718155 646095113 /nfs/dbraw/zinc/09/51/13/646095113.db2.gz XTLLGCCMLQDISG-GFCCVEGCSA-N 2 1 248.374 2.500 20 30 BEEDMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929637006 646215003 /nfs/dbraw/zinc/21/50/03/646215003.db2.gz AGPFFBAIBWTWMQ-NRXISQOPSA-N 2 1 249.402 2.200 20 30 BEEDMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925652855 646391332 /nfs/dbraw/zinc/39/13/32/646391332.db2.gz BGIURTOPCFKAEN-ABXWRUBCSA-N 2 1 235.375 2.046 20 30 BEEDMP C=C1CCC(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000925835396 646503222 /nfs/dbraw/zinc/50/32/22/646503222.db2.gz OPQDUPGOPJEEIK-GXTWGEPZSA-N 2 1 222.376 2.320 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CC2(C1)CCCC2 ZINC000926491353 646660212 /nfs/dbraw/zinc/66/02/12/646660212.db2.gz VESCCDSLLKUKSS-UHFFFAOYSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CC2(C1)CCCC2 ZINC000926491353 646660216 /nfs/dbraw/zinc/66/02/16/646660216.db2.gz VESCCDSLLKUKSS-UHFFFAOYSA-N 2 1 234.387 2.254 20 30 BEEDMP C#C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(C)(C)C ZINC000702293662 712043125 /nfs/dbraw/zinc/04/31/25/712043125.db2.gz KBCRWDUHGYGFJI-MJBXVCDLSA-N 2 1 234.387 2.251 20 30 BEEDMP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000705315295 712128346 /nfs/dbraw/zinc/12/83/46/712128346.db2.gz FXXSTPGGIHECTL-GSPSYOTPSA-N 2 1 234.387 2.249 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C/C=C\c1ccccc1 ZINC000385676922 711016214 /nfs/dbraw/zinc/01/62/14/711016214.db2.gz ZZFLRWXUYNQJCB-XFFZJAGNSA-N 2 1 242.366 2.245 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C/C=C\c1ccccc1 ZINC000385676922 711016219 /nfs/dbraw/zinc/01/62/19/711016219.db2.gz ZZFLRWXUYNQJCB-XFFZJAGNSA-N 2 1 242.366 2.245 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000392769425 711152132 /nfs/dbraw/zinc/15/21/32/711152132.db2.gz BFWALJYUGOPHOY-HZPDHXFCSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000392769425 711152139 /nfs/dbraw/zinc/15/21/39/711152139.db2.gz BFWALJYUGOPHOY-HZPDHXFCSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000394782647 711197802 /nfs/dbraw/zinc/19/78/02/711197802.db2.gz HNBOJBVLNMQUHF-HUUCEWRRSA-N 2 1 236.403 2.357 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000394782647 711197803 /nfs/dbraw/zinc/19/78/03/711197803.db2.gz HNBOJBVLNMQUHF-HUUCEWRRSA-N 2 1 236.403 2.357 20 30 BEEDMP C=CCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000396651099 711359667 /nfs/dbraw/zinc/35/96/67/711359667.db2.gz DNUQLPBVPJHFFT-VXGBXAGGSA-N 2 1 210.365 2.319 20 30 BEEDMP C[N@@H+]1CC[C@H]2C[NH+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573441 711770138 /nfs/dbraw/zinc/77/01/38/711770138.db2.gz OFJIKASVFFKXRQ-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@H+]1CC[C@H]2C[NH+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573441 711770139 /nfs/dbraw/zinc/77/01/39/711770139.db2.gz OFJIKASVFFKXRQ-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@H+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573441 711770140 /nfs/dbraw/zinc/77/01/40/711770140.db2.gz OFJIKASVFFKXRQ-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C[NH+]1CC[C@H]2C[N@@H+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573441 711770141 /nfs/dbraw/zinc/77/01/41/711770141.db2.gz OFJIKASVFFKXRQ-UONOGXRCSA-N 2 1 249.402 2.342 20 30 BEEDMP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(C)(C)C ZINC000702293664 712042978 /nfs/dbraw/zinc/04/29/78/712042978.db2.gz KBCRWDUHGYGFJI-RDBSUJKOSA-N 2 1 234.387 2.251 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000703690045 712083692 /nfs/dbraw/zinc/08/36/92/712083692.db2.gz KPGCRPPLJGPEFL-LBPRGKRZSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713156783 712453509 /nfs/dbraw/zinc/45/35/09/712453509.db2.gz GMSIBJQSDONSTI-UHFFFAOYSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000720874256 712872427 /nfs/dbraw/zinc/87/24/27/712872427.db2.gz XFIBJZOLSGUGHL-ZJUUUORDSA-N 2 1 236.281 2.022 20 30 BEEDMP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CC[C@@H](C#N)C1 ZINC001167838428 961216365 /nfs/dbraw/zinc/21/63/65/961216365.db2.gz UIZPMYGEHAYTRX-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP C#CC(CC)(CC)[NH2+][C@@H]1CCC[N@@H+](C)CC1 ZINC001254497195 969658273 /nfs/dbraw/zinc/65/82/73/969658273.db2.gz HVQBOFMYWJVNGV-CYBMUJFWSA-N 2 1 222.376 2.252 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001254504369 969676782 /nfs/dbraw/zinc/67/67/82/969676782.db2.gz UYRYTZHVQUGQGK-MELADBBJSA-N 2 1 235.375 2.143 20 30 BEEDMP C#C[C@@H]1CCC[N@H+]([C@@H](C)CC[NH+](CC)CC)C1 ZINC001255963797 970604766 /nfs/dbraw/zinc/60/47/66/970604766.db2.gz KOJSBACZYGTUKR-LSDHHAIUSA-N 2 1 236.403 2.452 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205601980 981159870 /nfs/dbraw/zinc/15/98/70/981159870.db2.gz HNCOOBCWWJIAOO-CHWSQXEVSA-N 2 1 210.365 2.259 20 30 BEEDMP C#CC(C)(C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001256554323 970859872 /nfs/dbraw/zinc/85/98/72/970859872.db2.gz FNBLVIFAKJTISO-UHFFFAOYSA-N 2 1 222.376 2.251 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256617156 970881211 /nfs/dbraw/zinc/88/12/11/970881211.db2.gz IJUIDNXEMQDRHC-GSPSYOTPSA-N 2 1 220.360 2.003 20 30 BEEDMP C#C[C@@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256617156 970881216 /nfs/dbraw/zinc/88/12/16/970881216.db2.gz IJUIDNXEMQDRHC-GSPSYOTPSA-N 2 1 220.360 2.003 20 30 BEEDMP SCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904697 971017207 /nfs/dbraw/zinc/01/72/07/971017207.db2.gz LVSZOONWOMFDSO-GFCCVEGCSA-N 2 1 242.432 2.303 20 30 BEEDMP SCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256904697 971017228 /nfs/dbraw/zinc/01/72/28/971017228.db2.gz LVSZOONWOMFDSO-GFCCVEGCSA-N 2 1 242.432 2.303 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256953996 971031072 /nfs/dbraw/zinc/03/10/72/971031072.db2.gz UYRYTZHVQUGQGK-MOKVOYLWSA-N 2 1 235.375 2.143 20 30 BEEDMP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001257218945 971131919 /nfs/dbraw/zinc/13/19/19/971131919.db2.gz ZZDAOTOPPFHJTQ-AWEZNQCLSA-N 2 1 249.402 2.485 20 30 BEEDMP CC(C)[NH+]1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001257218945 971131926 /nfs/dbraw/zinc/13/19/26/971131926.db2.gz ZZDAOTOPPFHJTQ-AWEZNQCLSA-N 2 1 249.402 2.485 20 30 BEEDMP C=CCc1cc(C)c[nH+]c1NCC[C@@H](C)[NH3+] ZINC001170889367 972035949 /nfs/dbraw/zinc/03/59/49/972035949.db2.gz OHFAENQQLKWMHL-LLVKDONJSA-N 2 1 219.332 2.268 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+][C@@H](CC)C[NH3+])C[C@H](C1)C2 ZINC001246309739 972269877 /nfs/dbraw/zinc/26/98/77/972269877.db2.gz AAPCEWVUSTXTPM-WJLOJVBCSA-N 2 1 222.376 2.448 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237466 972417860 /nfs/dbraw/zinc/41/78/60/972417860.db2.gz KRRZASFKMVUMCT-CYBMUJFWSA-N 2 1 208.349 2.171 20 30 BEEDMP N#Cc1ccccc1C[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000311182543 960218787 /nfs/dbraw/zinc/21/87/87/960218787.db2.gz ZJLUVPHHQMELIY-ZDUSSCGKSA-N 2 1 243.354 2.119 20 30 BEEDMP N#Cc1ccccc1C[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000311182543 960218794 /nfs/dbraw/zinc/21/87/94/960218794.db2.gz ZJLUVPHHQMELIY-ZDUSSCGKSA-N 2 1 243.354 2.119 20 30 BEEDMP C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167960530 962854234 /nfs/dbraw/zinc/85/42/34/962854234.db2.gz ZXAZPPPPCQIGIW-MQVJKMGUSA-N 2 1 246.398 2.395 20 30 BEEDMP Cc1[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1CC#N ZINC001154988723 962931055 /nfs/dbraw/zinc/93/10/55/962931055.db2.gz RMXMCVZBYLJQRU-QWHCGFSZSA-N 2 1 244.342 2.138 20 30 BEEDMP C=CCC[C@H](C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000822123791 963939965 /nfs/dbraw/zinc/93/99/65/963939965.db2.gz DXAYEZGDHWWESB-QWHCGFSZSA-N 2 1 210.365 2.415 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387646 965112126 /nfs/dbraw/zinc/11/21/26/965112126.db2.gz NTVJADDMQXJWTC-CQSZACIVSA-N 2 1 246.398 2.206 20 30 BEEDMP C=C(C)CNc1ccc2c(C3C[NH2+]C3)[nH+]cn2c1 ZINC001163378233 965383043 /nfs/dbraw/zinc/38/30/43/965383043.db2.gz FWLYDJAVEIPMOE-UHFFFAOYSA-N 2 1 242.326 2.009 20 30 BEEDMP C#CC[N@@H+](CCC[NH2+]C)[C@@H]1CCc2ccccc21 ZINC001235834845 966118825 /nfs/dbraw/zinc/11/88/25/966118825.db2.gz PJMPEJWXNLIRPC-MRXNPFEDSA-N 2 1 242.366 2.219 20 30 BEEDMP C#CC[N@H+](CCC[NH2+]C)[C@@H]1CCc2ccccc21 ZINC001235834845 966118834 /nfs/dbraw/zinc/11/88/34/966118834.db2.gz PJMPEJWXNLIRPC-MRXNPFEDSA-N 2 1 242.366 2.219 20 30 BEEDMP CCCCCCC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235976949 966191058 /nfs/dbraw/zinc/19/10/58/966191058.db2.gz DLNOUTVSAILPNW-CHWSQXEVSA-N 2 1 210.365 2.380 20 30 BEEDMP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(C#N)c1 ZINC001205117532 967366758 /nfs/dbraw/zinc/36/67/58/967366758.db2.gz QINAQNPKADTXRR-OAHLLOKOSA-N 2 1 243.354 2.180 20 30 BEEDMP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(C#N)c1 ZINC001205117532 967366768 /nfs/dbraw/zinc/36/67/68/967366768.db2.gz QINAQNPKADTXRR-OAHLLOKOSA-N 2 1 243.354 2.180 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546617 967660904 /nfs/dbraw/zinc/66/09/04/967660904.db2.gz XELUPBNXIJTATK-GFCCVEGCSA-N 2 1 214.328 2.106 20 30 BEEDMP C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169079222 969396356 /nfs/dbraw/zinc/39/63/56/969396356.db2.gz KBWPFQNTCPPNPQ-ZSOGYDGISA-N 2 1 234.387 2.393 20 30 BEEDMP C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169079222 969396364 /nfs/dbraw/zinc/39/63/64/969396364.db2.gz KBWPFQNTCPPNPQ-ZSOGYDGISA-N 2 1 234.387 2.393 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001169224746 969491483 /nfs/dbraw/zinc/49/14/83/969491483.db2.gz OILHRAOSPLDQAJ-BETUJISGSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@@H+]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)CC1 ZINC001254498330 969663444 /nfs/dbraw/zinc/66/34/44/969663444.db2.gz VWKXKDBHOYTHQI-ZDUSSCGKSA-N 2 1 235.375 2.144 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH2+]CC2(C#N)CCCC2)CC1 ZINC001254498330 969663450 /nfs/dbraw/zinc/66/34/50/969663450.db2.gz VWKXKDBHOYTHQI-ZDUSSCGKSA-N 2 1 235.375 2.144 20 30 BEEDMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2csc(C#N)c2)CC1 ZINC001254509979 969679876 /nfs/dbraw/zinc/67/98/76/969679876.db2.gz KYIIHGNQSQSMPE-GFCCVEGCSA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2csc(C#N)c2)CC1 ZINC001254509979 969679889 /nfs/dbraw/zinc/67/98/89/969679889.db2.gz KYIIHGNQSQSMPE-GFCCVEGCSA-N 2 1 249.383 2.194 20 30 BEEDMP C#CC1([NH2+][C@H]2CCC[N@H+](C)CC2)CCCCC1 ZINC001254512444 969682931 /nfs/dbraw/zinc/68/29/31/969682931.db2.gz NOIBMVXRJZBAMX-AWEZNQCLSA-N 2 1 234.387 2.396 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH+]2CCC(C)(C#N)CC2)CC1 ZINC001254525871 969718436 /nfs/dbraw/zinc/71/84/36/969718436.db2.gz NRFJEIBUZPJCAS-CYBMUJFWSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@]1(C[NH3+])CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001246579924 972917889 /nfs/dbraw/zinc/91/78/89/972917889.db2.gz VGQDXJPIIDOMHF-RDBSUJKOSA-N 2 1 235.375 2.130 20 30 BEEDMP C#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC001172127436 974349229 /nfs/dbraw/zinc/34/92/29/974349229.db2.gz JLASQQQZRJNKKB-ZSHCYNCHSA-N 2 1 246.398 2.347 20 30 BEEDMP C#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC001172127436 974349241 /nfs/dbraw/zinc/34/92/41/974349241.db2.gz JLASQQQZRJNKKB-ZSHCYNCHSA-N 2 1 246.398 2.347 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001172130398 974356642 /nfs/dbraw/zinc/35/66/42/974356642.db2.gz OQRHJHLIKYETJN-YJNKXOJESA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC(C)(C)S)C2 ZINC001172112423 974372395 /nfs/dbraw/zinc/37/23/95/974372395.db2.gz WIBYRUYEDVOVGU-ZSBIGDGJSA-N 2 1 242.432 2.300 20 30 BEEDMP C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300781 974514410 /nfs/dbraw/zinc/51/44/10/974514410.db2.gz ZGYQYIQEWIORBM-OLZOCXBDSA-N 2 1 245.370 2.016 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001172499466 974851482 /nfs/dbraw/zinc/85/14/82/974851482.db2.gz XYZHKCKIQWZNTL-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001172499466 974851486 /nfs/dbraw/zinc/85/14/86/974851486.db2.gz XYZHKCKIQWZNTL-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCCC#N)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001172499466 974851489 /nfs/dbraw/zinc/85/14/89/974851489.db2.gz XYZHKCKIQWZNTL-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP Cc1c[nH+]c(CC[NH3+])n1C1CCC(CC#N)CC1 ZINC001173324994 975275470 /nfs/dbraw/zinc/27/54/70/975275470.db2.gz BKOYQKRRUZUSPV-UHFFFAOYSA-N 2 1 246.358 2.338 20 30 BEEDMP C[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173586773 975432538 /nfs/dbraw/zinc/43/25/38/975432538.db2.gz GHMYGVJGAMDJSJ-UHFFFAOYSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592087 975441025 /nfs/dbraw/zinc/44/10/25/975441025.db2.gz FLUCUUKHXWIJAC-FEWQNLEASA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592087 975441039 /nfs/dbraw/zinc/44/10/39/975441039.db2.gz FLUCUUKHXWIJAC-FEWQNLEASA-N 2 1 249.402 2.389 20 30 BEEDMP C#C[C@H]1CCC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232016382 977844895 /nfs/dbraw/zinc/84/48/95/977844895.db2.gz WOICGYSRGIACNP-LBPRGKRZSA-N 2 1 239.322 2.408 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206297242 978311778 /nfs/dbraw/zinc/31/17/78/978311778.db2.gz WWAUJKCQFCGYNX-ZDUSSCGKSA-N 2 1 210.365 2.404 20 30 BEEDMP C[N@H+]1CCC[C@]2(CCC[NH+](CCCCC#N)C2)C1 ZINC001277948572 979053474 /nfs/dbraw/zinc/05/34/74/979053474.db2.gz LFXWGWYRESSWDB-HNNXBMFYSA-N 2 1 249.402 2.488 20 30 BEEDMP C[NH+]1CCC[C@]2(CCC[N@H+](CCCCC#N)C2)C1 ZINC001277948572 979053482 /nfs/dbraw/zinc/05/34/82/979053482.db2.gz LFXWGWYRESSWDB-HNNXBMFYSA-N 2 1 249.402 2.488 20 30 BEEDMP C[NH+]1CCC[C@]2(CCC[N@@H+](CCCCC#N)C2)C1 ZINC001277948572 979053489 /nfs/dbraw/zinc/05/34/89/979053489.db2.gz LFXWGWYRESSWDB-HNNXBMFYSA-N 2 1 249.402 2.488 20 30 BEEDMP C=CCC[N@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC001235702599 979127660 /nfs/dbraw/zinc/12/76/60/979127660.db2.gz NABWQJAVKFEBQO-CYBMUJFWSA-N 2 1 218.344 2.412 20 30 BEEDMP C=CCC[N@@H+](Cc1ccccc1)C[C@@H](C)[NH3+] ZINC001235702599 979127668 /nfs/dbraw/zinc/12/76/68/979127668.db2.gz NABWQJAVKFEBQO-CYBMUJFWSA-N 2 1 218.344 2.412 20 30 BEEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235977282 979243859 /nfs/dbraw/zinc/24/38/59/979243859.db2.gz FZSQFFANZZORDU-CHWSQXEVSA-N 2 1 208.349 2.156 20 30 BEEDMP CC[C@H]([NH3+])C[N@H+](C)CCCc1ccc(C#N)cc1 ZINC001236859104 979765710 /nfs/dbraw/zinc/76/57/10/979765710.db2.gz HTULLJTUCZWZET-HNNXBMFYSA-N 2 1 245.370 2.160 20 30 BEEDMP CC[C@H]([NH3+])C[N@@H+](C)CCCc1ccc(C#N)cc1 ZINC001236859104 979765713 /nfs/dbraw/zinc/76/57/13/979765713.db2.gz HTULLJTUCZWZET-HNNXBMFYSA-N 2 1 245.370 2.160 20 30 BEEDMP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001205265263 979820706 /nfs/dbraw/zinc/82/07/06/979820706.db2.gz PFGGUIITJKQXIH-OAHLLOKOSA-N 2 1 243.354 2.262 20 30 BEEDMP C#C[C@@H]1CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238118722 980165577 /nfs/dbraw/zinc/16/55/77/980165577.db2.gz LKMICHAPJNRKND-CYBMUJFWSA-N 2 1 239.322 2.180 20 30 BEEDMP C#C[C@@H]1CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238118722 980165579 /nfs/dbraw/zinc/16/55/79/980165579.db2.gz LKMICHAPJNRKND-CYBMUJFWSA-N 2 1 239.322 2.180 20 30 BEEDMP C[N@H+](Cc1cc(C#N)cs1)CC1(C[NH3+])CCC1 ZINC001578486182 985117716 /nfs/dbraw/zinc/11/77/16/985117716.db2.gz REHMAEFQVQLCNX-UHFFFAOYSA-N 2 1 249.383 2.181 20 30 BEEDMP C[N@@H+](Cc1cc(C#N)cs1)CC1(C[NH3+])CCC1 ZINC001578486182 985117721 /nfs/dbraw/zinc/11/77/21/985117721.db2.gz REHMAEFQVQLCNX-UHFFFAOYSA-N 2 1 249.383 2.181 20 30 BEEDMP C=C1C[C@@H]2CC([NH2+][C@]34C[C@H]3C[NH2+]C4)C[C@H](C1)C2 ZINC001246136808 987495025 /nfs/dbraw/zinc/49/50/25/987495025.db2.gz WNRGPZRAIYHQDZ-YSZZHOLASA-N 2 1 232.371 2.073 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246561038 987993347 /nfs/dbraw/zinc/99/33/47/987993347.db2.gz HXDXMHXCRVQDQN-MCIONIFRSA-N 2 1 237.391 2.376 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001246561483 987997593 /nfs/dbraw/zinc/99/75/93/987997593.db2.gz TXSOKNLAHWNNQN-CHWSQXEVSA-N 2 1 241.354 2.222 20 30 BEEDMP C[C@@H]1C[N@H+](C2CCC(C#N)CC2)CCC[C@@H]1C[NH3+] ZINC001246570089 988050016 /nfs/dbraw/zinc/05/00/16/988050016.db2.gz SSPQVTJNZUJGJF-FEWQNLEASA-N 2 1 249.402 2.376 20 30 BEEDMP C[C@@H]1C[N@H+](C2CCC(C#N)CC2)CCC[C@H]1C[NH3+] ZINC001246570091 988055284 /nfs/dbraw/zinc/05/52/84/988055284.db2.gz SSPQVTJNZUJGJF-JLVJUDLZSA-N 2 1 249.402 2.376 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001246585487 988134088 /nfs/dbraw/zinc/13/40/88/988134088.db2.gz XIXYHQJOQZDKCU-OLZOCXBDSA-N 2 1 223.364 2.130 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3CCC4(C[NH2+]C4)C3)C[C@H](C1)C2 ZINC001246630381 988311593 /nfs/dbraw/zinc/31/15/93/988311593.db2.gz JQVKLQRKHVODDF-YIONKMFJSA-N 2 1 246.398 2.417 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4C[NH2+][C@H]4C3)C[C@H](C1)C2 ZINC001246645926 988366830 /nfs/dbraw/zinc/36/68/30/988366830.db2.gz DUESANKSXFSFRI-MCAJLIOHSA-N 2 1 246.398 2.415 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CC[NH2+][C@@H]4C3)C[C@H](C1)C2 ZINC001246653062 988380430 /nfs/dbraw/zinc/38/04/30/988380430.db2.gz QLFVCTZMYGTDKV-YSEJDXQZSA-N 2 1 246.398 2.415 20 30 BEEDMP N#CC1CCC([N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246930536 988761110 /nfs/dbraw/zinc/76/11/10/988761110.db2.gz JWHGVYDKJKIZTM-HFDVOGEKSA-N 2 1 247.386 2.000 20 30 BEEDMP CC[C@H]([NH3+])C[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001246973094 988806605 /nfs/dbraw/zinc/80/66/05/988806605.db2.gz HLEOENWLSFZUNF-WFASDCNBSA-N 2 1 245.370 2.158 20 30 BEEDMP CC[C@H]([NH3+])C[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001246973094 988806617 /nfs/dbraw/zinc/80/66/17/988806617.db2.gz HLEOENWLSFZUNF-WFASDCNBSA-N 2 1 245.370 2.158 20 30 BEEDMP C#CC[C@@H]1CCC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001308831286 991160463 /nfs/dbraw/zinc/16/04/63/991160463.db2.gz AIEOZGUDJBSWAC-OAHLLOKOSA-N 2 1 248.414 2.454 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001258725945 991667382 /nfs/dbraw/zinc/66/73/82/991667382.db2.gz CHSCQZDNVHJWQY-MJBXVCDLSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001258725945 991667388 /nfs/dbraw/zinc/66/73/88/991667388.db2.gz CHSCQZDNVHJWQY-MJBXVCDLSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001258725945 991667395 /nfs/dbraw/zinc/66/73/95/991667395.db2.gz CHSCQZDNVHJWQY-MJBXVCDLSA-N 2 1 222.376 2.225 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001574907433 992940139 /nfs/dbraw/zinc/94/01/39/992940139.db2.gz LXAZRKZTMCDWTQ-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001574907433 992940153 /nfs/dbraw/zinc/94/01/53/992940153.db2.gz LXAZRKZTMCDWTQ-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001574900100 992940533 /nfs/dbraw/zinc/94/05/33/992940533.db2.gz PSWPZDVSDKIFCT-AVGNSLFASA-N 2 1 208.349 2.073 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414174057 398218859 /nfs/dbraw/zinc/21/88/59/398218859.db2.gz XSNDRJIXIYIRGG-FRRDWIJNSA-N 2 1 237.391 2.245 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000602487092 349569081 /nfs/dbraw/zinc/56/90/81/349569081.db2.gz SWHWFOFGMOYGLA-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000602487092 349569085 /nfs/dbraw/zinc/56/90/85/349569085.db2.gz SWHWFOFGMOYGLA-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@H](CCC#N)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000602487092 349569087 /nfs/dbraw/zinc/56/90/87/349569087.db2.gz SWHWFOFGMOYGLA-QLFBSQMISA-N 2 1 249.402 2.342 20 30 BEEDMP N#CC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000602515698 349572840 /nfs/dbraw/zinc/57/28/40/349572840.db2.gz BODWWCGJZUJERT-WUCCLRPBSA-N 2 1 247.386 2.285 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000602513745 349586149 /nfs/dbraw/zinc/58/61/49/349586149.db2.gz HZUBSLOPYBZKFL-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP C[C@H](CCC#N)C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000602513745 349586152 /nfs/dbraw/zinc/58/61/52/349586152.db2.gz HZUBSLOPYBZKFL-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP N#CC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000602514579 349586838 /nfs/dbraw/zinc/58/68/38/349586838.db2.gz NXLLOALMNJPUBU-WUCCLRPBSA-N 2 1 247.386 2.285 20 30 BEEDMP N#CC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000602514579 349586840 /nfs/dbraw/zinc/58/68/40/349586840.db2.gz NXLLOALMNJPUBU-WUCCLRPBSA-N 2 1 247.386 2.285 20 30 BEEDMP C[C@H](CCC#N)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000602638260 349652415 /nfs/dbraw/zinc/65/24/15/349652415.db2.gz OTFVQVHRENEXRN-KGLIPLIRSA-N 2 1 237.391 2.342 20 30 BEEDMP C[C@@H](CCC#N)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000602626783 349663567 /nfs/dbraw/zinc/66/35/67/349663567.db2.gz PSSBYVCWTSLINA-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)CCCn1ccnc1 ZINC000602662307 349681859 /nfs/dbraw/zinc/68/18/59/349681859.db2.gz KOWMVTVJXPVERT-CYBMUJFWSA-N 2 1 234.347 2.145 20 30 BEEDMP C[C@@H](CCC#N)C[N@@H+](C)CCCn1ccnc1 ZINC000602662308 349682331 /nfs/dbraw/zinc/68/23/31/349682331.db2.gz KOWMVTVJXPVERT-ZDUSSCGKSA-N 2 1 234.347 2.145 20 30 BEEDMP C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000602722533 349713143 /nfs/dbraw/zinc/71/31/43/349713143.db2.gz GDIGGSPNCZJBTL-KBPBESRZSA-N 2 1 237.391 2.248 20 30 BEEDMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602725413 349714740 /nfs/dbraw/zinc/71/47/40/349714740.db2.gz ZPNMUOQJTWKAQH-SLTAFYQDSA-N 2 1 249.402 2.390 20 30 BEEDMP C[N@H+](CCC[NH+]1CCCC1)CC1(CC#N)CC1 ZINC000602825865 349765355 /nfs/dbraw/zinc/76/53/55/349765355.db2.gz LEFWZGVOWOBHKN-UHFFFAOYSA-N 2 1 235.375 2.098 20 30 BEEDMP C[N@@H+](CCC[NH+]1CCCC1)CC1(CC#N)CC1 ZINC000602825865 349765357 /nfs/dbraw/zinc/76/53/57/349765357.db2.gz LEFWZGVOWOBHKN-UHFFFAOYSA-N 2 1 235.375 2.098 20 30 BEEDMP CN(CC[C@@H]1CCCC[N@H+]1C)CC1(CC#N)CC1 ZINC000602782352 349747610 /nfs/dbraw/zinc/74/76/10/349747610.db2.gz MHIOVSYTWKRWDH-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC1(CC#N)CC1 ZINC000602782352 349747611 /nfs/dbraw/zinc/74/76/11/349747611.db2.gz MHIOVSYTWKRWDH-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(CC#N)CC1 ZINC000602782352 349747613 /nfs/dbraw/zinc/74/76/13/349747613.db2.gz MHIOVSYTWKRWDH-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(CC#N)CC1 ZINC000602782352 349747614 /nfs/dbraw/zinc/74/76/14/349747614.db2.gz MHIOVSYTWKRWDH-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(CC#N)CC1 ZINC000602782352 349747616 /nfs/dbraw/zinc/74/76/16/349747616.db2.gz MHIOVSYTWKRWDH-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C[NH+]1CCC2(CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000602877706 349790220 /nfs/dbraw/zinc/79/02/20/349790220.db2.gz KMRUJNOXXAQXOU-KGLIPLIRSA-N 2 1 247.386 2.096 20 30 BEEDMP CCC1([NH+](C)C)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000602966835 349827262 /nfs/dbraw/zinc/82/72/62/349827262.db2.gz SJDOXCNSPSJWNP-ZDUSSCGKSA-N 2 1 237.391 2.485 20 30 BEEDMP CCC1([NH+](C)C)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000602966866 349827834 /nfs/dbraw/zinc/82/78/34/349827834.db2.gz UERDGQGIIGMLFV-ZIAGYGMSSA-N 2 1 249.402 2.485 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602979172 349843304 /nfs/dbraw/zinc/84/33/04/349843304.db2.gz AQOJEBKFWBSWAD-KGLIPLIRSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602979172 349843308 /nfs/dbraw/zinc/84/33/08/349843308.db2.gz AQOJEBKFWBSWAD-KGLIPLIRSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602979174 349843370 /nfs/dbraw/zinc/84/33/70/349843370.db2.gz AQOJEBKFWBSWAD-ZIAGYGMSSA-N 2 1 246.358 2.206 20 30 BEEDMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602979174 349843374 /nfs/dbraw/zinc/84/33/74/349843374.db2.gz AQOJEBKFWBSWAD-ZIAGYGMSSA-N 2 1 246.358 2.206 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000126851279 344184704 /nfs/dbraw/zinc/18/47/04/344184704.db2.gz WGXGNVMRUGHCRY-XQQFMLRXSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000126851279 344184705 /nfs/dbraw/zinc/18/47/05/344184705.db2.gz WGXGNVMRUGHCRY-XQQFMLRXSA-N 2 1 210.365 2.413 20 30 BEEDMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C#N ZINC000119725728 344527903 /nfs/dbraw/zinc/52/79/03/344527903.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(C)(C)C#N ZINC000119725728 344527906 /nfs/dbraw/zinc/52/79/06/344527906.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(C)(C)C#N ZINC000119725728 344527910 /nfs/dbraw/zinc/52/79/10/344527910.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 2 1 249.402 2.485 20 30 BEEDMP C[N@@H+](CCCCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375761558 346561699 /nfs/dbraw/zinc/56/16/99/346561699.db2.gz HYDCFXWCOMIRIH-PBWFPOADSA-N 2 1 235.375 2.237 20 30 BEEDMP C[NH+](CCCCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375761558 346561702 /nfs/dbraw/zinc/56/17/02/346561702.db2.gz HYDCFXWCOMIRIH-PBWFPOADSA-N 2 1 235.375 2.237 20 30 BEEDMP C[NH+](CCCCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375761558 346561707 /nfs/dbraw/zinc/56/17/07/346561707.db2.gz HYDCFXWCOMIRIH-PBWFPOADSA-N 2 1 235.375 2.237 20 30 BEEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000593646922 347926088 /nfs/dbraw/zinc/92/60/88/347926088.db2.gz UDBRZFQRUDHQLO-KBPBESRZSA-N 2 1 237.391 2.246 20 30 BEEDMP C[C@]1(C#N)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000595905549 348396078 /nfs/dbraw/zinc/39/60/78/348396078.db2.gz VECKYOQTSSTSGE-CQSZACIVSA-N 2 1 235.375 2.002 20 30 BEEDMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(C#N)cc1 ZINC000596648253 348604305 /nfs/dbraw/zinc/60/43/05/348604305.db2.gz NHHKDUIIQRRGHK-GFCCVEGCSA-N 2 1 243.354 2.480 20 30 BEEDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000596650387 348605903 /nfs/dbraw/zinc/60/59/03/348605903.db2.gz HTLJYMFDYOPYSR-VXGBXAGGSA-N 2 1 223.364 2.176 20 30 BEEDMP C=CCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000336665333 350426958 /nfs/dbraw/zinc/42/69/58/350426958.db2.gz HAFIYCAMFQJQOE-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP C=CCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000336665333 350426960 /nfs/dbraw/zinc/42/69/60/350426960.db2.gz HAFIYCAMFQJQOE-UHFFFAOYSA-N 2 1 221.348 2.480 20 30 BEEDMP CC#CCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000336703823 350454498 /nfs/dbraw/zinc/45/44/98/350454498.db2.gz QHCWGFPXTZSBTI-UONOGXRCSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336703823 350454502 /nfs/dbraw/zinc/45/45/02/350454502.db2.gz QHCWGFPXTZSBTI-UONOGXRCSA-N 2 1 222.376 2.204 20 30 BEEDMP CC#CCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336703823 350454504 /nfs/dbraw/zinc/45/45/04/350454504.db2.gz QHCWGFPXTZSBTI-UONOGXRCSA-N 2 1 222.376 2.204 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000389904602 351052407 /nfs/dbraw/zinc/05/24/07/351052407.db2.gz GHLSNODUQJQJPU-CYBMUJFWSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000389904602 351052410 /nfs/dbraw/zinc/05/24/10/351052410.db2.gz GHLSNODUQJQJPU-CYBMUJFWSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000389904603 351052432 /nfs/dbraw/zinc/05/24/32/351052432.db2.gz GHLSNODUQJQJPU-ZDUSSCGKSA-N 2 1 210.365 2.415 20 30 BEEDMP C=CCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000389904603 351052434 /nfs/dbraw/zinc/05/24/34/351052434.db2.gz GHLSNODUQJQJPU-ZDUSSCGKSA-N 2 1 210.365 2.415 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411300910 191175571 /nfs/dbraw/zinc/17/55/71/191175571.db2.gz RAVYIEHOCWGFOA-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000411300910 191175574 /nfs/dbraw/zinc/17/55/74/191175574.db2.gz RAVYIEHOCWGFOA-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000343924188 354043955 /nfs/dbraw/zinc/04/39/55/354043955.db2.gz HDFWANIVLHUQSO-IHRRRGAJSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000343924188 354043958 /nfs/dbraw/zinc/04/39/58/354043958.db2.gz HDFWANIVLHUQSO-IHRRRGAJSA-N 2 1 237.391 2.389 20 30 BEEDMP C[NH+]1CCC2(CCC[N@@H+](CCCC#N)C2)CC1 ZINC000366865381 354253608 /nfs/dbraw/zinc/25/36/08/354253608.db2.gz CFGVDUDRMYFYJN-UHFFFAOYSA-N 2 1 235.375 2.098 20 30 BEEDMP C=CCOc1ccccc1C[NH+]1CCC([NH3+])CC1 ZINC000346654016 355002882 /nfs/dbraw/zinc/00/28/82/355002882.db2.gz QZVGXDQGDCXAPK-UHFFFAOYSA-N 2 1 246.354 2.175 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1C ZINC000336170437 134114909 /nfs/dbraw/zinc/11/49/09/134114909.db2.gz BREJOAOMZYKZRK-XSCHDIRWSA-N 2 1 249.402 2.389 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000169012183 134248877 /nfs/dbraw/zinc/24/88/77/134248877.db2.gz AKJNZNIZLQLRKA-CHWSQXEVSA-N 2 1 208.349 2.169 20 30 BEEDMP C=C(C)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640018295 358080778 /nfs/dbraw/zinc/08/07/78/358080778.db2.gz SVYRIMYVZAYPMH-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248887239 358124171 /nfs/dbraw/zinc/12/41/71/358124171.db2.gz MNFWUIXPJCTNMD-MCIONIFRSA-N 2 1 235.375 2.000 20 30 BEEDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248887241 358124287 /nfs/dbraw/zinc/12/42/87/358124287.db2.gz MNFWUIXPJCTNMD-MGPQQGTHSA-N 2 1 235.375 2.000 20 30 BEEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000126756814 358554567 /nfs/dbraw/zinc/55/45/67/358554567.db2.gz UPIJNBRBWPVKLB-STQMWFEESA-N 2 1 222.376 2.415 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CC[N@H+]1C ZINC000135200548 358826560 /nfs/dbraw/zinc/82/65/60/358826560.db2.gz HOTYKSWYQRMVLL-CHWSQXEVSA-N 2 1 237.391 2.389 20 30 BEEDMP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423455846 192776775 /nfs/dbraw/zinc/77/67/75/192776775.db2.gz DAHVGSQIZJGWEA-ZIAGYGMSSA-N 2 1 231.343 2.336 20 30 BEEDMP C=CCCOCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623474164 360406453 /nfs/dbraw/zinc/40/64/53/360406453.db2.gz SXMTZIYRMFZTHH-CYBMUJFWSA-N 2 1 240.391 2.042 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629397795 361047525 /nfs/dbraw/zinc/04/75/25/361047525.db2.gz ZXSZECBEBVPKPZ-CYDGBPFRSA-N 2 1 210.365 2.317 20 30 BEEDMP C[N@@H+](CCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920849 366779339 /nfs/dbraw/zinc/77/93/39/366779339.db2.gz BSEMXADPYVNEAS-PBWFPOADSA-N 2 1 249.402 2.483 20 30 BEEDMP C[NH+](CCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352920849 366779344 /nfs/dbraw/zinc/77/93/44/366779344.db2.gz BSEMXADPYVNEAS-PBWFPOADSA-N 2 1 249.402 2.483 20 30 BEEDMP C[NH+](CCC(C)(C)C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352920849 366779350 /nfs/dbraw/zinc/77/93/50/366779350.db2.gz BSEMXADPYVNEAS-PBWFPOADSA-N 2 1 249.402 2.483 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000629547126 361430684 /nfs/dbraw/zinc/43/06/84/361430684.db2.gz FEDAMKGPGWCYTA-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561550 361456106 /nfs/dbraw/zinc/45/61/06/361456106.db2.gz JGMIELGFCPNRAT-VHSXEESVSA-N 2 1 236.281 2.022 20 30 BEEDMP C=CC[N@@H+](CCC[NH2+]C)Cc1ccc(OC)cc1 ZINC000435878305 201292975 /nfs/dbraw/zinc/29/29/75/201292975.db2.gz BEECUZBQFFYUCX-UHFFFAOYSA-N 2 1 248.370 2.293 20 30 BEEDMP C=CC[N@H+](CCC[NH2+]C)Cc1ccc(OC)cc1 ZINC000435878305 201292979 /nfs/dbraw/zinc/29/29/79/201292979.db2.gz BEECUZBQFFYUCX-UHFFFAOYSA-N 2 1 248.370 2.293 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000295110849 364779094 /nfs/dbraw/zinc/77/90/94/364779094.db2.gz XICYKXWOODPZGF-AWEZNQCLSA-N 2 1 230.355 2.292 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000295110849 364779100 /nfs/dbraw/zinc/77/91/00/364779100.db2.gz XICYKXWOODPZGF-AWEZNQCLSA-N 2 1 230.355 2.292 20 30 BEEDMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CCC#N)CC1 ZINC000579837666 367041176 /nfs/dbraw/zinc/04/11/76/367041176.db2.gz LSLZDSHRMJJFEA-AWEZNQCLSA-N 2 1 237.391 2.376 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000384861282 367746259 /nfs/dbraw/zinc/74/62/59/367746259.db2.gz OINYHJVVKIWXLZ-RYUDHWBXSA-N 2 1 210.365 2.128 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000384861283 367746583 /nfs/dbraw/zinc/74/65/83/367746583.db2.gz OINYHJVVKIWXLZ-VXGBXAGGSA-N 2 1 210.365 2.128 20 30 BEEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000385505464 367839007 /nfs/dbraw/zinc/83/90/07/367839007.db2.gz QVFHAEJJVYDHOM-NWDGAFQWSA-N 2 1 210.365 2.271 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000618887759 369235395 /nfs/dbraw/zinc/23/53/95/369235395.db2.gz HMKDYTCSAOHOIA-MCIONIFRSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000618887759 369235402 /nfs/dbraw/zinc/23/54/02/369235402.db2.gz HMKDYTCSAOHOIA-MCIONIFRSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000618887759 369235406 /nfs/dbraw/zinc/23/54/06/369235406.db2.gz HMKDYTCSAOHOIA-MCIONIFRSA-N 2 1 237.391 2.341 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000618887759 369235408 /nfs/dbraw/zinc/23/54/08/369235408.db2.gz HMKDYTCSAOHOIA-MCIONIFRSA-N 2 1 237.391 2.341 20 30 BEEDMP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1C#N ZINC000600705938 369559905 /nfs/dbraw/zinc/55/99/05/369559905.db2.gz BRQVHRFHDAZOIW-OCCSQVGLSA-N 2 1 243.354 2.036 20 30 BEEDMP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1C#N ZINC000600705598 369559941 /nfs/dbraw/zinc/55/99/41/369559941.db2.gz SGYYRXYWZGDZKU-UHFFFAOYSA-N 2 1 245.370 2.283 20 30 BEEDMP C=CCCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000568248724 326334767 /nfs/dbraw/zinc/33/47/67/326334767.db2.gz YRSLAEGGJHWARO-OLZOCXBDSA-N 2 1 210.365 2.320 20 30 BEEDMP C=C(C)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000174771168 206006662 /nfs/dbraw/zinc/00/66/62/206006662.db2.gz SGPOVKOWUNAVEM-CHWSQXEVSA-N 2 1 210.365 2.225 20 30 BEEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000353971453 169196409 /nfs/dbraw/zinc/19/64/09/169196409.db2.gz JZYKYHKBNFSZBN-BFHYXJOUSA-N 2 1 235.375 2.143 20 30 BEEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000353971453 169196410 /nfs/dbraw/zinc/19/64/10/169196410.db2.gz JZYKYHKBNFSZBN-BFHYXJOUSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185810508 134390777 /nfs/dbraw/zinc/39/07/77/134390777.db2.gz GMCGZXAMTSWNKG-HZSPNIEDSA-N 2 1 237.391 2.389 20 30 BEEDMP C[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135180193 384169940 /nfs/dbraw/zinc/16/99/40/384169940.db2.gz KRQBSUNYPCGZFC-ZDUSSCGKSA-N 2 1 237.391 2.248 20 30 BEEDMP C#CC[N@@H+](CCCn1cc[nH+]c1C)C1CCCC1 ZINC000490893069 384472595 /nfs/dbraw/zinc/47/25/95/384472595.db2.gz RKROPNDGNIBKBX-UHFFFAOYSA-N 2 1 245.370 2.459 20 30 BEEDMP C#CC[N@H+](CCCn1cc[nH+]c1C)C1CCCC1 ZINC000490893069 384472601 /nfs/dbraw/zinc/47/26/01/384472601.db2.gz RKROPNDGNIBKBX-UHFFFAOYSA-N 2 1 245.370 2.459 20 30 BEEDMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423280323 384532182 /nfs/dbraw/zinc/53/21/82/384532182.db2.gz UMLYMJOYIMLKSD-WDEREUQCSA-N 2 1 249.333 2.203 20 30 BEEDMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000423280320 384532516 /nfs/dbraw/zinc/53/25/16/384532516.db2.gz UMLYMJOYIMLKSD-GHMZBOCLSA-N 2 1 249.333 2.203 20 30 BEEDMP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000564335546 385528311 /nfs/dbraw/zinc/52/83/11/385528311.db2.gz OLCSUWGSBVVZAB-AWEZNQCLSA-N 2 1 231.343 2.165 20 30 BEEDMP C=CCOc1ccccc1C[NH2+]C[C@@H](C)C[NH2+]C ZINC000414850248 385632391 /nfs/dbraw/zinc/63/23/91/385632391.db2.gz ZDGBOTOHKODGTJ-ZDUSSCGKSA-N 2 1 248.370 2.197 20 30 BEEDMP C=CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718811 385735912 /nfs/dbraw/zinc/73/59/12/385735912.db2.gz SLMOIIBFSAPCCS-OLZOCXBDSA-N 2 1 222.376 2.415 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000394726742 385917566 /nfs/dbraw/zinc/91/75/66/385917566.db2.gz ITQCDLYOKVRGBB-AWEZNQCLSA-N 2 1 234.387 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC12CCC2 ZINC000394726742 385917572 /nfs/dbraw/zinc/91/75/72/385917572.db2.gz ITQCDLYOKVRGBB-AWEZNQCLSA-N 2 1 234.387 2.254 20 30 BEEDMP C=CC[N@@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647872580 386138637 /nfs/dbraw/zinc/13/86/37/386138637.db2.gz BXVWQMZJIJBOIX-GFCCVEGCSA-N 2 1 236.384 2.346 20 30 BEEDMP C=CC[N@H+](Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647872580 386138644 /nfs/dbraw/zinc/13/86/44/386138644.db2.gz BXVWQMZJIJBOIX-GFCCVEGCSA-N 2 1 236.384 2.346 20 30 BEEDMP C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647882084 386217264 /nfs/dbraw/zinc/21/72/64/386217264.db2.gz IJPFLXKGYQTHHA-MRXNPFEDSA-N 2 1 244.382 2.327 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000347114840 386230846 /nfs/dbraw/zinc/23/08/46/386230846.db2.gz AWUPTVICZNHNSP-CYBMUJFWSA-N 2 1 237.391 2.342 20 30 BEEDMP C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347230813 386271867 /nfs/dbraw/zinc/27/18/67/386271867.db2.gz XVRXMAIRWTZDDC-ZDUSSCGKSA-N 2 1 246.354 2.032 20 30 BEEDMP C=C(C)CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453307728 386390474 /nfs/dbraw/zinc/39/04/74/386390474.db2.gz CASQIBGKNLPKKM-MCIONIFRSA-N 2 1 222.376 2.415 20 30 BEEDMP C=CCOc1ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000415009050 386402666 /nfs/dbraw/zinc/40/26/66/386402666.db2.gz NRHMBXLBRGSYTL-NWDGAFQWSA-N 2 1 234.343 2.077 20 30 BEEDMP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000185710906 386632146 /nfs/dbraw/zinc/63/21/46/386632146.db2.gz QIKNTSCQQHRWOM-TZMCWYRMSA-N 2 1 247.386 2.285 20 30 BEEDMP C=CCOc1cccc(C[NH2+]C[C@@H]([NH3+])C(C)C)c1 ZINC000414803388 386600709 /nfs/dbraw/zinc/60/07/09/386600709.db2.gz WQTXKQMPUCTHFR-OAHLLOKOSA-N 2 1 248.370 2.324 20 30 BEEDMP C=CCOc1cccc(C[NH2+]C[C@H]([NH3+])C(C)C)c1 ZINC000414803386 386600772 /nfs/dbraw/zinc/60/07/72/386600772.db2.gz WQTXKQMPUCTHFR-HNNXBMFYSA-N 2 1 248.370 2.324 20 30 BEEDMP CCC[N@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192925393 386797948 /nfs/dbraw/zinc/79/79/48/386797948.db2.gz PEEOTMZFTIAIFQ-UONOGXRCSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC[N@@H+](CC)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192925393 386797954 /nfs/dbraw/zinc/79/79/54/386797954.db2.gz PEEOTMZFTIAIFQ-UONOGXRCSA-N 2 1 237.391 2.390 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187055 386849665 /nfs/dbraw/zinc/84/96/65/386849665.db2.gz WVKJHXFTTAUMKB-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187055 386849670 /nfs/dbraw/zinc/84/96/70/386849670.db2.gz WVKJHXFTTAUMKB-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645187055 386849673 /nfs/dbraw/zinc/84/96/73/386849673.db2.gz WVKJHXFTTAUMKB-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645187055 386849678 /nfs/dbraw/zinc/84/96/78/386849678.db2.gz WVKJHXFTTAUMKB-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C[NH+](CC#CC[N@@H+](C)CCC1CC1)CCC1CC1 ZINC000341924856 386992702 /nfs/dbraw/zinc/99/27/02/386992702.db2.gz RPCCFNNCDRXKPJ-UHFFFAOYSA-N 2 1 248.414 2.454 20 30 BEEDMP C=CC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230025369 387228683 /nfs/dbraw/zinc/22/86/83/387228683.db2.gz XJCJYGKRVGOGRD-UHFFFAOYSA-N 2 1 204.317 2.023 20 30 BEEDMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C#N)CC1 ZINC000230202027 387247471 /nfs/dbraw/zinc/24/74/71/387247471.db2.gz LDRLDLNDEWLSLD-CQSZACIVSA-N 2 1 235.375 2.096 20 30 BEEDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C#N)CC1 ZINC000230202027 387247475 /nfs/dbraw/zinc/24/74/75/387247475.db2.gz LDRLDLNDEWLSLD-CQSZACIVSA-N 2 1 235.375 2.096 20 30 BEEDMP C#CC[N@@H+](CCC[NH+]1CCCC1)C1CCCC1 ZINC000162242972 387335259 /nfs/dbraw/zinc/33/52/59/387335259.db2.gz PAGJMYGHQUHRFC-UHFFFAOYSA-N 2 1 234.387 2.350 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423503979 387342553 /nfs/dbraw/zinc/34/25/53/387342553.db2.gz NGFJVHHNRQIVRN-XBFCOCLRSA-N 2 1 235.375 2.176 20 30 BEEDMP C=C(C)C[N@H+](CC)CCn1cc[nH+]c1C ZINC000270654108 387435141 /nfs/dbraw/zinc/43/51/41/387435141.db2.gz MRHUKDNZZBHCLR-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=C(C)C[N@@H+](CC)CCn1cc[nH+]c1C ZINC000270654108 387435147 /nfs/dbraw/zinc/43/51/47/387435147.db2.gz MRHUKDNZZBHCLR-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=CCC[C@H]([NH2+]CC[NH2+]C1CC1)C1CC1 ZINC000643507242 387475248 /nfs/dbraw/zinc/47/52/48/387475248.db2.gz WZTSJNVJHBYUET-ZDUSSCGKSA-N 2 1 208.349 2.073 20 30 BEEDMP C=CCCCC[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507689 387480571 /nfs/dbraw/zinc/48/05/71/387480571.db2.gz MSJQPUTWNJTZPR-LBPRGKRZSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+](C)CC1 ZINC000527738825 387704755 /nfs/dbraw/zinc/70/47/55/387704755.db2.gz XMGSJVXGIRYPTH-UHFFFAOYSA-N 2 1 210.365 2.273 20 30 BEEDMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000442634959 387809673 /nfs/dbraw/zinc/80/96/73/387809673.db2.gz ICUGZIALGNDVSI-CHWSQXEVSA-N 2 1 235.375 2.143 20 30 BEEDMP CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000442714874 387828965 /nfs/dbraw/zinc/82/89/65/387828965.db2.gz LVIWWDGXTQISRS-MGPQQGTHSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+](CCN[C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442782672 387838636 /nfs/dbraw/zinc/83/86/36/387838636.db2.gz LUIHGNUWRWKKAU-QWHCGFSZSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442782672 387838646 /nfs/dbraw/zinc/83/86/46/387838646.db2.gz LUIHGNUWRWKKAU-QWHCGFSZSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@@H+](CC[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000442782672 387838649 /nfs/dbraw/zinc/83/86/49/387838649.db2.gz LUIHGNUWRWKKAU-QWHCGFSZSA-N 2 1 235.375 2.143 20 30 BEEDMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442796869 387841831 /nfs/dbraw/zinc/84/18/31/387841831.db2.gz WHNRGKFYRSQLBQ-KGLIPLIRSA-N 2 1 246.358 2.254 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000328065966 387847074 /nfs/dbraw/zinc/84/70/74/387847074.db2.gz COOTUUOUBHKODL-ZIAGYGMSSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000328065966 387847079 /nfs/dbraw/zinc/84/70/79/387847079.db2.gz COOTUUOUBHKODL-ZIAGYGMSSA-N 2 1 222.376 2.110 20 30 BEEDMP C[C@@H]([NH2+]CC(C)(C)CC#N)c1c[nH+]ccc1N ZINC000423170481 387958168 /nfs/dbraw/zinc/95/81/68/387958168.db2.gz MEACXMVABMZHFP-SNVBAGLBSA-N 2 1 232.331 2.085 20 30 BEEDMP C=CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C1CC1 ZINC000423192937 387977307 /nfs/dbraw/zinc/97/73/07/387977307.db2.gz QIODBAYCVPYMDL-CHWSQXEVSA-N 2 1 208.349 2.073 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCC[C@@H]21 ZINC000424335542 387978197 /nfs/dbraw/zinc/97/81/97/387978197.db2.gz WWTVIOWMCXXKFJ-QRTUWBSPSA-N 2 1 247.386 2.141 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420398665 387996507 /nfs/dbraw/zinc/99/65/07/387996507.db2.gz NOJDHRBUIXSHGS-OLZOCXBDSA-N 2 1 208.349 2.027 20 30 BEEDMP C#C[C@H]([NH2+]C1CC[NH+](CC)CC1)C(C)(C)C ZINC000393785473 388441841 /nfs/dbraw/zinc/44/18/41/388441841.db2.gz XHDNHQCICDORRB-ZDUSSCGKSA-N 2 1 222.376 2.108 20 30 BEEDMP C[N@@H+]1CC=C(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000345164982 388511383 /nfs/dbraw/zinc/51/13/83/388511383.db2.gz MKJRQLISLTUUCI-UHFFFAOYSA-N 2 1 235.375 2.168 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246488836 388639463 /nfs/dbraw/zinc/63/94/63/388639463.db2.gz RUOCIDQGACYFNZ-ZDEQEGDKSA-N 2 1 210.365 2.269 20 30 BEEDMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000019905736 388750736 /nfs/dbraw/zinc/75/07/36/388750736.db2.gz ZRDBNOLGPNMXDK-UHFFFAOYSA-N 2 1 245.370 2.236 20 30 BEEDMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423269805 388689512 /nfs/dbraw/zinc/68/95/12/388689512.db2.gz HQAFCOGSSFCGTR-RISCZKNCSA-N 2 1 231.343 2.192 20 30 BEEDMP C[C@@H](C[NH3+])[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000423363819 388691312 /nfs/dbraw/zinc/69/13/12/388691312.db2.gz BWRLXCCTHSBERQ-NHYWBVRUSA-N 2 1 243.354 2.263 20 30 BEEDMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)c(F)c1 ZINC000423325174 388691695 /nfs/dbraw/zinc/69/16/95/388691695.db2.gz LEQTXVROBGPTPR-SNVBAGLBSA-N 2 1 247.317 2.229 20 30 BEEDMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000424377283 533519451 /nfs/dbraw/zinc/51/94/51/533519451.db2.gz QXYSBACEUXDMRC-KCPJHIHWSA-N 2 1 243.354 2.479 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccncc2)CC1 ZINC000106245948 133959387 /nfs/dbraw/zinc/95/93/87/133959387.db2.gz AGNKMKCTGJSUAC-UHFFFAOYSA-N 2 1 245.370 2.212 20 30 BEEDMP C=C(C)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000352403821 134143364 /nfs/dbraw/zinc/14/33/64/134143364.db2.gz YIJMZDJZFIGIAE-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185810508 134390775 /nfs/dbraw/zinc/39/07/75/134390775.db2.gz GMCGZXAMTSWNKG-HZSPNIEDSA-N 2 1 237.391 2.389 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339124629 135060239 /nfs/dbraw/zinc/06/02/39/135060239.db2.gz JJMDPNHFKWTGDY-MJBXVCDLSA-N 2 1 235.375 2.095 20 30 BEEDMP C[NH+](C)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000087608499 135159269 /nfs/dbraw/zinc/15/92/69/135159269.db2.gz QMNFDOSOTNATQV-UHFFFAOYSA-N 2 1 237.391 2.342 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000295066379 135378541 /nfs/dbraw/zinc/37/85/41/135378541.db2.gz RPTFQYURIOPUDC-CYBMUJFWSA-N 2 1 248.345 2.431 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000295066379 135378542 /nfs/dbraw/zinc/37/85/42/135378542.db2.gz RPTFQYURIOPUDC-CYBMUJFWSA-N 2 1 248.345 2.431 20 30 BEEDMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000335567927 136108402 /nfs/dbraw/zinc/10/84/02/136108402.db2.gz IMFPXCPOFLEJTQ-SNVBAGLBSA-N 2 1 247.317 2.100 20 30 BEEDMP C=CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000245420005 398115694 /nfs/dbraw/zinc/11/56/94/398115694.db2.gz BGOIXJIUJGZAMS-OLZOCXBDSA-N 2 1 208.349 2.120 20 30 BEEDMP C#CCCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000271195095 166129985 /nfs/dbraw/zinc/12/99/85/166129985.db2.gz DGFCPAHDUNXTLQ-UONOGXRCSA-N 2 1 231.343 2.179 20 30 BEEDMP C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000308941085 409963108 /nfs/dbraw/zinc/96/31/08/409963108.db2.gz UWNQMNYOUYWZGX-STQMWFEESA-N 2 1 208.349 2.013 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](C[C@@]2(C)CC[NH2+]C2)C1 ZINC000656787629 411365555 /nfs/dbraw/zinc/36/55/55/411365555.db2.gz PQJNDVBLQGXYHX-KBPBESRZSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[NH+]1CCC([NH2+]CC2(C)CC2)CC1 ZINC000309142398 323320079 /nfs/dbraw/zinc/32/00/79/323320079.db2.gz UCJXSPLSZCNAFA-UHFFFAOYSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076001924 325325598 /nfs/dbraw/zinc/32/55/98/325325598.db2.gz OOPURPSPXILEEB-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000677479515 488106304 /nfs/dbraw/zinc/10/63/04/488106304.db2.gz NWFCIMBXFXZTOU-HUUCEWRRSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000677479515 488106309 /nfs/dbraw/zinc/10/63/09/488106309.db2.gz NWFCIMBXFXZTOU-HUUCEWRRSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677479515 488106314 /nfs/dbraw/zinc/10/63/14/488106314.db2.gz NWFCIMBXFXZTOU-HUUCEWRRSA-N 2 1 236.403 2.452 20 30 BEEDMP CCC#C[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000677479515 488106320 /nfs/dbraw/zinc/10/63/20/488106320.db2.gz NWFCIMBXFXZTOU-HUUCEWRRSA-N 2 1 236.403 2.452 20 30 BEEDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335516791 490394627 /nfs/dbraw/zinc/39/46/27/490394627.db2.gz UQGRXOGMJHCCBU-RJZJGCCBSA-N 2 1 235.375 2.046 20 30 BEEDMP C=C[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261548664 534557977 /nfs/dbraw/zinc/55/79/77/534557977.db2.gz NUJCWCCAHBXTTD-CYBMUJFWSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCC[N@H+](C)CCC1CC[NH2+]CC1 ZINC000220275648 534706694 /nfs/dbraw/zinc/70/66/94/534706694.db2.gz IFSRHNSAZQDZJD-UHFFFAOYSA-N 2 1 210.365 2.274 20 30 BEEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357737700 534713155 /nfs/dbraw/zinc/71/31/55/534713155.db2.gz FMZIFDCCAZMYCL-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357737700 534713160 /nfs/dbraw/zinc/71/31/60/534713160.db2.gz FMZIFDCCAZMYCL-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357737700 534713162 /nfs/dbraw/zinc/71/31/62/534713162.db2.gz FMZIFDCCAZMYCL-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357737700 534713166 /nfs/dbraw/zinc/71/31/66/534713166.db2.gz FMZIFDCCAZMYCL-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000366231430 534720539 /nfs/dbraw/zinc/72/05/39/534720539.db2.gz NKNDOZNCNHRWTE-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000366231430 534720541 /nfs/dbraw/zinc/72/05/41/534720541.db2.gz NKNDOZNCNHRWTE-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000366231430 534720545 /nfs/dbraw/zinc/72/05/45/534720545.db2.gz NKNDOZNCNHRWTE-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000250520251 534736654 /nfs/dbraw/zinc/73/66/54/534736654.db2.gz KOJSDXYFYMKSSY-STQMWFEESA-N 2 1 208.349 2.169 20 30 BEEDMP C=CCC[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000342734517 534767852 /nfs/dbraw/zinc/76/78/52/534767852.db2.gz LMLMELBHYZHBJV-UHFFFAOYSA-N 2 1 210.365 2.370 20 30 BEEDMP C=CCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000338548459 534770672 /nfs/dbraw/zinc/77/06/72/534770672.db2.gz YTTFIWLIDQXMHX-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000338548459 534770679 /nfs/dbraw/zinc/77/06/79/534770679.db2.gz YTTFIWLIDQXMHX-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000338548459 534770683 /nfs/dbraw/zinc/77/06/83/534770683.db2.gz YTTFIWLIDQXMHX-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]CCc1ccc(C)cc1 ZINC000894863636 583536330 /nfs/dbraw/zinc/53/63/30/583536330.db2.gz OZQQJYINSNIQPW-UHFFFAOYSA-N 2 1 244.382 2.082 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]CCc1ccc(C)cc1 ZINC000894863636 583536331 /nfs/dbraw/zinc/53/63/31/583536331.db2.gz OZQQJYINSNIQPW-UHFFFAOYSA-N 2 1 244.382 2.082 20 30 BEEDMP CC1([NH+]2CCC2)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000880473238 583542229 /nfs/dbraw/zinc/54/22/29/583542229.db2.gz ACWNSESRGAXQQL-UONOGXRCSA-N 2 1 247.386 2.239 20 30 BEEDMP C[NH2+]C[C@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000903424752 584765072 /nfs/dbraw/zinc/76/50/72/584765072.db2.gz DWZILVUKSYWAHL-JXQTWKCFSA-N 2 1 235.375 2.000 20 30 BEEDMP CC[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC[C@@H]1[NH3+] ZINC000903450178 584772266 /nfs/dbraw/zinc/77/22/66/584772266.db2.gz OOKIZFIKQKTMEM-WUCCLRPBSA-N 2 1 249.402 2.376 20 30 BEEDMP N#C[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000903564203 584782410 /nfs/dbraw/zinc/78/24/10/584782410.db2.gz QGRDSEPAVSRFLN-CQSZACIVSA-N 2 1 235.375 2.002 20 30 BEEDMP C=CC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812160 584803367 /nfs/dbraw/zinc/80/33/67/584803367.db2.gz RHIQWZHAWYNJRA-GFCCVEGCSA-N 2 1 208.349 2.156 20 30 BEEDMP C#CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754464880 585285026 /nfs/dbraw/zinc/28/50/26/585285026.db2.gz NXEBDDKWKJDGBK-ZIAGYGMSSA-N 2 1 234.387 2.252 20 30 BEEDMP C[C@H](CCC#N)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000839609344 585332978 /nfs/dbraw/zinc/33/29/78/585332978.db2.gz LDHYSGZUTWFZOM-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000839609344 585332979 /nfs/dbraw/zinc/33/29/79/585332979.db2.gz LDHYSGZUTWFZOM-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCC#N)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000839609344 585332980 /nfs/dbraw/zinc/33/29/80/585332980.db2.gz LDHYSGZUTWFZOM-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000839609341 585333050 /nfs/dbraw/zinc/33/30/50/585333050.db2.gz LDHYSGZUTWFZOM-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000839609341 585333051 /nfs/dbraw/zinc/33/30/51/585333051.db2.gz LDHYSGZUTWFZOM-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000839609341 585333052 /nfs/dbraw/zinc/33/30/52/585333052.db2.gz LDHYSGZUTWFZOM-KBPBESRZSA-N 2 1 235.375 2.096 20 30 BEEDMP C#CCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000766903086 585510598 /nfs/dbraw/zinc/51/05/98/585510598.db2.gz PESDDQPQHYPPOU-AWEZNQCLSA-N 2 1 222.376 2.206 20 30 BEEDMP C#CCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000766903086 585510599 /nfs/dbraw/zinc/51/05/99/585510599.db2.gz PESDDQPQHYPPOU-AWEZNQCLSA-N 2 1 222.376 2.206 20 30 BEEDMP C#CCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000766903086 585510600 /nfs/dbraw/zinc/51/06/00/585510600.db2.gz PESDDQPQHYPPOU-AWEZNQCLSA-N 2 1 222.376 2.206 20 30 BEEDMP C#CCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000766903644 585510793 /nfs/dbraw/zinc/51/07/93/585510793.db2.gz UHYDKMICWRQABG-CABCVRRESA-N 2 1 234.387 2.347 20 30 BEEDMP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000809619171 586509495 /nfs/dbraw/zinc/50/94/95/586509495.db2.gz QTLRYYFGGUGQAZ-MRXNPFEDSA-N 2 1 242.366 2.099 20 30 BEEDMP C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000817960972 586851758 /nfs/dbraw/zinc/85/17/58/586851758.db2.gz VJRFIVWVHRBCBE-GFCCVEGCSA-N 2 1 246.354 2.087 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834814400 587767364 /nfs/dbraw/zinc/76/73/64/587767364.db2.gz KFDCGYDADYZLQV-MRXNPFEDSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834814400 587767365 /nfs/dbraw/zinc/76/73/65/587767365.db2.gz KFDCGYDADYZLQV-MRXNPFEDSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000850470396 588548825 /nfs/dbraw/zinc/54/88/25/588548825.db2.gz AIQQTHUZNBYUPY-NSHDSACASA-N 2 1 246.345 2.211 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000850470396 588548826 /nfs/dbraw/zinc/54/88/26/588548826.db2.gz AIQQTHUZNBYUPY-NSHDSACASA-N 2 1 246.345 2.211 20 30 BEEDMP C=C(Cl)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708301 589514587 /nfs/dbraw/zinc/51/45/87/589514587.db2.gz MMHJUVUBYAMWQB-GFCCVEGCSA-N 2 1 230.783 2.436 20 30 BEEDMP C=C(Cl)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708301 589514589 /nfs/dbraw/zinc/51/45/89/589514589.db2.gz MMHJUVUBYAMWQB-GFCCVEGCSA-N 2 1 230.783 2.436 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000872139242 589880516 /nfs/dbraw/zinc/88/05/16/589880516.db2.gz ANAQTMRIBXHAHI-YHUYYLMFSA-N 2 1 246.398 2.395 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000872140448 589881065 /nfs/dbraw/zinc/88/10/65/589881065.db2.gz NRIITCQQJZOZSE-TUVASFSCSA-N 2 1 234.387 2.251 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000872140448 589881068 /nfs/dbraw/zinc/88/10/68/589881068.db2.gz NRIITCQQJZOZSE-TUVASFSCSA-N 2 1 234.387 2.251 20 30 BEEDMP C#CCCCCCC[N@H+]1CCn2cncc2C1 ZINC000877538841 590351105 /nfs/dbraw/zinc/35/11/05/590351105.db2.gz FIOOWDMGBMYBLW-UHFFFAOYSA-N 2 1 231.343 2.282 20 30 BEEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878661673 590604739 /nfs/dbraw/zinc/60/47/39/590604739.db2.gz GWQDCAREMBQBLY-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878661673 590604740 /nfs/dbraw/zinc/60/47/40/590604740.db2.gz GWQDCAREMBQBLY-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000878661673 590604741 /nfs/dbraw/zinc/60/47/41/590604741.db2.gz GWQDCAREMBQBLY-KGLIPLIRSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580720 590802381 /nfs/dbraw/zinc/80/23/81/590802381.db2.gz UQVCPWGFZQNYSO-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580720 590802384 /nfs/dbraw/zinc/80/23/84/590802384.db2.gz UQVCPWGFZQNYSO-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580720 590802387 /nfs/dbraw/zinc/80/23/87/590802387.db2.gz UQVCPWGFZQNYSO-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580720 590802389 /nfs/dbraw/zinc/80/23/89/590802389.db2.gz UQVCPWGFZQNYSO-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000883428855 591660889 /nfs/dbraw/zinc/66/08/89/591660889.db2.gz DTPMRDLSJROMJN-MJBXVCDLSA-N 2 1 222.376 2.273 20 30 BEEDMP C#CC[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000886356137 592216023 /nfs/dbraw/zinc/21/60/23/592216023.db2.gz UORNHUKWJDNWQT-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000886356137 592216024 /nfs/dbraw/zinc/21/60/24/592216024.db2.gz UORNHUKWJDNWQT-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000886356137 592216025 /nfs/dbraw/zinc/21/60/25/592216025.db2.gz UORNHUKWJDNWQT-CABCVRRESA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000886356139 592216150 /nfs/dbraw/zinc/21/61/50/592216150.db2.gz UORNHUKWJDNWQT-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000886356139 592216151 /nfs/dbraw/zinc/21/61/51/592216151.db2.gz UORNHUKWJDNWQT-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CC[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000886356139 592216152 /nfs/dbraw/zinc/21/61/52/592216152.db2.gz UORNHUKWJDNWQT-HUUCEWRRSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCC#C)CC1 ZINC000886389700 592222092 /nfs/dbraw/zinc/22/20/92/592222092.db2.gz UNVJPVNXMLQLIZ-WKILWMFISA-N 2 1 246.398 2.208 20 30 BEEDMP C#CCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886662490 592294664 /nfs/dbraw/zinc/29/46/64/592294664.db2.gz FIHBMMLJZSLVDC-UHFFFAOYSA-N 2 1 231.343 2.229 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(CC)CC1 ZINC000327974919 633197342 /nfs/dbraw/zinc/19/73/42/633197342.db2.gz HFWRCSNOACDBOH-UHFFFAOYSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC(CC)CC1 ZINC000327974919 633197348 /nfs/dbraw/zinc/19/73/48/633197348.db2.gz HFWRCSNOACDBOH-UHFFFAOYSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]CC1CCCCC1 ZINC000328106448 633236539 /nfs/dbraw/zinc/23/65/39/633236539.db2.gz MTFNZWIRFLSOMY-UHFFFAOYSA-N 2 1 222.376 2.111 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]CC1CCCCC1 ZINC000328106448 633236548 /nfs/dbraw/zinc/23/65/48/633236548.db2.gz MTFNZWIRFLSOMY-UHFFFAOYSA-N 2 1 222.376 2.111 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000328104464 633236702 /nfs/dbraw/zinc/23/67/02/633236702.db2.gz MEUKTOBYNUFLFR-FICVDOATSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000328104464 633236708 /nfs/dbraw/zinc/23/67/08/633236708.db2.gz MEUKTOBYNUFLFR-FICVDOATSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000328104465 633237249 /nfs/dbraw/zinc/23/72/49/633237249.db2.gz MEUKTOBYNUFLFR-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000328104465 633237258 /nfs/dbraw/zinc/23/72/58/633237258.db2.gz MEUKTOBYNUFLFR-KBPBESRZSA-N 2 1 236.403 2.356 20 30 BEEDMP CC(C)(CC#N)C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925692409 634324527 /nfs/dbraw/zinc/32/45/27/634324527.db2.gz KDKDPGSRHQBPRK-GFCCVEGCSA-N 2 1 235.375 2.191 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C[NH+](C)C)OCC ZINC000926960159 636973759 /nfs/dbraw/zinc/97/37/59/636973759.db2.gz FGLJTYCWSSXYMS-MELADBBJSA-N 2 1 242.407 2.143 20 30 BEEDMP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])CC)cc1 ZINC000817980832 644993736 /nfs/dbraw/zinc/99/37/36/644993736.db2.gz XFKZDHRMKIXRAY-TZMCWYRMSA-N 2 1 246.354 2.087 20 30 BEEDMP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])CC)cc1 ZINC000817980830 644995731 /nfs/dbraw/zinc/99/57/31/644995731.db2.gz XFKZDHRMKIXRAY-JSGCOSHPSA-N 2 1 246.354 2.087 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925567406 646338463 /nfs/dbraw/zinc/33/84/63/646338463.db2.gz DCIGRNTUEHEURH-CHWSQXEVSA-N 2 1 242.794 2.497 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000382126871 710798024 /nfs/dbraw/zinc/79/80/24/710798024.db2.gz NWDPFLMLMKSSPM-NRXISQOPSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000382126871 710798029 /nfs/dbraw/zinc/79/80/29/710798029.db2.gz NWDPFLMLMKSSPM-NRXISQOPSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000383060834 710975920 /nfs/dbraw/zinc/97/59/20/710975920.db2.gz NHYYMYZXEVFUFT-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000383060834 710975922 /nfs/dbraw/zinc/97/59/22/710975922.db2.gz NHYYMYZXEVFUFT-QLFBSQMISA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000392769422 711152087 /nfs/dbraw/zinc/15/20/87/711152087.db2.gz BFWALJYUGOPHOY-CVEARBPZSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000392769422 711152093 /nfs/dbraw/zinc/15/20/93/711152093.db2.gz BFWALJYUGOPHOY-CVEARBPZSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000392779803 711152673 /nfs/dbraw/zinc/15/26/73/711152673.db2.gz YQOJBJXDEGTKHN-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000392779803 711152675 /nfs/dbraw/zinc/15/26/75/711152675.db2.gz YQOJBJXDEGTKHN-GJZGRUSLSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)C1CCCCC1 ZINC000392881938 711152973 /nfs/dbraw/zinc/15/29/73/711152973.db2.gz SHEHIUWEASQDJQ-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)C1CCCCC1 ZINC000392881938 711152975 /nfs/dbraw/zinc/15/29/75/711152975.db2.gz SHEHIUWEASQDJQ-CQSZACIVSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000394782641 711197724 /nfs/dbraw/zinc/19/77/24/711197724.db2.gz HNBOJBVLNMQUHF-CABCVRRESA-N 2 1 236.403 2.357 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000394782641 711197727 /nfs/dbraw/zinc/19/77/27/711197727.db2.gz HNBOJBVLNMQUHF-CABCVRRESA-N 2 1 236.403 2.357 20 30 BEEDMP Cc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1C#N ZINC000723710013 711535718 /nfs/dbraw/zinc/53/57/18/711535718.db2.gz RHTRDOALLWCVOK-CYBMUJFWSA-N 2 1 243.354 2.037 20 30 BEEDMP Cc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1C#N ZINC000701874891 712030776 /nfs/dbraw/zinc/03/07/76/712030776.db2.gz PFTSXPHDRIMNEA-UHFFFAOYSA-N 2 1 243.354 2.051 20 30 BEEDMP C=CC[C@H]1CC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703622332 712081546 /nfs/dbraw/zinc/08/15/46/712081546.db2.gz BHSQTZLQWLOXCX-AVOUXACISA-N 2 1 234.387 2.415 20 30 BEEDMP C=CC[C@H]1CC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000703671636 712082602 /nfs/dbraw/zinc/08/26/02/712082602.db2.gz SCECEIPSGOSWOZ-UONOGXRCSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CC[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000705862681 712137801 /nfs/dbraw/zinc/13/78/01/712137801.db2.gz QRWZYAUMYSCNBY-WDEREUQCSA-N 2 1 232.318 2.257 20 30 BEEDMP C=CC[C@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000705862681 712137802 /nfs/dbraw/zinc/13/78/02/712137802.db2.gz QRWZYAUMYSCNBY-WDEREUQCSA-N 2 1 232.318 2.257 20 30 BEEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000710016806 712240809 /nfs/dbraw/zinc/24/08/09/712240809.db2.gz LXGAEVLXFNRJEF-STQMWFEESA-N 2 1 237.391 2.246 20 30 BEEDMP C=CCCC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000720874254 712872777 /nfs/dbraw/zinc/87/27/77/712872777.db2.gz XFIBJZOLSGUGHL-VHSXEESVSA-N 2 1 236.281 2.022 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000383127428 959999197 /nfs/dbraw/zinc/99/91/97/959999197.db2.gz HXEVBOJYVZQWSS-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000383127428 959999201 /nfs/dbraw/zinc/99/92/01/959999201.db2.gz HXEVBOJYVZQWSS-ZIAGYGMSSA-N 2 1 236.403 2.356 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000328009264 1166391129 /nfs/dbraw/zinc/39/11/29/1166391129.db2.gz PORFCSJMJNCYEM-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000328009264 1166391136 /nfs/dbraw/zinc/39/11/36/1166391136.db2.gz PORFCSJMJNCYEM-HUUCEWRRSA-N 2 1 236.403 2.500 20 30 BEEDMP C[N@@H+]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)CC1 ZINC001254498329 969663025 /nfs/dbraw/zinc/66/30/25/969663025.db2.gz VWKXKDBHOYTHQI-CYBMUJFWSA-N 2 1 235.375 2.144 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)CC1 ZINC001254498329 969663041 /nfs/dbraw/zinc/66/30/41/969663041.db2.gz VWKXKDBHOYTHQI-CYBMUJFWSA-N 2 1 235.375 2.144 20 30 BEEDMP CCC[N@@H+](CCC[NH+](C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254675030 969780998 /nfs/dbraw/zinc/78/09/98/969780998.db2.gz DIUQCFBFVAUUEN-ZIAGYGMSSA-N 2 1 237.391 2.342 20 30 BEEDMP C=CCOC1CCC([N@H+](C)C[C@H](C)C[NH3+])CC1 ZINC001173316948 975303064 /nfs/dbraw/zinc/30/30/64/975303064.db2.gz PMFVJXOSWPUSER-IYXRBSQSSA-N 2 1 240.391 2.027 20 30 BEEDMP C#CC(C)(C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000232734474 1167158317 /nfs/dbraw/zinc/15/83/17/1167158317.db2.gz YPSVKRMSIUBMGN-UHFFFAOYSA-N 2 1 222.376 2.108 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000696104796 1167653569 /nfs/dbraw/zinc/65/35/69/1167653569.db2.gz MXZAYZMNUNYPOH-HOTGVXAUSA-N 2 1 248.414 2.500 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000696104796 1167653576 /nfs/dbraw/zinc/65/35/76/1167653576.db2.gz MXZAYZMNUNYPOH-HOTGVXAUSA-N 2 1 248.414 2.500 20 30 BEEDMP C[N@H+]1CCCC2(CC[NH+](CCCC#N)CC2)C1 ZINC001277943585 979041468 /nfs/dbraw/zinc/04/14/68/979041468.db2.gz ZQVZUNKWCOTBEU-UHFFFAOYSA-N 2 1 235.375 2.098 20 30 BEEDMP CC[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172480336 974779228 /nfs/dbraw/zinc/77/92/28/974779228.db2.gz PCQQYUBVQWVYIN-GFCCVEGCSA-N 2 1 223.364 2.143 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001246585488 972959553 /nfs/dbraw/zinc/95/95/53/972959553.db2.gz XIXYHQJOQZDKCU-QWHCGFSZSA-N 2 1 223.364 2.130 20 30 BEEDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCC(C#N)CC1 ZINC001256957971 971033760 /nfs/dbraw/zinc/03/37/60/971033760.db2.gz PLBLOVIBOBELSD-JXQTWKCFSA-N 2 1 235.375 2.143 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3CC[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001257887270 971518035 /nfs/dbraw/zinc/51/80/35/971518035.db2.gz ZPCJUAINCQVWLI-WJLOJVBCSA-N 2 1 220.360 2.154 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]([NH3+])C3)C[C@H](C1)C2 ZINC001257887270 971518039 /nfs/dbraw/zinc/51/80/39/971518039.db2.gz ZPCJUAINCQVWLI-WJLOJVBCSA-N 2 1 220.360 2.154 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156783 974332312 /nfs/dbraw/zinc/33/23/12/974332312.db2.gz SSXLJIRXSUQOCC-RYUDHWBXSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156783 974332323 /nfs/dbraw/zinc/33/23/23/974332323.db2.gz SSXLJIRXSUQOCC-RYUDHWBXSA-N 2 1 214.328 2.104 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156783 974332337 /nfs/dbraw/zinc/33/23/37/974332337.db2.gz SSXLJIRXSUQOCC-RYUDHWBXSA-N 2 1 214.328 2.104 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000692955127 957046416 /nfs/dbraw/zinc/04/64/16/957046416.db2.gz LVOMWQZGTUAVJD-CYBMUJFWSA-N 2 1 242.794 2.451 20 30 BEEDMP C=CC[NH+](CC=C)C[C@@H]1CCC[N@H+](C)C1 ZINC001208608021 957093070 /nfs/dbraw/zinc/09/30/70/957093070.db2.gz FDZSSPXZZPKUHD-CYBMUJFWSA-N 2 1 208.349 2.002 20 30 BEEDMP C=CC[NH+](CC=C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608021 957093059 /nfs/dbraw/zinc/09/30/59/957093059.db2.gz FDZSSPXZZPKUHD-CYBMUJFWSA-N 2 1 208.349 2.002 20 30 BEEDMP C=CCCCCCC[N@H+]1CCC[NH2+]CC1 ZINC000308804360 959510870 /nfs/dbraw/zinc/51/08/70/959510870.db2.gz MALVCABBYWVLNY-UHFFFAOYSA-N 2 1 210.365 2.418 20 30 BEEDMP C#Cc1cccc(C[N@@H+]2CCCC[C@@H](C[NH3+])C2)c1 ZINC001206633020 962148263 /nfs/dbraw/zinc/14/82/63/962148263.db2.gz RFSLYUPLAKRWQG-INIZCTEOSA-N 2 1 242.366 2.229 20 30 BEEDMP C=CCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC000711320598 962683087 /nfs/dbraw/zinc/68/30/87/962683087.db2.gz IEMSKWJWKRTBGP-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC000712467575 962903946 /nfs/dbraw/zinc/90/39/46/962903946.db2.gz MSAWLRKTCMGYTQ-KKUMJFAQSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC000712467575 962903951 /nfs/dbraw/zinc/90/39/51/962903951.db2.gz MSAWLRKTCMGYTQ-KKUMJFAQSA-N 2 1 234.387 2.110 20 30 BEEDMP Cc1[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)ccc1CC#N ZINC001154988724 962931922 /nfs/dbraw/zinc/93/19/22/962931922.db2.gz RMXMCVZBYLJQRU-STQMWFEESA-N 2 1 244.342 2.138 20 30 BEEDMP C[NH+](C)C1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001168324194 964444901 /nfs/dbraw/zinc/44/49/01/964444901.db2.gz JKOHDEAJZGJOHY-NFOMZHRRSA-N 2 1 249.402 2.485 20 30 BEEDMP C[C@@H](CC[NH2+]Cc1ccc(C#N)s1)[NH+](C)C ZINC000697911209 964677183 /nfs/dbraw/zinc/67/71/83/964677183.db2.gz YGTFBBNUNWCCLU-JTQLQIEISA-N 2 1 237.372 2.050 20 30 BEEDMP CC(C)(C)C#CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363384 964679042 /nfs/dbraw/zinc/67/90/42/964679042.db2.gz ZNACJIUOYHDCKL-UHFFFAOYSA-N 2 1 248.414 2.500 20 30 BEEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387645 965111071 /nfs/dbraw/zinc/11/10/71/965111071.db2.gz NTVJADDMQXJWTC-AWEZNQCLSA-N 2 1 246.398 2.206 20 30 BEEDMP C#Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218138 966312851 /nfs/dbraw/zinc/31/28/51/966312851.db2.gz REZOMOANPHPTAT-HZPDHXFCSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218138 966312863 /nfs/dbraw/zinc/31/28/63/966312863.db2.gz REZOMOANPHPTAT-HZPDHXFCSA-N 2 1 242.366 2.370 20 30 BEEDMP C#Cc1cccc(C[N@@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205280609 967469906 /nfs/dbraw/zinc/46/99/06/967469906.db2.gz DFYZGTJFQODAPA-INIZCTEOSA-N 2 1 242.366 2.371 20 30 BEEDMP C=CCCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206540976 968366472 /nfs/dbraw/zinc/36/64/72/968366472.db2.gz DZIBLQOMWUGYKY-ZDUSSCGKSA-N 2 1 210.365 2.404 20 30 BEEDMP C=CC[N@@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208185441 969117590 /nfs/dbraw/zinc/11/75/90/969117590.db2.gz DSKFQFMSCHYKOP-UHFFFAOYSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CC[N@H+](C)CC1(C[NH+](C)C)CCCC1 ZINC001208185441 969117596 /nfs/dbraw/zinc/11/75/96/969117596.db2.gz DSKFQFMSCHYKOP-UHFFFAOYSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209164579 969365336 /nfs/dbraw/zinc/36/53/36/969365336.db2.gz DXYSMVHKLMMSEQ-UHFFFAOYSA-N 2 1 208.349 2.123 20 30 BEEDMP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC001254515282 969688061 /nfs/dbraw/zinc/68/80/61/969688061.db2.gz VGVLDBNPUPAJQK-GFCCVEGCSA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc(C#N)cs2)CC1 ZINC001254515282 969688067 /nfs/dbraw/zinc/68/80/67/969688067.db2.gz VGVLDBNPUPAJQK-GFCCVEGCSA-N 2 1 249.383 2.194 20 30 BEEDMP C[N@H+]1CCC[C@@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001254525431 969716928 /nfs/dbraw/zinc/71/69/28/969716928.db2.gz IHWNPBKMZPLOJU-TUVASFSCSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001254525431 969716941 /nfs/dbraw/zinc/71/69/41/969716941.db2.gz IHWNPBKMZPLOJU-TUVASFSCSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001254525431 969716952 /nfs/dbraw/zinc/71/69/52/969716952.db2.gz IHWNPBKMZPLOJU-TUVASFSCSA-N 2 1 247.386 2.237 20 30 BEEDMP C[N@H+]1CCC[C@H]([NH+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001254525432 969718886 /nfs/dbraw/zinc/71/88/86/969718886.db2.gz IHWNPBKMZPLOJU-ZQDZILKHSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001254525432 969718891 /nfs/dbraw/zinc/71/88/91/969718891.db2.gz IHWNPBKMZPLOJU-ZQDZILKHSA-N 2 1 247.386 2.237 20 30 BEEDMP C[NH+]1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001254525432 969718893 /nfs/dbraw/zinc/71/88/93/969718893.db2.gz IHWNPBKMZPLOJU-ZQDZILKHSA-N 2 1 247.386 2.237 20 30 BEEDMP C=CCC[C@H](C)[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580925 972943894 /nfs/dbraw/zinc/94/38/94/972943894.db2.gz OHKSLJYXCZUBKQ-STQMWFEESA-N 2 1 228.355 2.494 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001246580925 972943911 /nfs/dbraw/zinc/94/39/11/972943911.db2.gz OHKSLJYXCZUBKQ-STQMWFEESA-N 2 1 228.355 2.494 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4C[NH2+]C[C@H]43)C[C@H](C1)C2 ZINC001246915579 973460200 /nfs/dbraw/zinc/46/02/00/973460200.db2.gz GRXFGYWXEQLBJP-KDLCZHGXSA-N 2 1 232.371 2.025 20 30 BEEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4C[NH2+]C[C@H]43)C[C@H](C1)C2 ZINC001246915579 973460209 /nfs/dbraw/zinc/46/02/09/973460209.db2.gz GRXFGYWXEQLBJP-KDLCZHGXSA-N 2 1 232.371 2.025 20 30 BEEDMP CCC[N@@H+](CCC[NH3+])[C@@H](C)CCCC#N ZINC001172481324 974781766 /nfs/dbraw/zinc/78/17/66/974781766.db2.gz SWJSQXIXIWTGSR-LBPRGKRZSA-N 2 1 211.353 2.130 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001172499468 974852306 /nfs/dbraw/zinc/85/23/06/974852306.db2.gz XYZHKCKIQWZNTL-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001172499468 974852308 /nfs/dbraw/zinc/85/23/08/974852308.db2.gz XYZHKCKIQWZNTL-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCCC#N)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001172499468 974852313 /nfs/dbraw/zinc/85/23/13/974852313.db2.gz XYZHKCKIQWZNTL-ZIAGYGMSSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@H](CCCC#N)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC001172507548 974862246 /nfs/dbraw/zinc/86/22/46/974862246.db2.gz WNDJHLDDDFJHEW-CYBMUJFWSA-N 2 1 237.391 2.342 20 30 BEEDMP C[C@H](CCCC#N)[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001172508961 974862701 /nfs/dbraw/zinc/86/27/01/974862701.db2.gz ICFZVWWMURMNLZ-MCIONIFRSA-N 2 1 235.375 2.095 20 30 BEEDMP CC[NH+](CC)C1CCC([N@@H+](C)CCC#N)CC1 ZINC001173108443 975024602 /nfs/dbraw/zinc/02/46/02/975024602.db2.gz KUHJESCGNNVLSE-UHFFFAOYSA-N 2 1 237.391 2.485 20 30 BEEDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592089 975439962 /nfs/dbraw/zinc/43/99/62/975439962.db2.gz FLUCUUKHXWIJAC-JLVJUDLZSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592089 975439987 /nfs/dbraw/zinc/43/99/87/975439987.db2.gz FLUCUUKHXWIJAC-JLVJUDLZSA-N 2 1 249.402 2.389 20 30 BEEDMP CCCCCCCC[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210560 979001352 /nfs/dbraw/zinc/00/13/52/979001352.db2.gz MUPSZEITPDREPF-ITGUQSILSA-N 2 1 210.365 2.236 20 30 BEEDMP CCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235256798 979009479 /nfs/dbraw/zinc/00/94/79/979009479.db2.gz GSSOVRBSBBROES-STQMWFEESA-N 2 1 210.365 2.251 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237380078 979878947 /nfs/dbraw/zinc/87/89/47/979878947.db2.gz FCWPAUYRWPNFTA-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C#CCCCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000686675322 985195988 /nfs/dbraw/zinc/19/59/88/985195988.db2.gz OTPNMCJGKFKVDJ-HZPDHXFCSA-N 2 1 248.414 2.454 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC000707782467 986296216 /nfs/dbraw/zinc/29/62/16/986296216.db2.gz BOMIPOFXLDBHKG-SOUVJXGZSA-N 2 1 234.387 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC000707782467 986296229 /nfs/dbraw/zinc/29/62/29/986296229.db2.gz BOMIPOFXLDBHKG-SOUVJXGZSA-N 2 1 234.387 2.110 20 30 BEEDMP N#CCC1(C[N@H+]2C[C@@H]3CCCC[C@@]3(C[NH3+])C2)CC1 ZINC001580047524 986476578 /nfs/dbraw/zinc/47/65/78/986476578.db2.gz JKUOUIZVLCPXSE-DZGCQCFKSA-N 2 1 247.386 2.131 20 30 BEEDMP C#CCCCCCC[NH2+][C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001462664352 986492396 /nfs/dbraw/zinc/49/23/96/986492396.db2.gz GVMPFMGKCVFDMR-HRCADAONSA-N 2 1 248.414 2.500 20 30 BEEDMP CCC#C[C@@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473894787 987605869 /nfs/dbraw/zinc/60/58/69/987605869.db2.gz QSBGGXWYTMCSPF-CYBMUJFWSA-N 2 1 245.370 2.401 20 30 BEEDMP C[N@H+]1C[C@@H]2CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]2C1 ZINC001474302781 987681157 /nfs/dbraw/zinc/68/11/57/987681157.db2.gz GEJXLFNMOJCPGV-MJBXVCDLSA-N 2 1 249.402 2.246 20 30 BEEDMP CC[C@H](CC#N)[NH2+][C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246337707 987746054 /nfs/dbraw/zinc/74/60/54/987746054.db2.gz BPERYWHGUGLFNR-UPJWGTAASA-N 2 1 221.348 2.072 20 30 BEEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246561041 987989883 /nfs/dbraw/zinc/98/98/83/987989883.db2.gz HXDXMHXCRVQDQN-RDBSUJKOSA-N 2 1 237.391 2.376 20 30 BEEDMP C=C1C[C@@H]2CC([N@@H+](C)CCC[NH3+])C[C@H](C1)C2 ZINC001246682140 988432997 /nfs/dbraw/zinc/43/29/97/988432997.db2.gz SPGIHEVNPVXKDK-PBWFPOADSA-N 2 1 222.376 2.402 20 30 BEEDMP C=CCC[C@H](C)n1c(C)c[nH+]c1CC[NH3+] ZINC001258717658 991645050 /nfs/dbraw/zinc/64/50/50/991645050.db2.gz RODNRJHNGQCLCN-JTQLQIEISA-N 2 1 207.321 2.220 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001258721949 991655413 /nfs/dbraw/zinc/65/54/13/991655413.db2.gz JHHKQXCKJKOPHK-FQUUOJAGSA-N 2 1 222.376 2.413 20 30 BEEDMP C=CCC[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001258732508 991674649 /nfs/dbraw/zinc/67/46/49/991674649.db2.gz MONLTMLKSATOIP-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001258732508 991674655 /nfs/dbraw/zinc/67/46/55/991674655.db2.gz MONLTMLKSATOIP-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCC[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001258732508 991674661 /nfs/dbraw/zinc/67/46/61/991674661.db2.gz MONLTMLKSATOIP-KBPBESRZSA-N 2 1 222.376 2.369 20 30 BEEDMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001258775563 991742183 /nfs/dbraw/zinc/74/21/83/991742183.db2.gz UBNKJRQUUHYDPZ-AWEZNQCLSA-N 2 1 249.402 2.486 20 30 BEEDMP C=C(C)C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001574836321 992924922 /nfs/dbraw/zinc/92/49/22/992924922.db2.gz MJFSYWNQUFCYKT-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C=C(C)C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001574836321 992924927 /nfs/dbraw/zinc/92/49/27/992924927.db2.gz MJFSYWNQUFCYKT-ZDUSSCGKSA-N 2 1 208.349 2.171 20 30 BEEDMP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC001574900101 992941795 /nfs/dbraw/zinc/94/17/95/992941795.db2.gz PSWPZDVSDKIFCT-UPJWGTAASA-N 2 1 208.349 2.073 20 30 BEEDMP C=CCCCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001574907435 992941918 /nfs/dbraw/zinc/94/19/18/992941918.db2.gz LXAZRKZTMCDWTQ-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CCCCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001574907435 992941919 /nfs/dbraw/zinc/94/19/19/992941919.db2.gz LXAZRKZTMCDWTQ-UONOGXRCSA-N 2 1 222.376 2.417 20 30 BEEDMP C#CCCC[NH+]1CCC([NH+](CC)CC)CC1 ZINC000384274742 993564665 /nfs/dbraw/zinc/56/46/65/993564665.db2.gz SPGOBLOLVCIDLW-UHFFFAOYSA-N 2 1 222.376 2.206 20 30 BEEDMP CC(C)[NH+]1CCC([NH2+]CC#CC(C)(C)C)CC1 ZINC000387469129 993709094 /nfs/dbraw/zinc/70/90/94/993709094.db2.gz YNBBDIVOOUHHEK-UHFFFAOYSA-N 2 1 236.403 2.498 20 30 BEEDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414174060 398218684 /nfs/dbraw/zinc/21/86/84/398218684.db2.gz XSNDRJIXIYIRGG-UPJWGTAASA-N 2 1 237.391 2.245 20 30 BEEDMP C=CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175718146 365580475 /nfs/dbraw/zinc/58/04/75/365580475.db2.gz ZVJZFLBISCGBRN-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175718146 365580478 /nfs/dbraw/zinc/58/04/78/365580478.db2.gz ZVJZFLBISCGBRN-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP C=CCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000175718146 365580482 /nfs/dbraw/zinc/58/04/82/365580482.db2.gz ZVJZFLBISCGBRN-OLZOCXBDSA-N 2 1 210.365 2.225 20 30 BEEDMP N#CC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000602515693 349572986 /nfs/dbraw/zinc/57/29/86/349572986.db2.gz BODWWCGJZUJERT-CVSAEHQPSA-N 2 1 247.386 2.285 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602523952 349576947 /nfs/dbraw/zinc/57/69/47/349576947.db2.gz JFWDPMYBLIWQPV-SHARSMKWSA-N 2 1 249.402 2.390 20 30 BEEDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602508348 349583484 /nfs/dbraw/zinc/58/34/84/349583484.db2.gz BINXMKCCGSBOSY-CHWSQXEVSA-N 2 1 248.374 2.357 20 30 BEEDMP CC[C@@H](C[NH2+]C[C@H](C)CCC#N)[NH+]1CCCC1 ZINC000602507236 349583504 /nfs/dbraw/zinc/58/35/04/349583504.db2.gz DOAPGHGKMUNYOO-KGLIPLIRSA-N 2 1 237.391 2.390 20 30 BEEDMP CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)[NH+]1CCCC1 ZINC000602507235 349583556 /nfs/dbraw/zinc/58/35/56/349583556.db2.gz DOAPGHGKMUNYOO-KBPBESRZSA-N 2 1 237.391 2.390 20 30 BEEDMP CC(C)[N@@H+](C)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602509091 349584226 /nfs/dbraw/zinc/58/42/26/349584226.db2.gz GIKQDQLKJDLDNB-UHFFFAOYSA-N 2 1 237.391 2.389 20 30 BEEDMP N#CC1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000602514576 349587072 /nfs/dbraw/zinc/58/70/72/349587072.db2.gz NXLLOALMNJPUBU-PFSRBDOWSA-N 2 1 247.386 2.285 20 30 BEEDMP N#CC1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000602514576 349587074 /nfs/dbraw/zinc/58/70/74/349587074.db2.gz NXLLOALMNJPUBU-PFSRBDOWSA-N 2 1 247.386 2.285 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@@H+]1C ZINC000602558797 349599318 /nfs/dbraw/zinc/59/93/18/349599318.db2.gz FGUSNSVQIBYNQN-BLYZHGLHSA-N 2 1 235.375 2.141 20 30 BEEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CC[N@H+]1C ZINC000602558797 349599323 /nfs/dbraw/zinc/59/93/23/349599323.db2.gz FGUSNSVQIBYNQN-BLYZHGLHSA-N 2 1 235.375 2.141 20 30 BEEDMP CC#CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000607729352 342784119 /nfs/dbraw/zinc/78/41/19/342784119.db2.gz SYDQLRRQKPXADG-UHFFFAOYSA-N 2 1 222.376 2.062 20 30 BEEDMP C=CCSCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000221938575 259328378 /nfs/dbraw/zinc/32/83/78/259328378.db2.gz QTRRZGYYUOGORG-STQMWFEESA-N 2 1 242.432 2.226 20 30 BEEDMP C=CCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000234327877 342921422 /nfs/dbraw/zinc/92/14/22/342921422.db2.gz YLTWCQRDQJIUKH-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602669208 349685586 /nfs/dbraw/zinc/68/55/86/349685586.db2.gz GQRMCLHKLYYQCS-HSBZDZAISA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602669208 349685589 /nfs/dbraw/zinc/68/55/89/349685589.db2.gz GQRMCLHKLYYQCS-HSBZDZAISA-N 2 1 237.391 2.387 20 30 BEEDMP C[C@H](CCC#N)C[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000602664436 349683615 /nfs/dbraw/zinc/68/36/15/349683615.db2.gz DBVNSBIOKICVFV-RDBSUJKOSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000602664436 349683618 /nfs/dbraw/zinc/68/36/18/349683618.db2.gz DBVNSBIOKICVFV-RDBSUJKOSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000602664436 349683622 /nfs/dbraw/zinc/68/36/22/349683622.db2.gz DBVNSBIOKICVFV-RDBSUJKOSA-N 2 1 237.391 2.198 20 30 BEEDMP C[C@H](CCC#N)C[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000602664436 349683625 /nfs/dbraw/zinc/68/36/25/349683625.db2.gz DBVNSBIOKICVFV-RDBSUJKOSA-N 2 1 237.391 2.198 20 30 BEEDMP CC[NH+](CC)C[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602781042 349747529 /nfs/dbraw/zinc/74/75/29/349747529.db2.gz GLKPXMDQJRDEOL-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP CC[NH+](CC)C[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602781042 349747532 /nfs/dbraw/zinc/74/75/32/349747532.db2.gz GLKPXMDQJRDEOL-CQSZACIVSA-N 2 1 249.402 2.344 20 30 BEEDMP CC#CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000159730708 323030887 /nfs/dbraw/zinc/03/08/87/323030887.db2.gz MISJQABKFJGIJA-ZIAGYGMSSA-N 2 1 234.387 2.252 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000336627252 136264724 /nfs/dbraw/zinc/26/47/24/136264724.db2.gz ZPKZPCLVHKEOGP-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000336627252 136264725 /nfs/dbraw/zinc/26/47/25/136264725.db2.gz ZPKZPCLVHKEOGP-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccc(C#N)cc1 ZINC000343748692 343287234 /nfs/dbraw/zinc/28/72/34/343287234.db2.gz VYHRWPSZTFSXGC-CQSZACIVSA-N 2 1 231.343 2.021 20 30 BEEDMP C[NH+]1CCC2(CC[N@@H+](CC3(CC#N)CC3)C2)CC1 ZINC000602877380 349806882 /nfs/dbraw/zinc/80/68/82/349806882.db2.gz ICDQASZLTAZVFY-UHFFFAOYSA-N 2 1 247.386 2.098 20 30 BEEDMP C[N@H+](CCCC#N)CCCC[NH+]1CCCCC1 ZINC000603110597 349870282 /nfs/dbraw/zinc/87/02/82/349870282.db2.gz MICCPCGSQAVLNC-UHFFFAOYSA-N 2 1 237.391 2.488 20 30 BEEDMP C=CC[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000625700086 344039685 /nfs/dbraw/zinc/03/96/85/344039685.db2.gz ADCOEASJIRUPLX-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000625700086 344039686 /nfs/dbraw/zinc/03/96/86/344039686.db2.gz ADCOEASJIRUPLX-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000625700086 344039688 /nfs/dbraw/zinc/03/96/88/344039688.db2.gz ADCOEASJIRUPLX-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248746043 534959004 /nfs/dbraw/zinc/95/90/04/534959004.db2.gz FLWGUWCPVISEBM-KFWWJZLASA-N 2 1 249.402 2.390 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000126850801 344184797 /nfs/dbraw/zinc/18/47/97/344184797.db2.gz WGXGNVMRUGHCRY-YNEHKIRRSA-N 2 1 210.365 2.413 20 30 BEEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000126850801 344184800 /nfs/dbraw/zinc/18/48/00/344184800.db2.gz WGXGNVMRUGHCRY-YNEHKIRRSA-N 2 1 210.365 2.413 20 30 BEEDMP C[C@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[NH2+]1 ZINC000600710616 344360730 /nfs/dbraw/zinc/36/07/30/344360730.db2.gz POHMDJVCYVCGCQ-AHPWVWPOSA-N 2 1 235.375 2.189 20 30 BEEDMP N#Cc1ccc(C[NH2+]CCC[NH+]2CCCC2)s1 ZINC000135672669 344841603 /nfs/dbraw/zinc/84/16/03/344841603.db2.gz HXCZAMSWRDVGLR-UHFFFAOYSA-N 2 1 249.383 2.195 20 30 BEEDMP CC#CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000155797357 345104153 /nfs/dbraw/zinc/10/41/53/345104153.db2.gz HVYQICWEMBQGSE-OAHLLOKOSA-N 2 1 234.387 2.208 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000294904130 346318606 /nfs/dbraw/zinc/31/86/06/346318606.db2.gz FRSOYPFPPWKMDZ-CYBMUJFWSA-N 2 1 248.345 2.431 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000294904130 346318612 /nfs/dbraw/zinc/31/86/12/346318612.db2.gz FRSOYPFPPWKMDZ-CYBMUJFWSA-N 2 1 248.345 2.431 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)CCC=C ZINC000295033673 346349422 /nfs/dbraw/zinc/34/94/22/346349422.db2.gz OVIZZIADXXBABE-AWEZNQCLSA-N 2 1 222.376 2.276 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)CCC=C ZINC000295033673 346349424 /nfs/dbraw/zinc/34/94/24/346349424.db2.gz OVIZZIADXXBABE-AWEZNQCLSA-N 2 1 222.376 2.276 20 30 BEEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000589344021 346690515 /nfs/dbraw/zinc/69/05/15/346690515.db2.gz MREPTWJNWPDLHM-IHRRRGAJSA-N 2 1 237.391 2.387 20 30 BEEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000589344021 346690518 /nfs/dbraw/zinc/69/05/18/346690518.db2.gz MREPTWJNWPDLHM-IHRRRGAJSA-N 2 1 237.391 2.387 20 30 BEEDMP C[C@@H]([NH3+])C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000591581366 347677564 /nfs/dbraw/zinc/67/75/64/347677564.db2.gz RWKDMQGJZGRBCI-ABAIWWIYSA-N 2 1 243.354 2.263 20 30 BEEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000593646926 347926282 /nfs/dbraw/zinc/92/62/82/347926282.db2.gz UDBRZFQRUDHQLO-ZIAGYGMSSA-N 2 1 237.391 2.246 20 30 BEEDMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593646925 347926466 /nfs/dbraw/zinc/92/64/66/347926466.db2.gz UDBRZFQRUDHQLO-UONOGXRCSA-N 2 1 237.391 2.246 20 30 BEEDMP N#CC1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000594738886 348110552 /nfs/dbraw/zinc/11/05/52/348110552.db2.gz IQCYTLFKQCJEET-CYBMUJFWSA-N 2 1 235.375 2.192 20 30 BEEDMP C=CCCSCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595059150 348184041 /nfs/dbraw/zinc/18/40/41/348184041.db2.gz LTCBIEMJAYENCF-STQMWFEESA-N 2 1 242.432 2.368 20 30 BEEDMP CC(C)(C#N)CCCC[N@H+]1CCn2cncc2C1 ZINC000595489352 348261516 /nfs/dbraw/zinc/26/15/16/348261516.db2.gz HTKFXXZQPMTJJE-UHFFFAOYSA-N 2 1 246.358 2.419 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504105 348264373 /nfs/dbraw/zinc/26/43/73/348264373.db2.gz FEHGWMCFNPVVGH-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504105 348264375 /nfs/dbraw/zinc/26/43/75/348264375.db2.gz FEHGWMCFNPVVGH-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504105 348264379 /nfs/dbraw/zinc/26/43/79/348264379.db2.gz FEHGWMCFNPVVGH-UONOGXRCSA-N 2 1 235.375 2.096 20 30 BEEDMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCCC#N ZINC000595872769 348386245 /nfs/dbraw/zinc/38/62/45/348386245.db2.gz GBKRVVKSKZOTJU-UHFFFAOYSA-N 2 1 225.380 2.390 20 30 BEEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCCC#N ZINC000595872769 348386247 /nfs/dbraw/zinc/38/62/47/348386247.db2.gz GBKRVVKSKZOTJU-UHFFFAOYSA-N 2 1 225.380 2.390 20 30 BEEDMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1ccc(C#N)cc1 ZINC000595893073 348390810 /nfs/dbraw/zinc/39/08/10/348390810.db2.gz OPZOSYOVNMDTHB-AWEZNQCLSA-N 2 1 245.370 2.064 20 30 BEEDMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596654251 348607955 /nfs/dbraw/zinc/60/79/55/348607955.db2.gz ZGYOFKUGSJUBKK-ZIAGYGMSSA-N 2 1 249.402 2.438 20 30 BEEDMP C[N@H+]1CC[C@@H]([NH2+]CC2(CC#N)CC2)CC1(C)C ZINC000598973583 349070370 /nfs/dbraw/zinc/07/03/70/349070370.db2.gz BBTHAEMWJASKPB-GFCCVEGCSA-N 2 1 235.375 2.143 20 30 BEEDMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000599071837 349087678 /nfs/dbraw/zinc/08/76/78/349087678.db2.gz UQFFPVLXUZYXOF-MCIONIFRSA-N 2 1 235.375 2.000 20 30 BEEDMP C=C(C)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336649244 350418226 /nfs/dbraw/zinc/41/82/26/350418226.db2.gz QQEPHNNDDHHCGW-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(C)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000336649244 350418228 /nfs/dbraw/zinc/41/82/28/350418228.db2.gz QQEPHNNDDHHCGW-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CCOc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000414792613 351772378 /nfs/dbraw/zinc/77/23/78/351772378.db2.gz SNJDRRZJQPYWCQ-UHFFFAOYSA-N 2 1 246.354 2.093 20 30 BEEDMP C[C@@H](CCC#N)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000411298212 191176430 /nfs/dbraw/zinc/17/64/30/191176430.db2.gz JCMBMLAFCIHECA-DZGCQCFKSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@@H](CCC#N)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000411298212 191176431 /nfs/dbraw/zinc/17/64/31/191176431.db2.gz JCMBMLAFCIHECA-DZGCQCFKSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000411298212 191176434 /nfs/dbraw/zinc/17/64/34/191176434.db2.gz JCMBMLAFCIHECA-DZGCQCFKSA-N 2 1 249.402 2.342 20 30 BEEDMP C[C@@H](CCC#N)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000411298212 191176437 /nfs/dbraw/zinc/17/64/37/191176437.db2.gz JCMBMLAFCIHECA-DZGCQCFKSA-N 2 1 249.402 2.342 20 30 BEEDMP C=C(CC)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334407622 353089483 /nfs/dbraw/zinc/08/94/83/353089483.db2.gz HLSPTRXGGITZRZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000334407622 353089487 /nfs/dbraw/zinc/08/94/87/353089487.db2.gz HLSPTRXGGITZRZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000334407622 353089489 /nfs/dbraw/zinc/08/94/89/353089489.db2.gz HLSPTRXGGITZRZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334407622 353089490 /nfs/dbraw/zinc/08/94/90/353089490.db2.gz HLSPTRXGGITZRZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000334407622 353089493 /nfs/dbraw/zinc/08/94/93/353089493.db2.gz HLSPTRXGGITZRZ-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000127142423 353263408 /nfs/dbraw/zinc/26/34/08/353263408.db2.gz BWAYLBXQOOMRGE-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C=CC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000127142423 353263411 /nfs/dbraw/zinc/26/34/11/353263411.db2.gz BWAYLBXQOOMRGE-UHFFFAOYSA-N 2 1 207.321 2.090 20 30 BEEDMP C#Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000290127148 353649586 /nfs/dbraw/zinc/64/95/86/353649586.db2.gz URTVLWMWXULYMH-INIZCTEOSA-N 2 1 242.366 2.051 20 30 BEEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000290127148 353649588 /nfs/dbraw/zinc/64/95/88/353649588.db2.gz URTVLWMWXULYMH-INIZCTEOSA-N 2 1 242.366 2.051 20 30 BEEDMP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(CC)o1 ZINC000295079166 353800960 /nfs/dbraw/zinc/80/09/60/353800960.db2.gz SZHDIJZQSOYUQC-CYBMUJFWSA-N 2 1 248.370 2.448 20 30 BEEDMP C=CC[C@H](CC)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000343502165 353915344 /nfs/dbraw/zinc/91/53/44/353915344.db2.gz JZYGBZQEYRYJCT-ZDUSSCGKSA-N 2 1 240.391 2.042 20 30 BEEDMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000343924189 354044108 /nfs/dbraw/zinc/04/41/08/354044108.db2.gz HDFWANIVLHUQSO-MELADBBJSA-N 2 1 237.391 2.389 20 30 BEEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000343924189 354044110 /nfs/dbraw/zinc/04/41/10/354044110.db2.gz HDFWANIVLHUQSO-MELADBBJSA-N 2 1 237.391 2.389 20 30 BEEDMP C=CCCC[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000235657802 363450041 /nfs/dbraw/zinc/45/00/41/363450041.db2.gz QAIHFVXFWBAJDR-STQMWFEESA-N 2 1 210.365 2.273 20 30 BEEDMP C=CCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420398666 192238137 /nfs/dbraw/zinc/23/81/37/192238137.db2.gz NOJDHRBUIXSHGS-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CC[N@H+]1C ZINC000336170434 134114769 /nfs/dbraw/zinc/11/47/69/134114769.db2.gz BREJOAOMZYKZRK-PPWQZUPISA-N 2 1 249.402 2.389 20 30 BEEDMP C=C(C)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755242 356659429 /nfs/dbraw/zinc/65/94/29/356659429.db2.gz IUZUISJXPMMHBQ-UHFFFAOYSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353142551 134162038 /nfs/dbraw/zinc/16/20/38/134162038.db2.gz GEESTTUVCILTHO-FUNVUKJBSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353142551 134162039 /nfs/dbraw/zinc/16/20/39/134162039.db2.gz GEESTTUVCILTHO-FUNVUKJBSA-N 2 1 208.349 2.120 20 30 BEEDMP C=CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353142551 134162040 /nfs/dbraw/zinc/16/20/40/134162040.db2.gz GEESTTUVCILTHO-FUNVUKJBSA-N 2 1 208.349 2.120 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CCCCC#N)[C@@H]2CCC[C@H]21 ZINC000367597950 134215752 /nfs/dbraw/zinc/21/57/52/134215752.db2.gz CQPKBFBFQQVPBH-MELADBBJSA-N 2 1 235.375 2.143 20 30 BEEDMP C=CCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000584391727 357883423 /nfs/dbraw/zinc/88/34/23/357883423.db2.gz CMAATBRXGGCZID-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000584391727 357883425 /nfs/dbraw/zinc/88/34/25/357883425.db2.gz CMAATBRXGGCZID-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000584391727 357883427 /nfs/dbraw/zinc/88/34/27/357883427.db2.gz CMAATBRXGGCZID-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC#N)CC[C@@H]21 ZINC000129104822 358584120 /nfs/dbraw/zinc/58/41/20/358584120.db2.gz DGGIQBCYCCGWAH-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCC#N)CC[C@@H]21 ZINC000129104822 358584123 /nfs/dbraw/zinc/58/41/23/358584123.db2.gz DGGIQBCYCCGWAH-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC#N)CC[C@@H]21 ZINC000129104822 358584126 /nfs/dbraw/zinc/58/41/26/358584126.db2.gz DGGIQBCYCCGWAH-KGLIPLIRSA-N 2 1 235.375 2.096 20 30 BEEDMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CC[N@H+]1C ZINC000135200589 358826536 /nfs/dbraw/zinc/82/65/36/358826536.db2.gz HOTYKSWYQRMVLL-OLZOCXBDSA-N 2 1 237.391 2.389 20 30 BEEDMP CC(C)(C)[C@@H](CN)[NH2+]Cc1cccc(C#N)c1 ZINC000580451900 359559671 /nfs/dbraw/zinc/55/96/71/359559671.db2.gz NFCOPLVPZNNQJA-CYBMUJFWSA-N 2 1 231.343 2.021 20 30 BEEDMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cccc(C#N)c1 ZINC000580451900 359559674 /nfs/dbraw/zinc/55/96/74/359559674.db2.gz NFCOPLVPZNNQJA-CYBMUJFWSA-N 2 1 231.343 2.021 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629397798 361047543 /nfs/dbraw/zinc/04/75/43/361047543.db2.gz ZXSZECBEBVPKPZ-ZDEQEGDKSA-N 2 1 210.365 2.317 20 30 BEEDMP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429693142 201126935 /nfs/dbraw/zinc/12/69/35/201126935.db2.gz YQIUSOJAEWBWSP-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429693142 201126939 /nfs/dbraw/zinc/12/69/39/201126939.db2.gz YQIUSOJAEWBWSP-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429693142 201126942 /nfs/dbraw/zinc/12/69/42/201126942.db2.gz YQIUSOJAEWBWSP-ILXRZTDVSA-N 2 1 249.402 2.342 20 30 BEEDMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000429697238 201127134 /nfs/dbraw/zinc/12/71/34/201127134.db2.gz IHPASQLALPMCLA-RBSFLKMASA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000429697238 201127136 /nfs/dbraw/zinc/12/71/36/201127136.db2.gz IHPASQLALPMCLA-RBSFLKMASA-N 2 1 249.402 2.485 20 30 BEEDMP C[NH+](CC[C@H]1CCCC[N@H+]1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000429697238 201127139 /nfs/dbraw/zinc/12/71/39/201127139.db2.gz IHPASQLALPMCLA-RBSFLKMASA-N 2 1 249.402 2.485 20 30 BEEDMP C=CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561549 361456206 /nfs/dbraw/zinc/45/62/06/361456206.db2.gz JGMIELGFCPNRAT-UWVGGRQHSA-N 2 1 236.281 2.022 20 30 BEEDMP C[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)[C@H]1CC[NH3+] ZINC000600769244 364026107 /nfs/dbraw/zinc/02/61/07/364026107.db2.gz KMNCSBQKGHZOGE-FZMZJTMJSA-N 2 1 247.342 2.101 20 30 BEEDMP C[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)[C@H]1CC[NH3+] ZINC000600769244 364026111 /nfs/dbraw/zinc/02/61/11/364026111.db2.gz KMNCSBQKGHZOGE-FZMZJTMJSA-N 2 1 247.342 2.101 20 30 BEEDMP N#Cc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000581073606 367253683 /nfs/dbraw/zinc/25/36/83/367253683.db2.gz FZYMZHYPDFSMKQ-UHFFFAOYSA-N 2 1 243.354 2.309 20 30 BEEDMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000618570499 369173307 /nfs/dbraw/zinc/17/33/07/369173307.db2.gz LNCGYDVAFMNVEM-KFWWJZLASA-N 2 1 249.402 2.390 20 30 BEEDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000459782714 203368105 /nfs/dbraw/zinc/36/81/05/203368105.db2.gz MWDABCWQPXXQNE-QLFBSQMISA-N 2 1 249.402 2.390 20 30 BEEDMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000070074510 371008196 /nfs/dbraw/zinc/00/81/96/371008196.db2.gz ZSLQPXDAJVLCFY-JSGCOSHPSA-N 2 1 243.354 2.117 20 30 BEEDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000070074510 371008198 /nfs/dbraw/zinc/00/81/98/371008198.db2.gz ZSLQPXDAJVLCFY-JSGCOSHPSA-N 2 1 243.354 2.117 20 30 BEEDMP C=C(C)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834573 384358568 /nfs/dbraw/zinc/35/85/68/384358568.db2.gz VTMUDIBFKGKUHD-AWEZNQCLSA-N 2 1 222.376 2.370 20 30 BEEDMP C=C(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000313510000 384440488 /nfs/dbraw/zinc/44/04/88/384440488.db2.gz ZQNREESWBVUVJL-JHJVBQTASA-N 2 1 210.365 2.271 20 30 BEEDMP N#CCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150847211 384513791 /nfs/dbraw/zinc/51/37/91/384513791.db2.gz XNLQHFBAUROQHM-CQSZACIVSA-N 2 1 235.375 2.098 20 30 BEEDMP C=C(C)COCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000163522369 384576712 /nfs/dbraw/zinc/57/67/12/384576712.db2.gz DWVZGSOPNWOLMF-LSDHHAIUSA-N 2 1 246.354 2.314 20 30 BEEDMP C#CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000157188612 385100355 /nfs/dbraw/zinc/10/03/55/385100355.db2.gz XRHVZKGCYCWJFR-GFCCVEGCSA-N 2 1 239.322 2.465 20 30 BEEDMP C=CCCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000309548018 385680917 /nfs/dbraw/zinc/68/09/17/385680917.db2.gz CNUHHWNGNHCNLL-UHFFFAOYSA-N 2 1 208.349 2.028 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H]2CCC[C@H]21 ZINC000414159844 386045557 /nfs/dbraw/zinc/04/55/57/386045557.db2.gz CBWAINNHRUEYAG-HZSPNIEDSA-N 2 1 249.402 2.389 20 30 BEEDMP C=CCOc1cccc(C[NH2+]CC2([NH3+])CCC2)c1 ZINC000414890172 386127493 /nfs/dbraw/zinc/12/74/93/386127493.db2.gz TYXWEPGSTAJIAC-UHFFFAOYSA-N 2 1 246.354 2.222 20 30 BEEDMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000347114841 386232328 /nfs/dbraw/zinc/23/23/28/386232328.db2.gz AWUPTVICZNHNSP-ZDUSSCGKSA-N 2 1 237.391 2.342 20 30 BEEDMP CC#CCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000155914893 386199731 /nfs/dbraw/zinc/19/97/31/386199731.db2.gz UKCXCRFEOMJLOU-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP CC#CCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000155914893 386199736 /nfs/dbraw/zinc/19/97/36/386199736.db2.gz UKCXCRFEOMJLOU-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP CC#CCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000155914893 386199739 /nfs/dbraw/zinc/19/97/39/386199739.db2.gz UKCXCRFEOMJLOU-AWEZNQCLSA-N 2 1 222.376 2.064 20 30 BEEDMP C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414752686 386383345 /nfs/dbraw/zinc/38/33/45/386383345.db2.gz CIMQSISUUGPSOO-MELADBBJSA-N 2 1 222.376 2.415 20 30 BEEDMP C=C(Cl)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000299526798 386463775 /nfs/dbraw/zinc/46/37/75/386463775.db2.gz DJCCFENIDXWMGH-UHFFFAOYSA-N 2 1 227.739 2.266 20 30 BEEDMP C=C(Cl)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000299526798 386463779 /nfs/dbraw/zinc/46/37/79/386463779.db2.gz DJCCFENIDXWMGH-UHFFFAOYSA-N 2 1 227.739 2.266 20 30 BEEDMP C=CCOc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000414791204 386555112 /nfs/dbraw/zinc/55/51/12/386555112.db2.gz HIPYTKDTEDPZEF-OAHLLOKOSA-N 2 1 248.370 2.324 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187058 386850324 /nfs/dbraw/zinc/85/03/24/386850324.db2.gz WVKJHXFTTAUMKB-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000645187058 386850328 /nfs/dbraw/zinc/85/03/28/386850328.db2.gz WVKJHXFTTAUMKB-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645187058 386850330 /nfs/dbraw/zinc/85/03/30/386850330.db2.gz WVKJHXFTTAUMKB-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000645187058 386850332 /nfs/dbraw/zinc/85/03/32/386850332.db2.gz WVKJHXFTTAUMKB-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP CCN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C)C#N ZINC000228756631 387124860 /nfs/dbraw/zinc/12/48/60/387124860.db2.gz WHZHWKPDYDOELD-KBPBESRZSA-N 2 1 237.391 2.342 20 30 BEEDMP C=CCC[C@H](CC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423355451 387205194 /nfs/dbraw/zinc/20/51/94/387205194.db2.gz FNGVNAAPKFGTKD-RWMBFGLXSA-N 2 1 210.365 2.319 20 30 BEEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423357521 387207675 /nfs/dbraw/zinc/20/76/75/387207675.db2.gz IFANLGGGRRHUIM-CYDGBPFRSA-N 2 1 210.365 2.175 20 30 BEEDMP C=CCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230027783 387229174 /nfs/dbraw/zinc/22/91/74/387229174.db2.gz UFFDMFVMGTUYSL-UHFFFAOYSA-N 2 1 218.344 2.414 20 30 BEEDMP CC1(C)CCC[NH2+][C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423380143 387261872 /nfs/dbraw/zinc/26/18/72/387261872.db2.gz GZHCSFXFKPCCHP-HZSPNIEDSA-N 2 1 249.402 2.437 20 30 BEEDMP C=CCCCC[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000643507688 387478947 /nfs/dbraw/zinc/47/89/47/387478947.db2.gz MSJQPUTWNJTZPR-GFCCVEGCSA-N 2 1 210.365 2.463 20 30 BEEDMP C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422983295 387792978 /nfs/dbraw/zinc/79/29/78/387792978.db2.gz SQUUCXRQVCNORW-KCQAQPDRSA-N 2 1 232.371 2.499 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442773386 387836714 /nfs/dbraw/zinc/83/67/14/387836714.db2.gz CMYINOYPEUNKIB-DZGCQCFKSA-N 2 1 247.386 2.309 20 30 BEEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442773388 387837779 /nfs/dbraw/zinc/83/77/79/387837779.db2.gz CMYINOYPEUNKIB-HIFRSBDPSA-N 2 1 247.386 2.309 20 30 BEEDMP C=C(C[NH2+][C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423033470 387849348 /nfs/dbraw/zinc/84/93/48/387849348.db2.gz WWZUFFJRBGYTDH-UONOGXRCSA-N 2 1 216.328 2.169 20 30 BEEDMP C=CCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423083399 387878701 /nfs/dbraw/zinc/87/87/01/387878701.db2.gz FZFYLYHMLXWHJA-JTQLQIEISA-N 2 1 205.305 2.111 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCCC ZINC000328123209 387908548 /nfs/dbraw/zinc/90/85/48/387908548.db2.gz RVNUVUQHQUFENG-CYBMUJFWSA-N 2 1 210.365 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCCC ZINC000328123209 387908551 /nfs/dbraw/zinc/90/85/51/387908551.db2.gz RVNUVUQHQUFENG-CYBMUJFWSA-N 2 1 210.365 2.110 20 30 BEEDMP CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCC[NH2+]1 ZINC000423172622 387958931 /nfs/dbraw/zinc/95/89/31/387958931.db2.gz UJXORNNBMQAKKH-RYUDHWBXSA-N 2 1 223.364 2.046 20 30 BEEDMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCC[C@H]21 ZINC000424335544 387978410 /nfs/dbraw/zinc/97/84/10/387978410.db2.gz WWTVIOWMCXXKFJ-VYDRJRHOSA-N 2 1 247.386 2.141 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000447539201 388077016 /nfs/dbraw/zinc/07/70/16/388077016.db2.gz FUQCGXBMLLHQOB-CBBWQLFWSA-N 2 1 247.386 2.285 20 30 BEEDMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1 ZINC000449446972 388208522 /nfs/dbraw/zinc/20/85/22/388208522.db2.gz VBXZIDDJEQNFSP-CBBWQLFWSA-N 2 1 249.402 2.389 20 30 BEEDMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000037256238 388242682 /nfs/dbraw/zinc/24/26/82/388242682.db2.gz GNZISUDSTZKDOW-GFCCVEGCSA-N 2 1 243.354 2.303 20 30 BEEDMP C#CC(C)(C)[N@@H+](C)CCC[NH+]1CCCCC1 ZINC000491362448 388288459 /nfs/dbraw/zinc/28/84/59/388288459.db2.gz SATYAKBJRRSHIQ-UHFFFAOYSA-N 2 1 222.376 2.206 20 30 BEEDMP C=CCCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397310586 388457925 /nfs/dbraw/zinc/45/79/25/388457925.db2.gz OREKIBAZYSQWMR-UPJWGTAASA-N 2 1 210.365 2.258 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)C1CCC1 ZINC000322266849 388429790 /nfs/dbraw/zinc/42/97/90/388429790.db2.gz IZSBUAZBZZQCGE-CQSZACIVSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)C1CCC1 ZINC000322266849 388429793 /nfs/dbraw/zinc/42/97/93/388429793.db2.gz IZSBUAZBZZQCGE-CQSZACIVSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000328301639 388594966 /nfs/dbraw/zinc/59/49/66/388594966.db2.gz URFJBFKPXSGRLJ-UONOGXRCSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000328301639 388594967 /nfs/dbraw/zinc/59/49/67/388594967.db2.gz URFJBFKPXSGRLJ-UONOGXRCSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC1(C)C ZINC000328319358 388603169 /nfs/dbraw/zinc/60/31/69/388603169.db2.gz YSZJIBOIHTXJRH-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC1(C)C ZINC000328319358 388603172 /nfs/dbraw/zinc/60/31/72/388603172.db2.gz YSZJIBOIHTXJRH-CYBMUJFWSA-N 2 1 222.376 2.110 20 30 BEEDMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(C#N)cc1F ZINC000423227341 388690057 /nfs/dbraw/zinc/69/00/57/388690057.db2.gz VIVZJZVHYSJWHK-VHSXEESVSA-N 2 1 235.306 2.085 20 30 BEEDMP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423335810 388691489 /nfs/dbraw/zinc/69/14/89/388691489.db2.gz UGKJMFVMQDHMQO-CQSZACIVSA-N 2 1 243.354 2.480 20 30 BEEDMP C=C(C)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000352043233 533484889 /nfs/dbraw/zinc/48/48/89/533484889.db2.gz BIXBYYNXFULFTL-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000352043233 533484893 /nfs/dbraw/zinc/48/48/93/533484893.db2.gz BIXBYYNXFULFTL-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000352043233 533484897 /nfs/dbraw/zinc/48/48/97/533484897.db2.gz BIXBYYNXFULFTL-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[N@@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000120398952 533505269 /nfs/dbraw/zinc/50/52/69/533505269.db2.gz LGKUMSUHBHVPOS-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)CC[C@@H]1CCC[N@@H+]1C ZINC000120398952 533505274 /nfs/dbraw/zinc/50/52/74/533505274.db2.gz LGKUMSUHBHVPOS-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)C[NH+](CC)CC[C@@H]1CCC[N@H+]1C ZINC000120398952 533505276 /nfs/dbraw/zinc/50/52/76/533505276.db2.gz LGKUMSUHBHVPOS-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=C(C)CC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000352004153 134034833 /nfs/dbraw/zinc/03/48/33/134034833.db2.gz OGZXPWXJVWKTRS-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000352004153 134034834 /nfs/dbraw/zinc/03/48/34/134034834.db2.gz OGZXPWXJVWKTRS-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)CC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000352004153 134034835 /nfs/dbraw/zinc/03/48/35/134034835.db2.gz OGZXPWXJVWKTRS-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000185776050 134394907 /nfs/dbraw/zinc/39/49/07/134394907.db2.gz OIPMTZYNKUDGCL-RDBSUJKOSA-N 2 1 247.386 2.143 20 30 BEEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248766275 135021335 /nfs/dbraw/zinc/02/13/35/135021335.db2.gz GXXDRQMUGPBTST-MGPQQGTHSA-N 2 1 237.391 2.389 20 30 BEEDMP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000339124628 135059126 /nfs/dbraw/zinc/05/91/26/135059126.db2.gz JJMDPNHFKWTGDY-MGPQQGTHSA-N 2 1 235.375 2.095 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252970225 135118712 /nfs/dbraw/zinc/11/87/12/135118712.db2.gz WUZLMTYQLNYEPZ-QJPTWQEYSA-N 2 1 228.767 2.249 20 30 BEEDMP Cc1[nH+]ccn1CC[NH2+]CC(C)(C)CCC#N ZINC000266208413 135363152 /nfs/dbraw/zinc/36/31/52/135363152.db2.gz NOCDXJGVAVXFAS-UHFFFAOYSA-N 2 1 234.347 2.111 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)CC=C ZINC000294869053 135377666 /nfs/dbraw/zinc/37/76/66/135377666.db2.gz COWNPCVWQFDUQF-UONOGXRCSA-N 2 1 222.376 2.132 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)CC=C ZINC000294869053 135377667 /nfs/dbraw/zinc/37/76/67/135377667.db2.gz COWNPCVWQFDUQF-UONOGXRCSA-N 2 1 222.376 2.132 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000295115343 135379150 /nfs/dbraw/zinc/37/91/50/135379150.db2.gz XVMOVVCDFXRAJB-INIZCTEOSA-N 2 1 242.366 2.219 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000295115343 135379151 /nfs/dbraw/zinc/37/91/51/135379151.db2.gz XVMOVVCDFXRAJB-INIZCTEOSA-N 2 1 242.366 2.219 20 30 BEEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000655754384 411184308 /nfs/dbraw/zinc/18/43/08/411184308.db2.gz PBUVNUCNZVIENX-ZIAGYGMSSA-N 2 1 222.376 2.417 20 30 BEEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000656787929 411367546 /nfs/dbraw/zinc/36/75/46/411367546.db2.gz ZQMNEALGFZNYCT-KGLIPLIRSA-N 2 1 222.376 2.274 20 30 BEEDMP C=CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000070593218 411336278 /nfs/dbraw/zinc/33/62/78/411336278.db2.gz RBOJDUZOHOXMQU-STQMWFEESA-N 2 1 208.349 2.027 20 30 BEEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660221 411614543 /nfs/dbraw/zinc/61/45/43/411614543.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660660221 411614544 /nfs/dbraw/zinc/61/45/44/411614544.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660221 411614545 /nfs/dbraw/zinc/61/45/45/411614545.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP CCC#C[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660660221 411614546 /nfs/dbraw/zinc/61/45/46/411614546.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 2 1 234.387 2.206 20 30 BEEDMP C=CCC1([NH2+]Cc2c[nH]cn2)CCCC1 ZINC000661852591 411902548 /nfs/dbraw/zinc/90/25/48/411902548.db2.gz ZULDJIYCYBRVJR-UHFFFAOYSA-N 2 1 205.305 2.388 20 30 BEEDMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000424377284 229160469 /nfs/dbraw/zinc/16/04/69/229160469.db2.gz QXYSBACEUXDMRC-NILFDRSVSA-N 2 1 243.354 2.479 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000308900315 487693136 /nfs/dbraw/zinc/69/31/36/487693136.db2.gz BEPZYWSQXWCFHW-QJPTWQEYSA-N 2 1 228.767 2.201 20 30 BEEDMP C=C(Cl)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000308900315 487693141 /nfs/dbraw/zinc/69/31/41/487693141.db2.gz BEPZYWSQXWCFHW-QJPTWQEYSA-N 2 1 228.767 2.201 20 30 BEEDMP C=C(C)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081568783 323176052 /nfs/dbraw/zinc/17/60/52/323176052.db2.gz BRBBWIYYJFXPER-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=C(C)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081568783 323176053 /nfs/dbraw/zinc/17/60/53/323176053.db2.gz BRBBWIYYJFXPER-ZDUSSCGKSA-N 2 1 210.365 2.226 20 30 BEEDMP C=CCCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000572494478 324132538 /nfs/dbraw/zinc/13/25/38/324132538.db2.gz XCZPDLGXWYXKNE-UHFFFAOYSA-N 2 1 221.348 2.251 20 30 BEEDMP C=CCCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000572494478 324132542 /nfs/dbraw/zinc/13/25/42/324132542.db2.gz XCZPDLGXWYXKNE-UHFFFAOYSA-N 2 1 221.348 2.251 20 30 BEEDMP C=CC(C)(C)CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000530213648 324528818 /nfs/dbraw/zinc/52/88/18/324528818.db2.gz ULVYVXYIZCPJSY-NWDGAFQWSA-N 2 1 210.365 2.176 20 30 BEEDMP C=C(CC)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000358514326 534375690 /nfs/dbraw/zinc/37/56/90/534375690.db2.gz WAEBTLGDIVXFQD-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000358514326 534375696 /nfs/dbraw/zinc/37/56/96/534375696.db2.gz WAEBTLGDIVXFQD-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358514326 534375704 /nfs/dbraw/zinc/37/57/04/534375704.db2.gz WAEBTLGDIVXFQD-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000358514326 534375708 /nfs/dbraw/zinc/37/57/08/534375708.db2.gz WAEBTLGDIVXFQD-OLZOCXBDSA-N 2 1 210.365 2.367 20 30 BEEDMP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339441106 536394719 /nfs/dbraw/zinc/39/47/19/536394719.db2.gz OAVODYIDHHRCDM-KFWWJZLASA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339441106 536394722 /nfs/dbraw/zinc/39/47/22/536394722.db2.gz OAVODYIDHHRCDM-KFWWJZLASA-N 2 1 247.386 2.096 20 30 BEEDMP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)C1 ZINC000339441106 536394724 /nfs/dbraw/zinc/39/47/24/536394724.db2.gz OAVODYIDHHRCDM-KFWWJZLASA-N 2 1 247.386 2.096 20 30 BEEDMP CCCC[NH+](C)CC#CC[N@H+](C)CCCC ZINC000472768880 528334785 /nfs/dbraw/zinc/33/47/85/528334785.db2.gz JTZRKWSSJQZNNE-UHFFFAOYSA-N 2 1 224.392 2.454 20 30 BEEDMP CC(C)(CCC#N)C[N@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353683440 534997253 /nfs/dbraw/zinc/99/72/53/534997253.db2.gz FNJUVSNYQUYODS-STQMWFEESA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)(CCC#N)C[N@@H+]1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353683440 534997258 /nfs/dbraw/zinc/99/72/58/534997258.db2.gz FNJUVSNYQUYODS-STQMWFEESA-N 2 1 235.375 2.000 20 30 BEEDMP CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000078052321 535004572 /nfs/dbraw/zinc/00/45/72/535004572.db2.gz YYHPMTKWJVGLQT-ZDUSSCGKSA-N 2 1 249.402 2.390 20 30 BEEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000872140427 583947700 /nfs/dbraw/zinc/94/77/00/583947700.db2.gz MRHULAIYOBERHW-VGWMRTNUSA-N 2 1 248.414 2.498 20 30 BEEDMP C=C(Cl)C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000729932350 584030285 /nfs/dbraw/zinc/03/02/85/584030285.db2.gz ZGUIBWMMCUWENV-LLVKDONJSA-N 2 1 225.723 2.273 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000903459329 584765913 /nfs/dbraw/zinc/76/59/13/584765913.db2.gz GUPFBOFXQSNFAC-YMAMQOFZSA-N 2 1 247.386 2.144 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000903459329 584765915 /nfs/dbraw/zinc/76/59/15/584765915.db2.gz GUPFBOFXQSNFAC-YMAMQOFZSA-N 2 1 247.386 2.144 20 30 BEEDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC1CCC(C#N)CC1 ZINC000903460666 584766535 /nfs/dbraw/zinc/76/65/35/584766535.db2.gz HFUUJQVDKTZSKF-BLYZHGLHSA-N 2 1 235.375 2.128 20 30 BEEDMP N#CC1CCC(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000903464614 584771671 /nfs/dbraw/zinc/77/16/71/584771671.db2.gz UEFWQJTVZVOLBH-WUCCLRPBSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000903452654 584771927 /nfs/dbraw/zinc/77/19/27/584771927.db2.gz PJWYBBZOLARTHO-CVSAEHQPSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000903452654 584771928 /nfs/dbraw/zinc/77/19/28/584771928.db2.gz PJWYBBZOLARTHO-CVSAEHQPSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000903452655 584772260 /nfs/dbraw/zinc/77/22/60/584772260.db2.gz PJWYBBZOLARTHO-NEXFUWMNSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000903452655 584772262 /nfs/dbraw/zinc/77/22/62/584772262.db2.gz PJWYBBZOLARTHO-NEXFUWMNSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000903452657 584772600 /nfs/dbraw/zinc/77/26/00/584772600.db2.gz PJWYBBZOLARTHO-WUCCLRPBSA-N 2 1 247.386 2.000 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000903452657 584772601 /nfs/dbraw/zinc/77/26/01/584772601.db2.gz PJWYBBZOLARTHO-WUCCLRPBSA-N 2 1 247.386 2.000 20 30 BEEDMP C=CCCC[N@@H+](CC)CCC[NH2+]C1CC1 ZINC000903850532 584808152 /nfs/dbraw/zinc/80/81/52/584808152.db2.gz TZSGCMZOAGDQDB-UHFFFAOYSA-N 2 1 210.365 2.417 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3CC[C@@]32CN)CC1 ZINC000903856585 584809400 /nfs/dbraw/zinc/80/94/00/584809400.db2.gz AEJSQFAWQPZAHM-PFSRBDOWSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856585 584809401 /nfs/dbraw/zinc/80/94/01/584809401.db2.gz AEJSQFAWQPZAHM-PFSRBDOWSA-N 2 1 247.386 2.130 20 30 BEEDMP N#CC1CCC(C[N@@H+]2CC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000903856585 584809403 /nfs/dbraw/zinc/80/94/03/584809403.db2.gz AEJSQFAWQPZAHM-PFSRBDOWSA-N 2 1 247.386 2.130 20 30 BEEDMP C#CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000766920949 585511982 /nfs/dbraw/zinc/51/19/82/585511982.db2.gz SEMMUTGYFSVDEU-ZIAGYGMSSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000766920949 585511983 /nfs/dbraw/zinc/51/19/83/585511983.db2.gz SEMMUTGYFSVDEU-ZIAGYGMSSA-N 2 1 222.376 2.062 20 30 BEEDMP C#CCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000766920949 585511984 /nfs/dbraw/zinc/51/19/84/585511984.db2.gz SEMMUTGYFSVDEU-ZIAGYGMSSA-N 2 1 222.376 2.062 20 30 BEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000809624932 586509840 /nfs/dbraw/zinc/50/98/40/586509840.db2.gz UMVIRDZZQDIQNF-BBRMVZONSA-N 2 1 242.366 2.240 20 30 BEEDMP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000809624933 586510061 /nfs/dbraw/zinc/51/00/61/586510061.db2.gz UMVIRDZZQDIQNF-CJNGLKHVSA-N 2 1 242.366 2.240 20 30 BEEDMP C#CCN(Cc1cnc(C)n1C)C1CCCC1 ZINC000824902107 587292426 /nfs/dbraw/zinc/29/24/26/587292426.db2.gz RGKSACRYKVMGRZ-UHFFFAOYSA-N 2 1 231.343 2.106 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000846172605 588259276 /nfs/dbraw/zinc/25/92/76/588259276.db2.gz ZNYCSTGQTYAYLO-CABCVRRESA-N 2 1 234.387 2.276 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000846172605 588259277 /nfs/dbraw/zinc/25/92/77/588259277.db2.gz ZNYCSTGQTYAYLO-CABCVRRESA-N 2 1 234.387 2.276 20 30 BEEDMP C=C(Cl)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000852108892 588664445 /nfs/dbraw/zinc/66/44/45/588664445.db2.gz PEJBSRWSIUYKDR-LBPRGKRZSA-N 2 1 228.767 2.157 20 30 BEEDMP C[C@@]1(C#N)CC[N@@H+](CCCCCCC[NH3+])C1 ZINC000852760382 588700380 /nfs/dbraw/zinc/70/03/80/588700380.db2.gz DXEORYOSGHGCMG-ZDUSSCGKSA-N 2 1 223.364 2.131 20 30 BEEDMP CC[N@H+](CC[NH2+]C[C@H](C)CCC#N)C(C)C ZINC000876996374 590267044 /nfs/dbraw/zinc/26/70/44/590267044.db2.gz RWKJQIUDMDXUNC-CYBMUJFWSA-N 2 1 225.380 2.246 20 30 BEEDMP CC[N@@H+](CC[NH2+]C[C@H](C)CCC#N)C(C)C ZINC000876996374 590267045 /nfs/dbraw/zinc/26/70/45/590267045.db2.gz RWKJQIUDMDXUNC-CYBMUJFWSA-N 2 1 225.380 2.246 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878512878 590583525 /nfs/dbraw/zinc/58/35/25/590583525.db2.gz SPLFDLIIMNQMKN-STQMWFEESA-N 2 1 210.365 2.367 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878661674 590604429 /nfs/dbraw/zinc/60/44/29/590604429.db2.gz GWQDCAREMBQBLY-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000878661674 590604430 /nfs/dbraw/zinc/60/44/30/590604430.db2.gz GWQDCAREMBQBLY-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000878661674 590604431 /nfs/dbraw/zinc/60/44/31/590604431.db2.gz GWQDCAREMBQBLY-UONOGXRCSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580721 590802586 /nfs/dbraw/zinc/80/25/86/590802586.db2.gz UQVCPWGFZQNYSO-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580721 590802582 /nfs/dbraw/zinc/80/25/82/590802582.db2.gz UQVCPWGFZQNYSO-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580721 590802589 /nfs/dbraw/zinc/80/25/89/590802589.db2.gz UQVCPWGFZQNYSO-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C=CCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580721 590802591 /nfs/dbraw/zinc/80/25/91/590802591.db2.gz UQVCPWGFZQNYSO-ZIAGYGMSSA-N 2 1 222.376 2.369 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879578805 590818178 /nfs/dbraw/zinc/81/81/78/590818178.db2.gz HCNLOGGEAAYZDF-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879578805 590818181 /nfs/dbraw/zinc/81/81/81/590818181.db2.gz HCNLOGGEAAYZDF-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578805 590818183 /nfs/dbraw/zinc/81/81/83/590818183.db2.gz HCNLOGGEAAYZDF-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578805 590818187 /nfs/dbraw/zinc/81/81/87/590818187.db2.gz HCNLOGGEAAYZDF-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C#CCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879704292 590852882 /nfs/dbraw/zinc/85/28/82/590852882.db2.gz NVEKFGKVWOCXOY-UHFFFAOYSA-N 2 1 236.403 2.310 20 30 BEEDMP CC#CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260072 590980626 /nfs/dbraw/zinc/98/06/26/590980626.db2.gz NBCCEVCXDMNXQS-AWEZNQCLSA-N 2 1 243.354 2.006 20 30 BEEDMP CC#CC[NH+](C)[C@H]1CC[C@H]([N@H+](C)CC#CC)CC1 ZINC000886389563 592221651 /nfs/dbraw/zinc/22/16/51/592221651.db2.gz OPDNRYYRDINMQU-WKILWMFISA-N 2 1 246.398 2.208 20 30 BEEDMP C=CC[C@H](C)[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886876108 592379987 /nfs/dbraw/zinc/37/99/87/592379987.db2.gz IZTXJGOFTRIEFW-KBPBESRZSA-N 2 1 222.376 2.417 20 30 BEEDMP CC#CCC[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134413 592449995 /nfs/dbraw/zinc/44/99/95/592449995.db2.gz JLEPEQXHRRTETD-AWEZNQCLSA-N 2 1 243.354 2.006 20 30 BEEDMP C=CCCCCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925703034 634379490 /nfs/dbraw/zinc/37/94/90/634379490.db2.gz SBAIMAVGMFIQLS-STQMWFEESA-N 2 1 210.365 2.463 20 30 BEEDMP C=CC[C@H]1CC[N@H+]1CCC[NH+](CC)CC ZINC000934461633 631857043 /nfs/dbraw/zinc/85/70/43/631857043.db2.gz NWXQYBFTYSTTDG-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[C@H]1CC[N@@H+]1CCC[NH+](CC)CC ZINC000934461633 631857046 /nfs/dbraw/zinc/85/70/46/631857046.db2.gz NWXQYBFTYSTTDG-ZDUSSCGKSA-N 2 1 210.365 2.369 20 30 BEEDMP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(F)cc1C ZINC000328062620 633228768 /nfs/dbraw/zinc/22/87/68/633228768.db2.gz BTPVPUMBMJUHQF-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(F)cc1C ZINC000328062620 633228771 /nfs/dbraw/zinc/22/87/71/633228771.db2.gz BTPVPUMBMJUHQF-UHFFFAOYSA-N 2 1 248.345 2.179 20 30 BEEDMP C#CC[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895102287 636057243 /nfs/dbraw/zinc/05/72/43/636057243.db2.gz WHIRIVPZTRNLAU-AWEZNQCLSA-N 2 1 234.387 2.064 20 30 BEEDMP CC(C)C[N@@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000314332261 635170638 /nfs/dbraw/zinc/17/06/38/635170638.db2.gz JDMJHXPRFALHGD-UHFFFAOYSA-N 2 1 248.374 2.224 20 30 BEEDMP CC(C)C[N@H+](CCC#N)CCCc1c[nH+]cn1C ZINC000314332261 635170643 /nfs/dbraw/zinc/17/06/43/635170643.db2.gz JDMJHXPRFALHGD-UHFFFAOYSA-N 2 1 248.374 2.224 20 30 BEEDMP C=C(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322729958 636878778 /nfs/dbraw/zinc/87/87/78/636878778.db2.gz TZIIZCMONWACHV-YHWZYXNKSA-N 2 1 208.349 2.167 20 30 BEEDMP C=C(C)CC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931314604 640148908 /nfs/dbraw/zinc/14/89/08/640148908.db2.gz PRXSNNDHACJUCQ-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)CC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931314604 640148918 /nfs/dbraw/zinc/14/89/18/640148918.db2.gz PRXSNNDHACJUCQ-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)CC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314604 640148924 /nfs/dbraw/zinc/14/89/24/640148924.db2.gz PRXSNNDHACJUCQ-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(C)CC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931314604 640148933 /nfs/dbraw/zinc/14/89/33/640148933.db2.gz PRXSNNDHACJUCQ-OKILXGFUSA-N 2 1 222.376 2.226 20 30 BEEDMP C=C(CC)C[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931355711 640166738 /nfs/dbraw/zinc/16/67/38/640166738.db2.gz WJSZTRASHSYNQD-UHFFFAOYSA-N 2 1 210.365 2.369 20 30 BEEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000232625265 641308494 /nfs/dbraw/zinc/30/84/94/641308494.db2.gz KODPLKAMMOTTSL-QWHCGFSZSA-N 2 1 210.365 2.271 20 30 BEEDMP C=C(Cl)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000306592184 643188784 /nfs/dbraw/zinc/18/87/84/643188784.db2.gz WFPZTPXRHWPUEI-GDPRMGEGSA-N 2 1 216.756 2.044 20 30 BEEDMP C=C(Cl)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000306592184 643188789 /nfs/dbraw/zinc/18/87/89/643188789.db2.gz WFPZTPXRHWPUEI-GDPRMGEGSA-N 2 1 216.756 2.044 20 30 BEEDMP C#CC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000829804928 645112131 /nfs/dbraw/zinc/11/21/31/645112131.db2.gz NNDSIHXRDPGPNJ-GJZGRUSLSA-N 2 1 234.387 2.206 20 30 BEEDMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C#N)CCCC1 ZINC000926874318 645469342 /nfs/dbraw/zinc/46/93/42/645469342.db2.gz ORYLYBAZPULPJK-PBWFPOADSA-N 2 1 247.386 2.000 20 30 BEEDMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CC1(C#N)CCCC1 ZINC000926874318 645469348 /nfs/dbraw/zinc/46/93/48/645469348.db2.gz ORYLYBAZPULPJK-PBWFPOADSA-N 2 1 247.386 2.000 20 30 BEEDMP C=C(CC)C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925690120 646416266 /nfs/dbraw/zinc/41/62/66/646416266.db2.gz HLKICQUGIFPSEZ-LBPRGKRZSA-N 2 1 208.349 2.217 20 30 BEEDMP C=CCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925704627 646429330 /nfs/dbraw/zinc/42/93/30/646429330.db2.gz ICKLGTONHKKDEJ-WCQYABFASA-N 2 1 204.317 2.241 20 30 BEEDMP C=CCCCC[NH2+][C@@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926200577 646593804 /nfs/dbraw/zinc/59/38/04/646593804.db2.gz USKWILXKIUGKGH-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP C=CCCCC[NH2+][C@@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926200577 646593805 /nfs/dbraw/zinc/59/38/05/646593805.db2.gz USKWILXKIUGKGH-QWHCGFSZSA-N 2 1 208.349 2.027 20 30 BEEDMP