smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001271311664 805911471 /nfs/dbraw/zinc/91/14/71/805911471.db2.gz QBTPMGAOQGTJQP-HOTGVXAUSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375567 806157960 /nfs/dbraw/zinc/15/79/60/806157960.db2.gz KTDNSOHFUMUIST-HZPDHXFCSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203154 802825314 /nfs/dbraw/zinc/82/53/14/802825314.db2.gz HKUYULCXARWZFB-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449487 811754869 /nfs/dbraw/zinc/75/48/69/811754869.db2.gz FXAQWHJODIRIAR-QGZVFWFLSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167480672 802913916 /nfs/dbraw/zinc/91/39/16/802913916.db2.gz PVIIEBFDPURAEJ-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266995631 803043989 /nfs/dbraw/zinc/04/39/89/803043989.db2.gz VRGQBYUTZSEKSU-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167610270 803197967 /nfs/dbraw/zinc/19/79/67/803197967.db2.gz RXTHNAPEJXGMIG-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299739 813401324 /nfs/dbraw/zinc/40/13/24/813401324.db2.gz ZKFXBFYDCZDVLQ-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267887943 803801908 /nfs/dbraw/zinc/80/19/08/803801908.db2.gz RTWUWULAPXIPNV-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181243 804519164 /nfs/dbraw/zinc/51/91/64/804519164.db2.gz PHKPAMVCTAJANH-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP N#CCc1ccc(Cl)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167883284 804564953 /nfs/dbraw/zinc/56/49/53/804564953.db2.gz FRLJMGYOGXMFGV-UHFFFAOYSA-N 2 0 279.775 2.081 20 30 CEEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268404003 804655902 /nfs/dbraw/zinc/65/59/02/804655902.db2.gz POIBLPPHFLJGPH-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269799043 805255516 /nfs/dbraw/zinc/25/55/16/805255516.db2.gz QESKLURWMFIMCH-MRXNPFEDSA-N 2 0 295.471 2.121 20 30 CEEDRP CC[NH+](CC)CCCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC001120483720 815227488 /nfs/dbraw/zinc/22/74/88/815227488.db2.gz BZTXSANIVJVBSE-KRWDZBQOSA-N 2 0 289.423 2.303 20 30 CEEDRP C[N@@H+]1CCCC[C@H](CNCC#Cc2ccccc2)C1 ZINC000700803088 809355897 /nfs/dbraw/zinc/35/58/97/809355897.db2.gz MZNCETNINIQSPL-QGZVFWFLSA-N 2 0 256.393 2.360 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499832 810298192 /nfs/dbraw/zinc/29/81/92/810298192.db2.gz QYULJVBUWXZFIC-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](CCCC)CC1 ZINC001121996226 815375784 /nfs/dbraw/zinc/37/57/84/815375784.db2.gz FLYQJGNQHJIOTD-HNNXBMFYSA-N 2 0 281.444 2.051 20 30 CEEDRP C#Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206014727 811603420 /nfs/dbraw/zinc/60/34/20/811603420.db2.gz XYKOIRWGTLNBBR-YOEHRIQHSA-N 2 0 256.393 2.475 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950739 812519774 /nfs/dbraw/zinc/51/97/74/812519774.db2.gz ZCTMEGWUBZFKEA-HNNXBMFYSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710859 812600363 /nfs/dbraw/zinc/60/03/63/812600363.db2.gz HDXNBLCKYVDDSF-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131799795 812729575 /nfs/dbraw/zinc/72/95/75/812729575.db2.gz VROYQSRLIGWPIE-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433037 812847063 /nfs/dbraw/zinc/84/70/63/812847063.db2.gz JRDYKJAQRQPJFH-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052499516 813001330 /nfs/dbraw/zinc/00/13/30/813001330.db2.gz WRFVHQYBQCJCGZ-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135316669 813407869 /nfs/dbraw/zinc/40/78/69/813407869.db2.gz VWLQPNQNQDXSEF-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613927 813482557 /nfs/dbraw/zinc/48/25/57/813482557.db2.gz JOUUBKANLHTZCS-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171316823 814507307 /nfs/dbraw/zinc/50/73/07/814507307.db2.gz BFECVWUDKXOTPM-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001173311609 815663611 /nfs/dbraw/zinc/66/36/11/815663611.db2.gz MOTQOQWEZMZEMN-WLYUNCDWSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001173311607 815664111 /nfs/dbraw/zinc/66/41/11/815664111.db2.gz MOTQOQWEZMZEMN-NFOMZHRRSA-N 2 0 252.402 2.042 20 30 CEEDRP COCCC1([NH3+])CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173331709 815679334 /nfs/dbraw/zinc/67/93/34/815679334.db2.gz DWHVLJNMYLTYHN-UHFFFAOYSA-N 2 0 279.428 2.289 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649211 816065063 /nfs/dbraw/zinc/06/50/63/816065063.db2.gz BGZPYTFUVYGDTQ-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930670 816493061 /nfs/dbraw/zinc/49/30/61/816493061.db2.gz PTMUOXFHSVXTME-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176998847 816505935 /nfs/dbraw/zinc/50/59/35/816505935.db2.gz HKQILMYRXNUCRD-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045900 816663756 /nfs/dbraw/zinc/66/37/56/816663756.db2.gz ZBZUACXJPJUYRW-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601334985 346823562 /nfs/dbraw/zinc/82/35/62/346823562.db2.gz PSKCJFDHDYVXOE-IRXDYDNUSA-N 2 0 269.392 2.175 20 30 CEEDRP COCC#CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000677133204 539190000 /nfs/dbraw/zinc/19/00/00/539190000.db2.gz MTIRCXBIYXYKBX-QGZVFWFLSA-N 2 0 278.440 2.224 20 30 CEEDRP CNC(NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)=[NH+]C ZINC000057887132 343640580 /nfs/dbraw/zinc/64/05/80/343640580.db2.gz BHPGLACVMYHKDE-AWEZNQCLSA-N 2 0 288.439 2.356 20 30 CEEDRP COc1cc(CN2CCCCC[C@H]([NH3+])C2)ccc1C#N ZINC000602020906 346962286 /nfs/dbraw/zinc/96/22/86/346962286.db2.gz OVHNLKVRSLYSSI-HNNXBMFYSA-N 2 0 273.380 2.270 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000602568981 347081632 /nfs/dbraw/zinc/08/16/32/347081632.db2.gz QBUAOLYVPADQBS-HYVNUMGLSA-N 2 0 293.455 2.284 20 30 CEEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320244 345466082 /nfs/dbraw/zinc/46/60/82/345466082.db2.gz BNRQVSPXVMDVOG-SMDDNHRTSA-N 2 0 261.344 2.456 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166523907 539476938 /nfs/dbraw/zinc/47/69/38/539476938.db2.gz RHZMTVQGTUDUQU-IAGOWNOFSA-N 2 0 277.456 2.243 20 30 CEEDRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595890294 345907903 /nfs/dbraw/zinc/90/79/03/345907903.db2.gz FRGWZVJMJPQKAZ-MRXNPFEDSA-N 2 0 259.397 2.406 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000595895416 345908772 /nfs/dbraw/zinc/90/87/72/345908772.db2.gz LYQDVEVNCMMOQW-INIZCTEOSA-N 2 0 257.381 2.304 20 30 CEEDRP C[C@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723121 346408940 /nfs/dbraw/zinc/40/89/40/346408940.db2.gz FEVMTKMFHAZRGN-HUUCEWRRSA-N 2 0 281.444 2.141 20 30 CEEDRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000598994835 346443245 /nfs/dbraw/zinc/44/32/45/346443245.db2.gz UAFYNPOBAKRRIM-MRXNPFEDSA-N 2 0 257.381 2.380 20 30 CEEDRP C[NH+]1CCC([C@@H]2CCN(Cc3nc(C#N)cs3)C2)CC1 ZINC000356315559 370656131 /nfs/dbraw/zinc/65/61/31/370656131.db2.gz IGHNTMXWNNFMTK-CYBMUJFWSA-N 2 0 290.436 2.178 20 30 CEEDRP C[C@H](CCC#N)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657900 347127664 /nfs/dbraw/zinc/12/76/64/347127664.db2.gz TZPUHUYHRVYZCC-WBVHZDCISA-N 2 0 292.471 2.027 20 30 CEEDRP N#Cc1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000602845878 347222878 /nfs/dbraw/zinc/22/28/78/347222878.db2.gz MNBRVVKRWGXUJV-UHFFFAOYSA-N 2 0 293.374 2.061 20 30 CEEDRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(C)(C)C#N)cc3)C[C@@H]2C1 ZINC000618765116 349038943 /nfs/dbraw/zinc/03/89/43/349038943.db2.gz HZHVRQJIDMVJMD-IYBDPMFKSA-N 2 0 283.419 2.481 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000332378144 283058597 /nfs/dbraw/zinc/05/85/97/283058597.db2.gz FMQPJGBNFQHOCR-XLNGHYISSA-N 2 0 291.439 2.036 20 30 CEEDRP C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401191 541408662 /nfs/dbraw/zinc/40/86/62/541408662.db2.gz IHDBEYHRQBBLCP-LZWOXQAQSA-N 2 0 266.429 2.166 20 30 CEEDRP C(#Cc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000191946637 369755933 /nfs/dbraw/zinc/75/59/33/369755933.db2.gz BTRMDWWSXSVZFL-UHFFFAOYSA-N 2 0 298.430 2.082 20 30 CEEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252858251 371484531 /nfs/dbraw/zinc/48/45/31/371484531.db2.gz LUWODUSFCORUMP-HRCADAONSA-N 2 0 255.365 2.117 20 30 CEEDRP C=CCN1CC[C@](O)(C[N@H+](CC=C)Cc2ccccc2)C1 ZINC000639963204 371700202 /nfs/dbraw/zinc/70/02/02/371700202.db2.gz VBPHLFKEFMGTML-GOSISDBHSA-N 2 0 286.419 2.297 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000264105569 371971113 /nfs/dbraw/zinc/97/11/13/371971113.db2.gz PKCFVIHUPIUFED-CYBMUJFWSA-N 2 0 290.411 2.296 20 30 CEEDRP C[N@@H+]1CC[C@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000312681901 376723756 /nfs/dbraw/zinc/72/37/56/376723756.db2.gz LCQMYWNXDAZXAK-INIZCTEOSA-N 2 0 273.355 2.225 20 30 CEEDRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243073 377162137 /nfs/dbraw/zinc/16/21/37/377162137.db2.gz GDIWBXDEBYCULR-NWDGAFQWSA-N 2 0 261.344 2.348 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423242705 377162661 /nfs/dbraw/zinc/16/26/61/377162661.db2.gz FQQWZPDYZZYKIV-BLLLJJGKSA-N 2 0 255.365 2.135 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423513792 377271343 /nfs/dbraw/zinc/27/13/43/377271343.db2.gz RMMLBKNDKMKDOJ-MJVIPROJSA-N 2 0 261.344 2.475 20 30 CEEDRP CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270612168 394736653 /nfs/dbraw/zinc/73/66/53/394736653.db2.gz YKANMXOJYJHNHV-GXFFZTMASA-N 2 0 298.793 2.006 20 30 CEEDRP CC(C)CCNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267453612 394679878 /nfs/dbraw/zinc/67/98/78/394679878.db2.gz SBVNMCBXKOUZBN-UHFFFAOYSA-N 2 0 294.418 2.338 20 30 CEEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000268070939 394688901 /nfs/dbraw/zinc/68/89/01/394688901.db2.gz JXWXTHDDAWAKHV-CQSZACIVSA-N 2 0 274.412 2.391 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005822 394936590 /nfs/dbraw/zinc/93/65/90/394936590.db2.gz BWQFTFQEENCWSS-BZUAXINKSA-N 2 0 261.413 2.486 20 30 CEEDRP C[C@H]([NH2+]CCOCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086200 394942045 /nfs/dbraw/zinc/94/20/45/394942045.db2.gz ZPOKLZJOTUIPIC-LSDHHAIUSA-N 2 0 279.428 2.159 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000152941112 394999880 /nfs/dbraw/zinc/99/98/80/394999880.db2.gz QVZFJJFBOKZKIL-GDBMZVCRSA-N 3 0 265.445 2.099 20 30 CEEDRP C#CC[N@@H+](CCn1ccnc1C)Cc1ccccc1 ZINC000285607937 394961268 /nfs/dbraw/zinc/96/12/68/394961268.db2.gz JPTGUDSYBSSKQD-UHFFFAOYSA-N 2 0 253.349 2.327 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289685886 395083902 /nfs/dbraw/zinc/08/39/02/395083902.db2.gz HZISHMBYTZWCAM-BHYGNILZSA-N 2 0 274.408 2.034 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372353664 395040576 /nfs/dbraw/zinc/04/05/76/395040576.db2.gz HCNGMSXTRWYGON-HRCADAONSA-N 2 0 266.429 2.432 20 30 CEEDRP C#Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000290487854 395105285 /nfs/dbraw/zinc/10/52/85/395105285.db2.gz VTPQMEYPNFPTND-IAGOWNOFSA-N 2 0 254.377 2.194 20 30 CEEDRP C=C(C)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000351735294 395232725 /nfs/dbraw/zinc/23/27/25/395232725.db2.gz MBUADEKHJTYKQV-UHFFFAOYSA-N 2 0 279.472 2.443 20 30 CEEDRP C=C(C)CC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000351843782 395237753 /nfs/dbraw/zinc/23/77/53/395237753.db2.gz HTIOCAFZKGCOSJ-IRXDYDNUSA-N 2 0 279.472 2.443 20 30 CEEDRP Cc1nccn1CCN1Cc2cccc(C#N)c2C1 ZINC000405079128 395288055 /nfs/dbraw/zinc/28/80/55/395288055.db2.gz JWWOZFJZXCINPA-UHFFFAOYSA-N 2 0 252.321 2.079 20 30 CEEDRP C[C@@H](CCC#N)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000411522245 395330131 /nfs/dbraw/zinc/33/01/31/395330131.db2.gz DIVGNWITTISVOC-INIZCTEOSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[N@H+](CC1CCCCC1)C[C@@](C)(O)C[NH2+]C ZINC000572049331 395585338 /nfs/dbraw/zinc/58/53/38/395585338.db2.gz SBZLZHKUHUIOQR-HNNXBMFYSA-N 2 0 254.418 2.025 20 30 CEEDRP CN(Cc1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574336235 395628245 /nfs/dbraw/zinc/62/82/45/395628245.db2.gz AXQIHRTYDRPMOL-XYPWUTKMSA-N 2 0 270.380 2.010 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000651676847 401369972 /nfs/dbraw/zinc/36/99/72/401369972.db2.gz PRQQADMZTSLODS-IRXDYDNUSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000651677656 401370322 /nfs/dbraw/zinc/37/03/22/401370322.db2.gz PGQRHJITQZZBHT-ZACQAIPSSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347521 401490581 /nfs/dbraw/zinc/49/05/81/401490581.db2.gz CXUSBRPFEYSVTF-KKUMJFAQSA-N 2 0 252.402 2.171 20 30 CEEDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C#N)o3)C2)CC1 ZINC000366956656 156109154 /nfs/dbraw/zinc/10/91/54/156109154.db2.gz VMIZKYGQYZMMJY-UHFFFAOYSA-N 2 0 273.380 2.459 20 30 CEEDRP C=CCCn1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)nn1 ZINC000657291893 414836097 /nfs/dbraw/zinc/83/60/97/414836097.db2.gz AAMHYHKLVLQVTR-UHFFFAOYSA-N 2 0 291.443 2.253 20 30 CEEDRP C=CCCn1cc(CNCC(C)(C)C[NH+]2CCCC2)nn1 ZINC000657449081 414942234 /nfs/dbraw/zinc/94/22/34/414942234.db2.gz ZDQHXKDPZWNBLY-UHFFFAOYSA-N 2 0 291.443 2.066 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000661114800 415101849 /nfs/dbraw/zinc/10/18/49/415101849.db2.gz MONALUYMTXKCHU-ILXRZTDVSA-N 2 0 254.418 2.024 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285172 415675068 /nfs/dbraw/zinc/67/50/68/415675068.db2.gz FSOUOZMQUUIRLH-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[C@@]1(C(=O)N(CC)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662794626 415963865 /nfs/dbraw/zinc/96/38/65/415963865.db2.gz PEXUKHGUIIMQFD-KRWDZBQOSA-N 2 0 295.471 2.265 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272446675 263004563 /nfs/dbraw/zinc/00/45/63/263004563.db2.gz VNWFLRXSGJATRK-UHFFFAOYSA-N 2 0 290.411 2.154 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414960490 263164706 /nfs/dbraw/zinc/16/47/06/263164706.db2.gz QVWQPZYPUNQGPN-BBRMVZONSA-N 2 0 260.381 2.339 20 30 CEEDRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423337866 270899710 /nfs/dbraw/zinc/89/97/10/270899710.db2.gz HSHRVMMZVMJGPH-NSHDSACASA-N 2 0 259.328 2.268 20 30 CEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350954209 277770366 /nfs/dbraw/zinc/77/03/66/277770366.db2.gz YIQRJESXKSYXOC-OAHLLOKOSA-N 2 0 295.471 2.073 20 30 CEEDRP C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186702383 327700265 /nfs/dbraw/zinc/70/02/65/327700265.db2.gz GNJMIIJEXUQCTL-ZBFHGGJFSA-N 2 0 292.423 2.215 20 30 CEEDRP C=C(C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339660484 328012570 /nfs/dbraw/zinc/01/25/70/328012570.db2.gz HAIDNERCVZRRDK-YIONKMFJSA-N 2 0 252.402 2.136 20 30 CEEDRP C=CCOc1ccc(CN[C@@H](C[NH3+])C2CC2)cc1OC ZINC000414814186 328232563 /nfs/dbraw/zinc/23/25/63/328232563.db2.gz ZCBPEDNYFOQFOT-AWEZNQCLSA-N 2 0 276.380 2.087 20 30 CEEDRP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCC[NH+]2CCCC2)O1 ZINC000378448106 329050788 /nfs/dbraw/zinc/05/07/88/329050788.db2.gz BPFVTQXYEXXILN-VQHPVUNQSA-N 2 0 291.439 2.302 20 30 CEEDRP CC#CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177494429 329184935 /nfs/dbraw/zinc/18/49/35/329184935.db2.gz GTCGDGZORVURSX-HZPDHXFCSA-N 2 0 278.440 2.221 20 30 CEEDRP C=CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000132681468 329648250 /nfs/dbraw/zinc/64/82/50/329648250.db2.gz IBCNVNNPRHMGLB-HZPDHXFCSA-N 2 0 265.445 2.053 20 30 CEEDRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000262301888 330005091 /nfs/dbraw/zinc/00/50/91/330005091.db2.gz QLIDRIPUFJRGNC-ZDUSSCGKSA-N 2 0 282.338 2.032 20 30 CEEDRP [NH2+]=C(NCC1CCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262809870 330033326 /nfs/dbraw/zinc/03/33/26/330033326.db2.gz NYTIVFCKSFGIIL-MRXNPFEDSA-N 2 0 292.471 2.488 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000422911460 330160196 /nfs/dbraw/zinc/16/01/96/330160196.db2.gz SWXNSRBVVMOAMP-VNQPRFMTSA-N 2 0 290.407 2.093 20 30 CEEDRP COC[C@@H](CCC[NH3+])[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422994128 330163271 /nfs/dbraw/zinc/16/32/71/330163271.db2.gz HARLSKQOFDBZHO-HZPDHXFCSA-N 2 0 275.396 2.375 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423036130 330166511 /nfs/dbraw/zinc/16/65/11/330166511.db2.gz ZYORAHNQWUKTDX-OKZBNKHCSA-N 2 0 286.419 2.447 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423036128 330166617 /nfs/dbraw/zinc/16/66/17/330166617.db2.gz ZYORAHNQWUKTDX-FGTMMUONSA-N 2 0 286.419 2.447 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423105657 330170591 /nfs/dbraw/zinc/17/05/91/330170591.db2.gz ZDYLOSVHFBVXNF-JDFRZJQESA-N 2 0 289.423 2.481 20 30 CEEDRP C=CCC[C@@H](CCC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423447429 330202667 /nfs/dbraw/zinc/20/26/67/330202667.db2.gz ZQSKGZTXQKYQEJ-HUUCEWRRSA-N 2 0 254.418 2.480 20 30 CEEDRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424178206 330318065 /nfs/dbraw/zinc/31/80/65/330318065.db2.gz WDXAMFVUJDMBLC-HNNXBMFYSA-N 2 0 288.395 2.016 20 30 CEEDRP C#CCCCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000090397907 330392205 /nfs/dbraw/zinc/39/22/05/330392205.db2.gz WXLIZMBMUSJGGJ-UHFFFAOYSA-N 2 0 271.408 2.439 20 30 CEEDRP C[NH+](C)C1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449225726 330907499 /nfs/dbraw/zinc/90/74/99/330907499.db2.gz VAKANYCRTSLJDX-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](C)C1CCSCC1 ZINC000491073502 332147106 /nfs/dbraw/zinc/14/71/06/332147106.db2.gz ZYQJLJNRWNRCJC-CYBMUJFWSA-N 2 0 254.443 2.063 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186585668 333163245 /nfs/dbraw/zinc/16/32/45/333163245.db2.gz HEWFINOFKOOTJL-JYJNAYRXSA-N 2 0 267.461 2.203 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000247950154 334292061 /nfs/dbraw/zinc/29/20/61/334292061.db2.gz DYZCVTCSYVRBNC-RDJZCZTQSA-N 2 0 279.472 2.347 20 30 CEEDRP N#CCC[C@H](C#N)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000552788152 334344914 /nfs/dbraw/zinc/34/49/14/334344914.db2.gz OUIKXJBYIIZBSD-MRXNPFEDSA-N 2 0 297.406 2.331 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000352013548 526447145 /nfs/dbraw/zinc/44/71/45/526447145.db2.gz JMSSRMMLNZBSPW-HNNXBMFYSA-N 2 0 254.418 2.385 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669914 527465611 /nfs/dbraw/zinc/46/56/11/527465611.db2.gz KHPIXXYZSLQRHJ-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000728712095 574468846 /nfs/dbraw/zinc/46/88/46/574468846.db2.gz ZOMWLAXYTRMEOS-UKRRQHHQSA-N 2 0 273.380 2.161 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC000970453501 613864791 /nfs/dbraw/zinc/86/47/91/613864791.db2.gz RTMAMQQIZFIJFW-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@@](C)(CC)C2)C1 ZINC000261659133 623424485 /nfs/dbraw/zinc/42/44/85/623424485.db2.gz AVIXGEWJYFXBLP-NVXWUHKLSA-N 2 0 294.487 2.416 20 30 CEEDRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000104172227 624320489 /nfs/dbraw/zinc/32/04/89/624320489.db2.gz GZFJRNMRCQQPGP-CYBMUJFWSA-N 2 0 290.411 2.152 20 30 CEEDRP C=CC[C@H]1CC[N@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460335 624510485 /nfs/dbraw/zinc/51/04/85/624510485.db2.gz PBBAHHLBDBSDRY-ROUUACIJSA-N 2 0 286.419 2.274 20 30 CEEDRP CC1(C)[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710668 628559796 /nfs/dbraw/zinc/55/97/96/628559796.db2.gz BQAPKQYHHVLUKD-IXDOHACOSA-N 2 0 283.419 2.467 20 30 CEEDRP C=CCN1CCC([NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924984897 629321765 /nfs/dbraw/zinc/32/17/65/629321765.db2.gz YMUGVQFJAUZKNO-DLBZAZTESA-N 2 0 277.456 2.243 20 30 CEEDRP CCC(CC)[C@@H](CNC(=[NH2+])N(CC)CC)[NH+](C)C ZINC000303784942 629665165 /nfs/dbraw/zinc/66/51/65/629665165.db2.gz PXXYXQWGPYJZIQ-CYBMUJFWSA-N 2 0 256.438 2.009 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC000894861550 629700736 /nfs/dbraw/zinc/70/07/36/629700736.db2.gz UWXAWQLDOACLMU-QGZVFWFLSA-N 2 0 256.393 2.360 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000895786430 630344767 /nfs/dbraw/zinc/34/47/67/630344767.db2.gz SFOJZINNDJRENG-UHFFFAOYSA-N 2 0 271.408 2.374 20 30 CEEDRP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989079817 631723350 /nfs/dbraw/zinc/72/33/50/631723350.db2.gz YAEJGMXWSOSDSF-OCCSQVGLSA-N 2 0 298.390 2.021 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000815652566 633043546 /nfs/dbraw/zinc/04/35/46/633043546.db2.gz IGMHHWBWDXKQIL-HKUYNNGSSA-N 2 0 299.462 2.052 20 30 CEEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000817916724 633776252 /nfs/dbraw/zinc/77/62/52/633776252.db2.gz AZNXZQCQCKCZFH-SWLSCSKDSA-N 2 0 273.380 2.065 20 30 CEEDRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902969864 634913618 /nfs/dbraw/zinc/91/36/18/634913618.db2.gz HWFUEKNIAVPFHG-INIZCTEOSA-N 2 0 275.396 2.177 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737624 638386534 /nfs/dbraw/zinc/38/65/34/638386534.db2.gz XEFDGALQZJQPIB-HUUCEWRRSA-N 2 0 283.460 2.275 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912507187 638712820 /nfs/dbraw/zinc/71/28/20/638712820.db2.gz XCBYVHQKHCEYIQ-ZDUSSCGKSA-N 2 0 280.460 2.214 20 30 CEEDRP COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1C#N ZINC000841033492 639624845 /nfs/dbraw/zinc/62/48/45/639624845.db2.gz PDJWXILHUNBPNQ-UHFFFAOYSA-N 2 0 295.386 2.358 20 30 CEEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913500 639685610 /nfs/dbraw/zinc/68/56/10/639685610.db2.gz JOQLLXFMHLLCLM-KBPBESRZSA-N 2 0 289.427 2.176 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877019978 650533667 /nfs/dbraw/zinc/53/36/67/650533667.db2.gz VRVBFFNOWNQUEM-UHFFFAOYSA-N 2 0 292.814 2.428 20 30 CEEDRP C#CCCCCCC[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000877158551 650602860 /nfs/dbraw/zinc/60/28/60/650602860.db2.gz KFLXUNJZXAEMSG-UHFFFAOYSA-N 2 0 279.472 2.186 20 30 CEEDRP CN(C)C(NCc1ccccc1)=[NH+]CCC[NH2+]C(C)(C)C ZINC000848994128 642214329 /nfs/dbraw/zinc/21/43/29/642214329.db2.gz VDHMNUYOZGRFRK-UHFFFAOYSA-N 2 0 290.455 2.472 20 30 CEEDRP CN1CCC[NH+]=C1NCCCCCCC[NH+]1CCCC1 ZINC000848997120 642216510 /nfs/dbraw/zinc/21/65/10/642216510.db2.gz VRIHRQLHHPAPKC-UHFFFAOYSA-N 2 0 280.460 2.314 20 30 CEEDRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000923424985 643703916 /nfs/dbraw/zinc/70/39/16/643703916.db2.gz VVBBCPKSSVDXIA-DLTLXFJOSA-N 2 0 287.407 2.039 20 30 CEEDRP C[C@H](C#N)OCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212422 645422050 /nfs/dbraw/zinc/42/20/50/645422050.db2.gz JMPCIMXRWLARMV-CQSZACIVSA-N 2 0 275.396 2.109 20 30 CEEDRP C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212991 645422073 /nfs/dbraw/zinc/42/20/73/645422073.db2.gz SECUJOYBZKEMQN-INIZCTEOSA-N 2 0 262.397 2.117 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000805281067 645618619 /nfs/dbraw/zinc/61/86/19/645618619.db2.gz JWNSOVYVKAJTGI-UHFFFAOYSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247758 649608162 /nfs/dbraw/zinc/60/81/62/649608162.db2.gz TZUBOFQJFDSNHB-UONOGXRCSA-N 2 0 299.422 2.416 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000873275670 649621539 /nfs/dbraw/zinc/62/15/39/649621539.db2.gz MXMYRZMZINSDFV-VDHUWJSZSA-N 2 0 281.403 2.003 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290528 649629021 /nfs/dbraw/zinc/62/90/21/649629021.db2.gz FMJNXEIEFTUAFX-CABCVRRESA-N 2 0 266.429 2.480 20 30 CEEDRP C#CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878324331 651067991 /nfs/dbraw/zinc/06/79/91/651067991.db2.gz LDFFICHYIFAENZ-ZWKOTPCHSA-N 2 0 291.483 2.138 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000878864657 651200494 /nfs/dbraw/zinc/20/04/94/651200494.db2.gz JULNZAMSXGSIJT-QGZVFWFLSA-N 2 0 299.418 2.009 20 30 CEEDRP C[NH+](C)C1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001168319770 806651211 /nfs/dbraw/zinc/65/12/11/806651211.db2.gz XXUCRLBLOWUYOW-JXQTWKCFSA-N 2 0 280.437 2.133 20 30 CEEDRP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001266845115 802936683 /nfs/dbraw/zinc/93/66/83/802936683.db2.gz UNUXCXNBOUFVIV-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299754 813401633 /nfs/dbraw/zinc/40/16/33/813401633.db2.gz ZOZJZFCQCHZFNC-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299742 813401969 /nfs/dbraw/zinc/40/19/69/813401969.db2.gz ZKFXBFYDCZDVLQ-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299751 813402002 /nfs/dbraw/zinc/40/20/02/813402002.db2.gz ZOZJZFCQCHZFNC-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267225096 803252337 /nfs/dbraw/zinc/25/23/37/803252337.db2.gz OYSBXFWACDOMIJ-UHFFFAOYSA-N 2 0 295.471 2.121 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(CC#N)c1 ZINC001167754251 803841216 /nfs/dbraw/zinc/84/12/16/803841216.db2.gz PUQRYHNXWROHJG-CQSZACIVSA-N 2 0 272.396 2.246 20 30 CEEDRP C=CCC[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784564 804136353 /nfs/dbraw/zinc/13/63/53/804136353.db2.gz UNHNFAINJCKCLA-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027917575 804340460 /nfs/dbraw/zinc/34/04/60/804340460.db2.gz CDGGDGDDQMAPRJ-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028334464 804718765 /nfs/dbraw/zinc/71/87/65/804718765.db2.gz AQBZTSVEJNOGOO-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP N#CC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167977215 805511668 /nfs/dbraw/zinc/51/16/68/805511668.db2.gz ANXYOWMEZMGGCD-SVFSVNPNSA-N 2 0 259.397 2.284 20 30 CEEDRP C=CCC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001284070639 807062418 /nfs/dbraw/zinc/06/24/18/807062418.db2.gz JNXVZIPOIFARHU-NVXWUHKLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)CCCC[NH+](C)C)CCCCC1 ZINC001120033194 815190570 /nfs/dbraw/zinc/19/05/70/815190570.db2.gz XGRWUOLYTFGCJR-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527774 809624788 /nfs/dbraw/zinc/62/47/88/809624788.db2.gz HUIUXWDTQNYPIA-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001121991745 815374348 /nfs/dbraw/zinc/37/43/48/815374348.db2.gz ZKHYUFCEKDDEIQ-JKSUJKDBSA-N 2 0 295.471 2.298 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[NH+](C)C ZINC001172292715 815383285 /nfs/dbraw/zinc/38/32/85/815383285.db2.gz QSCOXVUKQNDCNY-AWEZNQCLSA-N 2 0 259.397 2.421 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001085332033 810725227 /nfs/dbraw/zinc/72/52/27/810725227.db2.gz IPPUMUOWIKQVEE-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329544 811110761 /nfs/dbraw/zinc/11/07/61/811110761.db2.gz YFBQAHTYRUBZOA-HZPDHXFCSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329538 811111048 /nfs/dbraw/zinc/11/10/48/811111048.db2.gz YFBQAHTYRUBZOA-CVEARBPZSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377539 812837200 /nfs/dbraw/zinc/83/72/00/812837200.db2.gz YFUJTGCQCSCCLN-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410839 812843204 /nfs/dbraw/zinc/84/32/04/812843204.db2.gz OYIRAWDFQUDQSR-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132433035 812847307 /nfs/dbraw/zinc/84/73/07/812847307.db2.gz JRDYKJAQRQPJFH-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132893004 812956800 /nfs/dbraw/zinc/95/68/00/812956800.db2.gz GKVGRIKZBVNHJQ-HOTGVXAUSA-N 2 0 297.487 2.393 20 30 CEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052428184 812991516 /nfs/dbraw/zinc/99/15/16/812991516.db2.gz FNIMEHVQRYYKGZ-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133906183 813174835 /nfs/dbraw/zinc/17/48/35/813174835.db2.gz PBXCWWLOONDXEZ-UHFFFAOYSA-N 2 0 297.487 2.417 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274126 813754692 /nfs/dbraw/zinc/75/46/92/813754692.db2.gz PKQGTSYIVIQYCU-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299688 813998216 /nfs/dbraw/zinc/99/82/16/813998216.db2.gz UHSNHXZYAHEQDV-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C[C@@H]1C[C@H](N2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246593970 814185941 /nfs/dbraw/zinc/18/59/41/814185941.db2.gz UQOCMZYVDGXLFW-MLGOLLRUSA-N 2 0 255.365 2.057 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829669 814195938 /nfs/dbraw/zinc/19/59/38/814195938.db2.gz GHAKPKNXQUZQDN-QQFBHYJXSA-N 2 0 295.471 2.167 20 30 CEEDRP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206210393 815778203 /nfs/dbraw/zinc/77/82/03/815778203.db2.gz KGWHQCRPJWGZFA-JKSUJKDBSA-N 2 0 275.371 2.382 20 30 CEEDRP Cc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1C#N ZINC001139726094 816096574 /nfs/dbraw/zinc/09/65/74/816096574.db2.gz RJUQZYJWRYVXTC-UHFFFAOYSA-N 2 0 269.392 2.394 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)Cn1ccnc1C ZINC001176147077 816347479 /nfs/dbraw/zinc/34/74/79/816347479.db2.gz IGQUUCSSQVVPRC-UHFFFAOYSA-N 2 0 294.443 2.258 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164336 816365132 /nfs/dbraw/zinc/36/51/32/816365132.db2.gz ARNZOOPSHXETTP-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176590877 816437370 /nfs/dbraw/zinc/43/73/70/816437370.db2.gz DSJDJTCSWXRTPP-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178755175 816792028 /nfs/dbraw/zinc/79/20/28/816792028.db2.gz NCJOEPFCZIRPRS-INIZCTEOSA-N 2 0 297.487 2.415 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179550423 816878586 /nfs/dbraw/zinc/87/85/86/816878586.db2.gz WEVVYWMDXDWASF-GJZGRUSLSA-N 2 0 295.471 2.119 20 30 CEEDRP CC[NH+]1CCC(C[NH2+][C@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602550281 347073247 /nfs/dbraw/zinc/07/32/47/347073247.db2.gz LKTXTVFLJUKGQC-OAHLLOKOSA-N 2 0 293.455 2.407 20 30 CEEDRP C[N@@H+](Cc1cccc(F)c1C#N)CC1CC[NH+](C)CC1 ZINC000589984788 345107630 /nfs/dbraw/zinc/10/76/30/345107630.db2.gz ZYXSGQIYWJCBJY-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000591573262 345265139 /nfs/dbraw/zinc/26/51/39/345265139.db2.gz CEOBJZYSGQZART-TZMCWYRMSA-N 2 0 263.772 2.429 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000591578403 345265836 /nfs/dbraw/zinc/26/58/36/345265836.db2.gz ZKQREQTVOHROIQ-GDBMZVCRSA-N 2 0 255.365 2.277 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579982 345266695 /nfs/dbraw/zinc/26/66/95/345266695.db2.gz DFXWUUXPOVZLLB-ABAIWWIYSA-N 2 0 273.355 2.490 20 30 CEEDRP C[C@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000591580672 345266964 /nfs/dbraw/zinc/26/69/64/345266964.db2.gz JLPHXTXQOPDUPE-JEYLPNPQSA-N 2 0 257.381 2.327 20 30 CEEDRP N#Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492195 345360325 /nfs/dbraw/zinc/36/03/25/345360325.db2.gz VOUXQIMSMVBRHM-HUUCEWRRSA-N 2 0 284.407 2.165 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593314276 345465627 /nfs/dbraw/zinc/46/56/27/345465627.db2.gz BOFKHBVYSJWTDX-BZSNNMDCSA-N 2 0 299.418 2.277 20 30 CEEDRP C[C@H]1C[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324148 345466607 /nfs/dbraw/zinc/46/66/07/345466607.db2.gz YNLRBQSKIRYVJG-STQMWFEESA-N 2 0 255.365 2.262 20 30 CEEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000594512223 345640758 /nfs/dbraw/zinc/64/07/58/345640758.db2.gz VIKKMXXVQUDDBR-UKPHBRMFSA-N 2 0 269.392 2.475 20 30 CEEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000594512221 345641028 /nfs/dbraw/zinc/64/10/28/345641028.db2.gz VIKKMXXVQUDDBR-LXZKKBNFSA-N 2 0 269.392 2.475 20 30 CEEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000598994525 346443373 /nfs/dbraw/zinc/44/33/73/346443373.db2.gz PQSSYEKYXGFMAN-INIZCTEOSA-N 2 0 257.381 2.380 20 30 CEEDRP Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1C#N ZINC000600708478 346675219 /nfs/dbraw/zinc/67/52/19/346675219.db2.gz CYKNRQHQFAIAQV-UHFFFAOYSA-N 2 0 269.392 2.442 20 30 CEEDRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600709071 346675245 /nfs/dbraw/zinc/67/52/45/346675245.db2.gz NYPZCYMZLVHIHD-XIRDDKMYSA-N 2 0 269.392 2.426 20 30 CEEDRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C#N ZINC000600710652 346675657 /nfs/dbraw/zinc/67/56/57/346675657.db2.gz PWCCEBHRBBLAJS-XJKSGUPXSA-N 2 0 257.381 2.283 20 30 CEEDRP Cc1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1C#N ZINC000600711643 346675868 /nfs/dbraw/zinc/67/58/68/346675868.db2.gz UCEKIICVOYOVKM-UHFFFAOYSA-N 2 0 257.381 2.428 20 30 CEEDRP C=CCC1([NH2+]C[C@H](O)C[N@@H+](C)CC)CCCCC1 ZINC000625934772 350608878 /nfs/dbraw/zinc/60/88/78/350608878.db2.gz ZIEGGXAUMYBKMX-AWEZNQCLSA-N 2 0 254.418 2.168 20 30 CEEDRP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579837 351420525 /nfs/dbraw/zinc/42/05/25/351420525.db2.gz KBWAXYKREOHFEQ-QZTJIDSGSA-N 2 0 288.435 2.220 20 30 CEEDRP N#CCSCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000074991406 363432493 /nfs/dbraw/zinc/43/24/93/363432493.db2.gz WEBXMILKFOUAOG-ILXRZTDVSA-N 2 0 279.453 2.049 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133651835 366243245 /nfs/dbraw/zinc/24/32/45/366243245.db2.gz HHDAAYUFUAXDOP-CKEIUWERSA-N 2 0 287.407 2.255 20 30 CEEDRP C#CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821226 364110390 /nfs/dbraw/zinc/11/03/90/364110390.db2.gz RHRKBTCRTGSTKA-UHFFFAOYSA-N 2 0 257.381 2.253 20 30 CEEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000335498935 364793217 /nfs/dbraw/zinc/79/32/17/364793217.db2.gz ZFCJPFGQYLPXOV-CGZBRXJRSA-N 2 0 269.392 2.342 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343618564 367919904 /nfs/dbraw/zinc/91/99/04/367919904.db2.gz TVSJUPURHVUKCT-RHSMWYFYSA-N 2 0 271.408 2.421 20 30 CEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CCC(C)(C)C#N ZINC000344131698 368110052 /nfs/dbraw/zinc/11/00/52/368110052.db2.gz OFKLLKCNDDEZAE-UHFFFAOYSA-N 2 0 294.487 2.276 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246354356 370949269 /nfs/dbraw/zinc/94/92/69/370949269.db2.gz HYPURKMMCYWRQX-HOTGVXAUSA-N 2 0 285.391 2.153 20 30 CEEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000635020879 369057515 /nfs/dbraw/zinc/05/75/15/369057515.db2.gz NEDCWYOIXSUVAF-HZSPNIEDSA-N 2 0 254.418 2.321 20 30 CEEDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190956785 369663408 /nfs/dbraw/zinc/66/34/08/369663408.db2.gz CIGLYEGQPLLJAJ-CQSZACIVSA-N 2 0 274.412 2.107 20 30 CEEDRP CC[NH+]1CCC(CC[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000191207750 369691070 /nfs/dbraw/zinc/69/10/70/369691070.db2.gz VCZFUNNTJDGBKT-UHFFFAOYSA-N 2 0 274.412 2.108 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000246933555 371033022 /nfs/dbraw/zinc/03/30/22/371033022.db2.gz HEXBIJOVQJUJQP-HOTGVXAUSA-N 2 0 281.444 2.407 20 30 CEEDRP C=C(CC)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000358620672 371141221 /nfs/dbraw/zinc/14/12/21/371141221.db2.gz PAQPCWIXDNHKOE-UHFFFAOYSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCC1([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CCOCC1 ZINC000639313928 371219577 /nfs/dbraw/zinc/21/95/77/371219577.db2.gz BJXUJOWYTPGYCD-UONOGXRCSA-N 2 0 252.402 2.184 20 30 CEEDRP CCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000264130648 371975600 /nfs/dbraw/zinc/97/56/00/371975600.db2.gz XXCKOTZSZLLNJH-UHFFFAOYSA-N 2 0 288.439 2.487 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367614752 373167106 /nfs/dbraw/zinc/16/71/06/373167106.db2.gz IFHVFCXADBWIRJ-KFWWJZLASA-N 2 0 252.402 2.042 20 30 CEEDRP CCN(C)CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000286279618 375896872 /nfs/dbraw/zinc/89/68/72/375896872.db2.gz VRUIZQJPURVSGL-UHFFFAOYSA-N 2 0 286.423 2.068 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423218461 377133640 /nfs/dbraw/zinc/13/36/40/377133640.db2.gz VOMDMXFQXGDZOD-MRXNPFEDSA-N 2 0 298.434 2.116 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423242707 377162162 /nfs/dbraw/zinc/16/21/62/377162162.db2.gz FQQWZPDYZZYKIV-MLGOLLRUSA-N 2 0 255.365 2.135 20 30 CEEDRP C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000359504565 394758577 /nfs/dbraw/zinc/75/85/77/394758577.db2.gz CNBFOZRESBRQCD-IAGOWNOFSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000338570440 394923217 /nfs/dbraw/zinc/92/32/17/394923217.db2.gz MHBUAIIQHRWMSC-UHFFFAOYSA-N 2 0 266.429 2.387 20 30 CEEDRP C#C[C@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289081214 395069930 /nfs/dbraw/zinc/06/99/30/395069930.db2.gz AXWIULYJSFKMTF-HNNXBMFYSA-N 2 0 285.435 2.328 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)CCC#N ZINC000374253225 395077874 /nfs/dbraw/zinc/07/78/74/395077874.db2.gz GIVBZVFQMXNPSI-BZUAXINKSA-N 2 0 293.455 2.500 20 30 CEEDRP C=CCOc1ccc(CN2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347004680 395116171 /nfs/dbraw/zinc/11/61/71/395116171.db2.gz AMURVMLMLLUQAR-OAHLLOKOSA-N 2 0 290.407 2.301 20 30 CEEDRP C[NH+](C)CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353382003 395295700 /nfs/dbraw/zinc/29/57/00/395295700.db2.gz HHWQNGSEGDNAFY-MRXNPFEDSA-N 2 0 257.381 2.477 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429892 395296618 /nfs/dbraw/zinc/29/66/18/395296618.db2.gz VDIMEIAZVUVNKF-PBHICJAKSA-N 2 0 269.392 2.477 20 30 CEEDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442784146 395395129 /nfs/dbraw/zinc/39/51/29/395395129.db2.gz RKEQDAWLGDBQHR-ZBFHGGJFSA-N 2 0 287.407 2.409 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000572344350 395585959 /nfs/dbraw/zinc/58/59/59/395585959.db2.gz VXCONXZFDYXXIA-RDJZCZTQSA-N 2 0 278.440 2.432 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000651750323 401383267 /nfs/dbraw/zinc/38/32/67/401383267.db2.gz CWIWYCIGGQCYPF-IAGOWNOFSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000651794290 401393284 /nfs/dbraw/zinc/39/32/84/401393284.db2.gz PZDUBDUDFZYTCD-CVEARBPZSA-N 2 0 279.472 2.347 20 30 CEEDRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191464052 153176643 /nfs/dbraw/zinc/17/66/43/153176643.db2.gz NDYCOLYIWMEHBN-AWEZNQCLSA-N 2 0 297.406 2.085 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000661116739 415104000 /nfs/dbraw/zinc/10/40/00/415104000.db2.gz ZRFNGPNJVLDCKP-OWCLPIDISA-N 2 0 268.445 2.412 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665263093 415656389 /nfs/dbraw/zinc/65/63/89/415656389.db2.gz GCNAKNMYGSMGPZ-KFWWJZLASA-N 2 0 252.402 2.089 20 30 CEEDRP C=CC[C@]1(C(=O)N[C@H](C)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662658921 415923752 /nfs/dbraw/zinc/92/37/52/415923752.db2.gz MOXJVATZBBYOPW-NVXWUHKLSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCOc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414826810 263055709 /nfs/dbraw/zinc/05/57/09/263055709.db2.gz JQFAIYBJHJFYDQ-HNNXBMFYSA-N 2 0 260.381 2.341 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415042253 263257421 /nfs/dbraw/zinc/25/74/21/263257421.db2.gz QOAUFPVDFIHTHO-HIFRSBDPSA-N 2 0 260.381 2.468 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423105555 270838268 /nfs/dbraw/zinc/83/82/68/270838268.db2.gz QSSXNZONJHGZDV-HZPDHXFCSA-N 2 0 257.381 2.208 20 30 CEEDRP N#CCSCCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173897861 329153488 /nfs/dbraw/zinc/15/34/88/329153488.db2.gz VNMSKTGYUAPRFL-AWEZNQCLSA-N 2 0 267.442 2.051 20 30 CEEDRP C=CCOc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414828648 328232966 /nfs/dbraw/zinc/23/29/66/328232966.db2.gz JDKXREZHOYNCLB-AWEZNQCLSA-N 2 0 260.381 2.341 20 30 CEEDRP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000377543216 329018300 /nfs/dbraw/zinc/01/83/00/329018300.db2.gz QCHHKZWNCBBEGP-IRXDYDNUSA-N 2 0 254.377 2.384 20 30 CEEDRP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCC[NH+]2CCCC2)O1 ZINC000378448101 329050749 /nfs/dbraw/zinc/05/07/49/329050749.db2.gz BPFVTQXYEXXILN-NCOADZHNSA-N 2 0 291.439 2.302 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000572363942 330004693 /nfs/dbraw/zinc/00/46/93/330004693.db2.gz MKUMBFKUKALKRG-OLZOCXBDSA-N 2 0 278.396 2.475 20 30 CEEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)N1 ZINC000262682520 330026786 /nfs/dbraw/zinc/02/67/86/330026786.db2.gz WWAIJJBAJOCXLB-YRGRVCCFSA-N 2 0 292.452 2.068 20 30 CEEDRP NC(=[NH2+])NCCC[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000267134703 330064709 /nfs/dbraw/zinc/06/47/09/330064709.db2.gz DHKFTMOLGRNPIW-UHFFFAOYSA-N 2 0 296.418 2.352 20 30 CEEDRP C=CC[NH+]1CCC(N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422854693 330157812 /nfs/dbraw/zinc/15/78/12/330157812.db2.gz BFPCVBUQNZIYKQ-IRXDYDNUSA-N 2 0 271.408 2.371 20 30 CEEDRP C=CCC1(C[NH2+][C@@H](CCC[NH3+])COC)CCCC1 ZINC000423160681 330173738 /nfs/dbraw/zinc/17/37/38/330173738.db2.gz MPALZWFODYMMJQ-AWEZNQCLSA-N 2 0 254.418 2.466 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000424383810 330349579 /nfs/dbraw/zinc/34/95/79/330349579.db2.gz UKRDIAWQIIXDCS-SRMUXQRQSA-N 2 0 258.365 2.312 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000248481556 334303691 /nfs/dbraw/zinc/30/36/91/334303691.db2.gz BGIGFKVRBOBWFI-DJIMGWMZSA-N 2 0 274.408 2.176 20 30 CEEDRP C=CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000352258379 527326556 /nfs/dbraw/zinc/32/65/56/527326556.db2.gz WGWZSENIPYAJSK-GASCZTMLSA-N 2 0 266.429 2.384 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000728712093 574468834 /nfs/dbraw/zinc/46/88/34/574468834.db2.gz ZOMWLAXYTRMEOS-DZGCQCFKSA-N 2 0 273.380 2.161 20 30 CEEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000742368384 575017464 /nfs/dbraw/zinc/01/74/64/575017464.db2.gz FKBWAXYCWRFPEV-HNNXBMFYSA-N 2 0 287.407 2.388 20 30 CEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981228912 613872006 /nfs/dbraw/zinc/87/20/06/613872006.db2.gz PRJLZRPYJRVEST-LSDHHAIUSA-N 2 0 298.390 2.151 20 30 CEEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(CC#N)cc1 ZINC000926625582 625514726 /nfs/dbraw/zinc/51/47/26/625514726.db2.gz DUAUXXVVFJOLBA-SJPCQFCGSA-N 2 0 269.392 2.182 20 30 CEEDRP C=C(C)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820824883 634542492 /nfs/dbraw/zinc/54/24/92/634542492.db2.gz WKWLTPQVRBWOIC-VHRNVKJDSA-N 2 0 264.413 2.327 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001026522687 628348522 /nfs/dbraw/zinc/34/85/22/628348522.db2.gz TUYLKTNGEDIDNL-UHFFFAOYSA-N 2 0 298.390 2.151 20 30 CEEDRP C=C1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925834186 628929830 /nfs/dbraw/zinc/92/98/30/628929830.db2.gz GKZGLTAYIQVWSA-BRWVUGGUSA-N 2 0 278.440 2.480 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843689 628946352 /nfs/dbraw/zinc/94/63/52/628946352.db2.gz GXOFTYASIXHFHL-HOTGVXAUSA-N 2 0 267.461 2.252 20 30 CEEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262026701 629449944 /nfs/dbraw/zinc/44/99/44/629449944.db2.gz ZNRYTRDJHIGCNB-LBPRGKRZSA-N 2 0 268.449 2.200 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895292230 630080274 /nfs/dbraw/zinc/08/02/74/630080274.db2.gz NPLDUARTCUNZAP-ZIAGYGMSSA-N 2 0 267.417 2.015 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000900321248 633671794 /nfs/dbraw/zinc/67/17/94/633671794.db2.gz QKLHAYDKWPGBGQ-PBHICJAKSA-N 2 0 295.471 2.121 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000817934663 633787070 /nfs/dbraw/zinc/78/70/70/633787070.db2.gz AIZAWGRXMFEFLO-ZDUSSCGKSA-N 2 0 258.365 2.101 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000817969067 633811620 /nfs/dbraw/zinc/81/16/20/633811620.db2.gz QPTMBQCAVYKUBH-HOCLYGCPSA-N 2 0 272.392 2.491 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000817976143 633818389 /nfs/dbraw/zinc/81/83/89/633818389.db2.gz HJNZBDFKESGOEJ-CJNGLKHVSA-N 2 0 285.391 2.382 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000817980407 633823007 /nfs/dbraw/zinc/82/30/07/633823007.db2.gz AOZIOTNEARPZLS-SQWLQELKSA-N 2 0 272.392 2.477 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817981575 633824884 /nfs/dbraw/zinc/82/48/84/633824884.db2.gz LHIJLWKEZCRGJF-YDHLFZDLSA-N 2 0 273.380 2.367 20 30 CEEDRP N#CCc1cccc2c1CC[N@@H+](C[C@H]1CC[C@@H]([NH3+])C1)C2 ZINC000903474544 635143664 /nfs/dbraw/zinc/14/36/64/635143664.db2.gz OFPVDOMUNBHJHJ-XJKSGUPXSA-N 2 0 269.392 2.238 20 30 CEEDRP Cc1cc(C#N)cc(C)c1CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000903559969 635163548 /nfs/dbraw/zinc/16/35/48/635163548.db2.gz PKMJTHHXZJBCRC-HNNXBMFYSA-N 2 0 257.381 2.344 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723917 635237046 /nfs/dbraw/zinc/23/70/46/635237046.db2.gz ZJVLUADLQCPGSH-MSOLQXFVSA-N 2 0 286.419 2.443 20 30 CEEDRP C=CC[C@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933796 635359171 /nfs/dbraw/zinc/35/91/71/635359171.db2.gz VNOUTHNHCLNKGH-HOTGVXAUSA-N 2 0 290.455 2.134 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@@]1(C)CCC[NH2+]C1 ZINC000904384223 635606563 /nfs/dbraw/zinc/60/65/63/635606563.db2.gz HJKQYNJZMNNURX-KRWDZBQOSA-N 2 0 271.408 2.422 20 30 CEEDRP C[C@H]1C[C@H](C[N@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469185 635647496 /nfs/dbraw/zinc/64/74/96/635647496.db2.gz JHZKGZIGAZNKKE-NWDGAFQWSA-N 2 0 263.410 2.440 20 30 CEEDRP C#C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CCOCC1 ZINC000827566628 636356021 /nfs/dbraw/zinc/35/60/21/636356021.db2.gz XAYGBHGGLSFWTI-INIZCTEOSA-N 2 0 278.440 2.267 20 30 CEEDRP CN(C(=[NH2+])NCc1ccccc1C[NH+]1CCCC1)C1CC1 ZINC000181461170 641555162 /nfs/dbraw/zinc/55/51/62/641555162.db2.gz OECLDNQPLBKKNU-UHFFFAOYSA-N 2 0 286.423 2.191 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001000381595 642597509 /nfs/dbraw/zinc/59/75/09/642597509.db2.gz ZPAFLMJIWMHWMQ-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507512 643744406 /nfs/dbraw/zinc/74/44/06/643744406.db2.gz QEACHCZPESPONE-DOTOQJQBSA-N 2 0 280.456 2.415 20 30 CEEDRP C=CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592692 644696103 /nfs/dbraw/zinc/69/61/03/644696103.db2.gz VVZRCHKOIBXPHZ-MRXNPFEDSA-N 2 0 275.396 2.172 20 30 CEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000857234389 644864863 /nfs/dbraw/zinc/86/48/63/644864863.db2.gz JXLZOIJDCBBTAL-CQSZACIVSA-N 2 0 281.444 2.140 20 30 CEEDRP CC[N@H+](CCO[C@H](C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997978 645672524 /nfs/dbraw/zinc/67/25/24/645672524.db2.gz UOEHARMWOVSCRG-OAHLLOKOSA-N 2 0 289.423 2.499 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000769943390 646338070 /nfs/dbraw/zinc/33/80/70/646338070.db2.gz KORLJHKCOXSLRV-IAGOWNOFSA-N 2 0 298.434 2.220 20 30 CEEDRP CSCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000794574801 648886816 /nfs/dbraw/zinc/88/68/16/648886816.db2.gz QIXCCBLMJXGSCG-UHFFFAOYSA-N 2 0 293.436 2.152 20 30 CEEDRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000873218965 649594573 /nfs/dbraw/zinc/59/45/73/649594573.db2.gz BGLDLDYTGJMHQU-RDJZCZTQSA-N 2 0 298.434 2.068 20 30 CEEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239136 649605394 /nfs/dbraw/zinc/60/53/94/649605394.db2.gz OPFPXELMAZIEAI-KBPBESRZSA-N 2 0 286.423 2.242 20 30 CEEDRP C#CCCCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000878690308 651165087 /nfs/dbraw/zinc/16/50/87/651165087.db2.gz SNCMAGYPVQEOIX-UHFFFAOYSA-N 2 0 279.472 2.186 20 30 CEEDRP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579908 651326477 /nfs/dbraw/zinc/32/64/77/651326477.db2.gz QDCFMOCGXKXRDG-DLBZAZTESA-N 2 0 269.392 2.127 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001088688341 806588680 /nfs/dbraw/zinc/58/86/80/806588680.db2.gz FWVLHARWMAYCCM-CJNGLKHVSA-N 2 0 298.390 2.021 20 30 CEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001266495157 802630961 /nfs/dbraw/zinc/63/09/61/802630961.db2.gz IDFVHGQEBAGIOC-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@H]1C ZINC001215516454 802822231 /nfs/dbraw/zinc/82/22/31/802822231.db2.gz IKPKFYKGWIKYDM-OAGGEKHMSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266816750 802919074 /nfs/dbraw/zinc/91/90/74/802919074.db2.gz ITODEXYSJSFLEL-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266854455 802944032 /nfs/dbraw/zinc/94/40/32/802944032.db2.gz PJCNXXWWNZQYBV-INIZCTEOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879735 804316226 /nfs/dbraw/zinc/31/62/26/804316226.db2.gz XCUFHXOPCWGEFK-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181241 804518631 /nfs/dbraw/zinc/51/86/31/804518631.db2.gz PHKPAMVCTAJANH-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP N#Cc1ccc(-c2ccc(NC(=[NH2+])NCCCC[NH3+])cc2)o1 ZINC001167881944 804564571 /nfs/dbraw/zinc/56/45/71/804564571.db2.gz NJKQEYYEIVUACQ-UHFFFAOYSA-N 2 0 297.362 2.493 20 30 CEEDRP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268797810 804974737 /nfs/dbraw/zinc/97/47/37/804974737.db2.gz YLWOATGNOBDHTD-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001269092092 805044847 /nfs/dbraw/zinc/04/48/47/805044847.db2.gz LLMXWGDSVGFZSB-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269980590 805301003 /nfs/dbraw/zinc/30/10/03/805301003.db2.gz HECFQRJVZYDBLC-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001270215294 805373807 /nfs/dbraw/zinc/37/38/07/805373807.db2.gz AHQGUFJQECNHRG-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP CCCCCCCCN1CCO[C@@]2(C1)C[NH2+]CCOC2 ZINC001234997043 807758924 /nfs/dbraw/zinc/75/89/24/807758924.db2.gz HYKSNEWJGXKXJO-MRXNPFEDSA-N 2 0 284.444 2.038 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579586 815200847 /nfs/dbraw/zinc/20/08/47/815200847.db2.gz XONVQGXAFBWSJI-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128784504 809462794 /nfs/dbraw/zinc/46/27/94/809462794.db2.gz NOAPIURDWPIITR-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397818 809600499 /nfs/dbraw/zinc/60/04/99/809600499.db2.gz LUEIIKNMBBEYBP-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH2+]C)cc1 ZINC001118057065 809820510 /nfs/dbraw/zinc/82/05/10/809820510.db2.gz AANIATZDNIHVOJ-ZIAGYGMSSA-N 2 0 260.381 2.347 20 30 CEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001039294551 811005881 /nfs/dbraw/zinc/00/58/81/811005881.db2.gz IGBFZMLOMXLCOF-UYTSQGDYSA-N 2 0 293.455 2.014 20 30 CEEDRP C[C@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@H]1C[NH3+] ZINC001205996099 811306045 /nfs/dbraw/zinc/30/60/45/811306045.db2.gz UTVJUPHZRAOFOR-KBPBESRZSA-N 2 0 257.381 2.365 20 30 CEEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@H]1C[NH3+] ZINC001205996100 811306610 /nfs/dbraw/zinc/30/66/10/811306610.db2.gz UTVJUPHZRAOFOR-KGLIPLIRSA-N 2 0 257.381 2.365 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001113305531 812213919 /nfs/dbraw/zinc/21/39/19/812213919.db2.gz UHMCVMCYSCUQBM-JKSUJKDBSA-N 2 0 295.471 2.072 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052712362 812450093 /nfs/dbraw/zinc/45/00/93/812450093.db2.gz HLXAJLJQAZVVSE-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052717738 812452749 /nfs/dbraw/zinc/45/27/49/812452749.db2.gz YOXINVDELUUPTH-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052955876 812478891 /nfs/dbraw/zinc/47/88/91/812478891.db2.gz KTVIQPPVFDLNTI-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377540 812837119 /nfs/dbraw/zinc/83/71/19/812837119.db2.gz YFUJTGCQCSCCLN-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285769 813024222 /nfs/dbraw/zinc/02/42/22/813024222.db2.gz HWUPZHYFZGLVGI-UHFFFAOYSA-N 2 0 283.460 2.004 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888794 813341421 /nfs/dbraw/zinc/34/14/21/813341421.db2.gz PFNVDQMLQXWJHI-OLZOCXBDSA-N 2 0 286.379 2.007 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475475 813442671 /nfs/dbraw/zinc/44/26/71/813442671.db2.gz AVZICTCMEZYCTM-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135478042 813446967 /nfs/dbraw/zinc/44/69/67/813446967.db2.gz UIUAKECEZSWHCM-CVEARBPZSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071686019 813465237 /nfs/dbraw/zinc/46/52/37/813465237.db2.gz LZGTYQGCARYBSC-DZGCQCFKSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C[NH2+]C(C)(C)C)C(C)C ZINC001136649730 813733665 /nfs/dbraw/zinc/73/36/65/813733665.db2.gz CGBYYHWWRALZNE-HNNXBMFYSA-N 2 0 295.471 2.189 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074939588 813869748 /nfs/dbraw/zinc/86/97/48/813869748.db2.gz IDVRESYWPRBBLJ-JYJNAYRXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614598 814300918 /nfs/dbraw/zinc/30/09/18/814300918.db2.gz YWYGJKAFJBOCOT-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP CC[N@@H+]1CC[C@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001173360660 815701006 /nfs/dbraw/zinc/70/10/06/815701006.db2.gz QSMXMSCYWJGBAX-HNNXBMFYSA-N 2 0 282.391 2.281 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873884 816300181 /nfs/dbraw/zinc/30/01/81/816300181.db2.gz NXMFJQKYASVKST-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025117 816326925 /nfs/dbraw/zinc/32/69/25/816326925.db2.gz XZWZSVDPZKDOFA-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164337 816364810 /nfs/dbraw/zinc/36/48/10/816364810.db2.gz ARNZOOPSHXETTP-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176268550 816385449 /nfs/dbraw/zinc/38/54/49/816385449.db2.gz KTHVTZANZGSEQS-INIZCTEOSA-N 2 0 295.471 2.006 20 30 CEEDRP C[NH+](C)CCCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001206297783 816541521 /nfs/dbraw/zinc/54/15/21/816541521.db2.gz YPCABUYSUURRAB-KRWDZBQOSA-N 2 0 287.407 2.101 20 30 CEEDRP C#CCC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001179489424 816867016 /nfs/dbraw/zinc/86/70/16/816867016.db2.gz NLOVBVNHEUFKMB-QGZVFWFLSA-N 2 0 278.440 2.147 20 30 CEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001179561697 816874199 /nfs/dbraw/zinc/87/41/99/816874199.db2.gz XXUXHFJWLKXFEI-INIZCTEOSA-N 2 0 295.471 2.006 20 30 CEEDRP C[NH+](C)CCC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602450015 347037558 /nfs/dbraw/zinc/03/75/58/347037558.db2.gz OODSMEZLGOOVHG-UHFFFAOYSA-N 2 0 272.396 2.117 20 30 CEEDRP CCN1CC[NH+](CCCC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602510050 347061824 /nfs/dbraw/zinc/06/18/24/347061824.db2.gz IQKILOQXMCGJOK-UHFFFAOYSA-N 2 0 292.471 2.076 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000592470743 345358576 /nfs/dbraw/zinc/35/85/76/345358576.db2.gz GRMNHKNBFOQOSN-HZPDHXFCSA-N 2 0 257.381 2.360 20 30 CEEDRP C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000595328955 345762985 /nfs/dbraw/zinc/76/29/85/345762985.db2.gz CQJXRLKKMKPAOY-QGZVFWFLSA-N 2 0 271.408 2.374 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000595895803 345909383 /nfs/dbraw/zinc/90/93/83/345909383.db2.gz VTXDJKKJGMMDFS-QZTJIDSGSA-N 2 0 283.419 2.422 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652366 346072227 /nfs/dbraw/zinc/07/22/27/346072227.db2.gz SSNLCDTXEZBFSP-CJNGLKHVSA-N 2 0 257.381 2.078 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596878 346381109 /nfs/dbraw/zinc/38/11/09/346381109.db2.gz USPJGNDQXYRQTO-KKUMJFAQSA-N 2 0 281.444 2.092 20 30 CEEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598680517 346400336 /nfs/dbraw/zinc/40/03/36/346400336.db2.gz ZHZDXJMTJFQJRD-WBVHZDCISA-N 2 0 269.392 2.380 20 30 CEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699647 346403205 /nfs/dbraw/zinc/40/32/05/346403205.db2.gz HFRCMRSJYISLJP-XHSDSOJGSA-N 2 0 295.471 2.245 20 30 CEEDRP C[C@@H](CC[NH2+]C[C@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723122 346408862 /nfs/dbraw/zinc/40/88/62/346408862.db2.gz FEVMTKMFHAZRGN-LSDHHAIUSA-N 2 0 281.444 2.141 20 30 CEEDRP C[N@@H+]1CCCC[C@H](CNCc2cc(C#N)cs2)C1 ZINC000598993983 346443684 /nfs/dbraw/zinc/44/36/84/346443684.db2.gz FPKNOIKAYNTIGH-GFCCVEGCSA-N 2 0 263.410 2.441 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105051 365824908 /nfs/dbraw/zinc/82/49/08/365824908.db2.gz GVQFZXJVLKSFEW-WMZOPIPTSA-N 2 0 299.418 2.353 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000600712172 346675780 /nfs/dbraw/zinc/67/57/80/346675780.db2.gz VKWBNMQRKFWKET-MRXNPFEDSA-N 2 0 285.391 2.033 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868637 186144474 /nfs/dbraw/zinc/14/44/74/186144474.db2.gz NEZZEANEGMZOII-HZPDHXFCSA-N 2 0 285.391 2.305 20 30 CEEDRP C[N@H+](CCCSCC#N)CC[C@@H]1CCCC[NH+]1C ZINC000080629390 363675781 /nfs/dbraw/zinc/67/57/81/363675781.db2.gz LJDDMAYNIZSVOG-AWEZNQCLSA-N 2 0 269.458 2.439 20 30 CEEDRP CCC(CC)[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+](C)C ZINC000170910421 367447538 /nfs/dbraw/zinc/44/75/38/367447538.db2.gz RTWHTNAKHJFELG-CYBMUJFWSA-N 2 0 277.416 2.175 20 30 CEEDRP C=CCC[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343942144 368082599 /nfs/dbraw/zinc/08/25/99/368082599.db2.gz UTHRJKBUJVAXFA-AWEZNQCLSA-N 2 0 277.412 2.466 20 30 CEEDRP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000234800147 370542607 /nfs/dbraw/zinc/54/26/07/370542607.db2.gz IVNNVQPKEFYTLJ-OAHLLOKOSA-N 2 0 275.396 2.372 20 30 CEEDRP C[N@@H+]1CCC[C@H]2CN(CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967043 371149683 /nfs/dbraw/zinc/14/96/83/371149683.db2.gz IENDDQIQQNWPAL-DLBZAZTESA-N 2 0 299.418 2.353 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCSCC#N)CC[C@H]21 ZINC000248159909 371165619 /nfs/dbraw/zinc/16/56/19/371165619.db2.gz RZCUEAOXLLILQV-UONOGXRCSA-N 2 0 267.442 2.049 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1C#N ZINC000261600960 371672856 /nfs/dbraw/zinc/67/28/56/371672856.db2.gz ZKXCUFSTOAOSMD-JYJNAYRXSA-N 2 0 285.391 2.126 20 30 CEEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263252824 371932427 /nfs/dbraw/zinc/93/24/27/371932427.db2.gz PMWUOIXREPXSIQ-CQSZACIVSA-N 2 0 298.434 2.109 20 30 CEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264085748 371966787 /nfs/dbraw/zinc/96/67/87/371966787.db2.gz JQPIXOVVKVANNQ-UHFFFAOYSA-N 2 0 262.401 2.372 20 30 CEEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264286276 371989688 /nfs/dbraw/zinc/98/96/88/371989688.db2.gz OWNZQXOEMOFABI-LBPRGKRZSA-N 2 0 278.400 2.152 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479661 373145369 /nfs/dbraw/zinc/14/53/69/373145369.db2.gz YSLASPCOMPXAEJ-NVXWUHKLSA-N 2 0 288.391 2.035 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+]C2CC(C#N)(c3ccccc3)C2)CC1 ZINC000368424564 373240268 /nfs/dbraw/zinc/24/02/68/373240268.db2.gz LOVNGUKVISDWNG-UHFFFAOYSA-N 2 0 281.403 2.462 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274815422 374058937 /nfs/dbraw/zinc/05/89/37/374058937.db2.gz ZADKOZRGKZTCSQ-KBAYOESNSA-N 2 0 288.435 2.424 20 30 CEEDRP COc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000282404310 375476203 /nfs/dbraw/zinc/47/62/03/375476203.db2.gz RTVVIWLTHWUHJI-OAHLLOKOSA-N 2 0 287.407 2.340 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCn2cncc2C1 ZINC000329385800 376957402 /nfs/dbraw/zinc/95/74/02/376957402.db2.gz SDGHQNJQCUICMI-KGLIPLIRSA-N 2 0 290.411 2.276 20 30 CEEDRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423216345 377132349 /nfs/dbraw/zinc/13/23/49/377132349.db2.gz RTRDTEJNUGSMMB-NEPJUHHUSA-N 2 0 261.344 2.348 20 30 CEEDRP C=CC[N@@H+](C)CCN(CC)CCC[NH+]1CCCCC1 ZINC000429709718 377518775 /nfs/dbraw/zinc/51/87/75/377518775.db2.gz AECUAOSZTOVCEO-UHFFFAOYSA-N 2 0 267.461 2.302 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000436303706 377823012 /nfs/dbraw/zinc/82/30/12/377823012.db2.gz CIWUOEIDFIHYPG-XGUBFFRZSA-N 2 0 252.402 2.040 20 30 CEEDRP C=CCC[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449701381 378222219 /nfs/dbraw/zinc/22/22/19/378222219.db2.gz WCNZOJDJJWLGCJ-CQSZACIVSA-N 2 0 254.418 2.166 20 30 CEEDRP C(#CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000472604393 380074350 /nfs/dbraw/zinc/07/43/50/380074350.db2.gz PIFNMSQREDLXFB-XLAORIBOSA-N 2 0 272.436 2.454 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)[NH+](C)C)c1 ZINC000104155029 394718614 /nfs/dbraw/zinc/71/86/14/394718614.db2.gz LCZWSDMTKMMWRN-UHFFFAOYSA-N 2 0 262.401 2.370 20 30 CEEDRP C=CCOCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000338954348 394933951 /nfs/dbraw/zinc/93/39/51/394933951.db2.gz NUEDAZPPZSYJTA-HZPDHXFCSA-N 2 0 296.455 2.010 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000651452850 401338992 /nfs/dbraw/zinc/33/89/92/401338992.db2.gz IITNSRFIAAQBPC-YUELXQCFSA-N 2 0 252.402 2.040 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000651679398 401370901 /nfs/dbraw/zinc/37/09/01/401370901.db2.gz ZNNASVLVQDYZLW-CVEARBPZSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000651709487 401375860 /nfs/dbraw/zinc/37/58/60/401375860.db2.gz YMGUAAAIHBRDMP-BRWVUGGUSA-N 2 0 291.483 2.489 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000227328372 153342971 /nfs/dbraw/zinc/34/29/71/153342971.db2.gz PFQPUUOSUNNOOT-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP C=CCOCCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665263246 415656418 /nfs/dbraw/zinc/65/64/18/415656418.db2.gz JBESXFFAYOBDMK-LBPRGKRZSA-N 2 0 263.385 2.092 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285166 415674972 /nfs/dbraw/zinc/67/49/72/415674972.db2.gz FNXPSNDTWIQIJL-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[C@@]1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662679641 415929064 /nfs/dbraw/zinc/92/90/64/415929064.db2.gz AOAFHMGIFPBDFD-KRWDZBQOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[C@]1(C(=O)NC2CC[NH+](CCCC)CC2)CCC[NH2+]1 ZINC000662700472 415935418 /nfs/dbraw/zinc/93/54/18/415935418.db2.gz POYXDIZTULXXLW-QGZVFWFLSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000666951045 419487842 /nfs/dbraw/zinc/48/78/42/419487842.db2.gz ZIEAFBCKHWNLEX-MRXNPFEDSA-N 2 0 272.392 2.483 20 30 CEEDRP C[NH+]=C(NCc1ccccc1C[NH+]1CCCC1)NC1CC1 ZINC000171408794 261463869 /nfs/dbraw/zinc/46/38/69/261463869.db2.gz VTSOYXARXXPJPJ-UHFFFAOYSA-N 2 0 286.423 2.110 20 30 CEEDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCSCC#N)C1 ZINC000336803433 262395727 /nfs/dbraw/zinc/39/57/27/262395727.db2.gz YLJVRKRPJPAGCO-OAHLLOKOSA-N 2 0 281.469 2.297 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288694759 263105402 /nfs/dbraw/zinc/10/54/02/263105402.db2.gz KJRUOFBFFCREGZ-NSHDSACASA-N 2 0 282.338 2.176 20 30 CEEDRP CSC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC[NH+](C)CC1 ZINC000353652565 263308307 /nfs/dbraw/zinc/30/83/07/263308307.db2.gz AYMTXITZHVIDBT-CHWSQXEVSA-N 2 0 267.442 2.096 20 30 CEEDRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128665 277158060 /nfs/dbraw/zinc/15/80/60/277158060.db2.gz HGSGXQIEAYYUCW-IAGOWNOFSA-N 2 0 269.392 2.474 20 30 CEEDRP N#Cc1cccc(C2([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000567179636 313890582 /nfs/dbraw/zinc/89/05/82/313890582.db2.gz NMCAEWUTHWMXMJ-GJZGRUSLSA-N 2 0 255.365 2.407 20 30 CEEDRP N#CCc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000571642188 328169131 /nfs/dbraw/zinc/16/91/31/328169131.db2.gz AFXPXLUIEZTMHC-UHFFFAOYSA-N 2 0 257.381 2.360 20 30 CEEDRP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC1CCCCCC1 ZINC000263215444 330049641 /nfs/dbraw/zinc/04/96/41/330049641.db2.gz ZTRJMASCAPPQAH-UHFFFAOYSA-N 2 0 285.395 2.461 20 30 CEEDRP C=C[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987832 330162910 /nfs/dbraw/zinc/16/29/10/330162910.db2.gz HLLYVCDDOFRMHJ-NOLJZWGESA-N 2 0 258.365 2.406 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422972651 330164652 /nfs/dbraw/zinc/16/46/52/330164652.db2.gz ACOWISKDQGRJCP-HOCLYGCPSA-N 2 0 265.445 2.134 20 30 CEEDRP N#CCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033954 330166257 /nfs/dbraw/zinc/16/62/57/330166257.db2.gz PGRLFRDWYGGGLT-GDBMZVCRSA-N 2 0 271.364 2.136 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523084 330210083 /nfs/dbraw/zinc/21/00/83/330210083.db2.gz VJTQPDBYSQCAHL-NJINODPHSA-N 2 0 279.472 2.393 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000424294069 330335680 /nfs/dbraw/zinc/33/56/80/330335680.db2.gz JTCKSUWOTXGSFR-RBZJEDDUSA-N 2 0 264.413 2.040 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000449134763 330901195 /nfs/dbraw/zinc/90/11/95/330901195.db2.gz LGXGOMXJVFFZTM-HOTGVXAUSA-N 2 0 267.461 2.347 20 30 CEEDRP N#C[C@@H]1CCC[C@@H]1[NH2+]C/C=C\C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459480889 331284164 /nfs/dbraw/zinc/28/41/64/331284164.db2.gz PTLPQFLTETVCLK-UYRVCGCOSA-N 2 0 272.396 2.106 20 30 CEEDRP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491070392 332145929 /nfs/dbraw/zinc/14/59/29/332145929.db2.gz BHZGPHWXMJBGIP-MJGOQNOKSA-N 2 0 299.462 2.367 20 30 CEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000491744420 332322587 /nfs/dbraw/zinc/32/25/87/332322587.db2.gz ZGDBCAWURVCIOV-UHFFFAOYSA-N 2 0 272.396 2.195 20 30 CEEDRP C=CCC[C@H](CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186602617 333163524 /nfs/dbraw/zinc/16/35/24/333163524.db2.gz DDDKZBNMXKGFTI-HOTGVXAUSA-N 2 0 267.461 2.347 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000231799192 333329946 /nfs/dbraw/zinc/32/99/46/333329946.db2.gz PUHGGABHSRXDEO-HRCADAONSA-N 2 0 266.429 2.480 20 30 CEEDRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)ccc1C#N ZINC000415007201 533879689 /nfs/dbraw/zinc/87/96/89/533879689.db2.gz RALXCPQPORWDNH-IUODEOHRSA-N 2 0 273.380 2.174 20 30 CEEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000347040588 526902124 /nfs/dbraw/zinc/90/21/24/526902124.db2.gz KRZOVJPKHASBFS-CJNGLKHVSA-N 2 0 260.381 2.421 20 30 CEEDRP CC(C)[NH+]1CCC(O)(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000344636177 529004973 /nfs/dbraw/zinc/00/49/73/529004973.db2.gz FQLBRBASSWYIEA-UHFFFAOYSA-N 2 0 281.444 2.141 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020676090 622824761 /nfs/dbraw/zinc/82/47/61/622824761.db2.gz QZIOWQNCCPIUHA-JYJNAYRXSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CC[C@@H]1CC[NH+]1CC1(C[N@H+]2CC[C@@H]2CC=C)COC1 ZINC000934462682 624510419 /nfs/dbraw/zinc/51/04/19/624510419.db2.gz ZZKNHYQPZZQXKL-IYBDPMFKSA-N 2 0 276.424 2.304 20 30 CEEDRP C#CC[NH+](C)CCCN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000328245483 627870462 /nfs/dbraw/zinc/87/04/62/627870462.db2.gz HZWBALYZYNWHOZ-PKOBYXMFSA-N 2 0 299.462 2.194 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387230 634629347 /nfs/dbraw/zinc/62/93/47/634629347.db2.gz ILDQSEGDEKCWEC-MCIONIFRSA-N 2 0 252.402 2.088 20 30 CEEDRP CCCNC(=[NH2+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162459294 628303492 /nfs/dbraw/zinc/30/34/92/628303492.db2.gz RRICRSXBQRMRJV-KRWDZBQOSA-N 2 0 288.439 2.355 20 30 CEEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925770694 628768314 /nfs/dbraw/zinc/76/83/14/628768314.db2.gz KOBYCOTVDNDLME-QLFBSQMISA-N 2 0 254.418 2.214 20 30 CEEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@@](C)(CC)C1 ZINC000261655302 628962927 /nfs/dbraw/zinc/96/29/27/628962927.db2.gz AMEATWHTQCZARX-MRXNPFEDSA-N 2 0 280.460 2.170 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000261988477 629411234 /nfs/dbraw/zinc/41/12/34/629411234.db2.gz KYORHBMTJPRUIZ-OKILXGFUSA-N 2 0 280.460 2.223 20 30 CEEDRP CCC[NH+]1CCC(CNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000303863874 631092831 /nfs/dbraw/zinc/09/28/31/631092831.db2.gz APSXDKJDQGAVQB-AWEZNQCLSA-N 2 0 280.460 2.155 20 30 CEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000985520643 631117976 /nfs/dbraw/zinc/11/79/76/631117976.db2.gz HQFAHDMYWJJNJM-UHFFFAOYSA-N 2 0 298.390 2.057 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000986482381 631244259 /nfs/dbraw/zinc/24/42/59/631244259.db2.gz QDWAEEGVNNTDBB-CJNGLKHVSA-N 2 0 298.390 2.103 20 30 CEEDRP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000815107118 632960311 /nfs/dbraw/zinc/96/03/11/632960311.db2.gz KHJUTOAQENXATN-CABCVRRESA-N 2 0 261.413 2.486 20 30 CEEDRP N#C[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903563683 635163161 /nfs/dbraw/zinc/16/31/61/635163161.db2.gz ISIASYUXPCVANZ-CYBMUJFWSA-N 2 0 255.365 2.068 20 30 CEEDRP C=CC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765680 635258191 /nfs/dbraw/zinc/25/81/91/635258191.db2.gz KAEYMSAXTYNTQJ-CVEARBPZSA-N 2 0 278.440 2.433 20 30 CEEDRP CCO[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H]1C[NH3+] ZINC000903768816 635259417 /nfs/dbraw/zinc/25/94/17/635259417.db2.gz RKOXEAIUGISLIM-HUUCEWRRSA-N 2 0 279.428 2.146 20 30 CEEDRP C=CCCC[N@@H+](CC)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903850341 635304192 /nfs/dbraw/zinc/30/41/92/635304192.db2.gz ORIVEUXHJRSZKK-LSDHHAIUSA-N 2 0 252.402 2.043 20 30 CEEDRP CCN(CC)c1ccc(/C=[NH+]\C[C@H]2CCN2C)c(O)c1 ZINC000905003905 635774648 /nfs/dbraw/zinc/77/46/48/635774648.db2.gz XYFGHVPUJNLWOU-QJISPJEISA-N 2 0 275.396 2.361 20 30 CEEDRP C#C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)C1CCOCC1 ZINC000827566629 636355287 /nfs/dbraw/zinc/35/52/87/636355287.db2.gz XAYGBHGGLSFWTI-MRXNPFEDSA-N 2 0 278.440 2.267 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000911728663 638380213 /nfs/dbraw/zinc/38/02/13/638380213.db2.gz XPYPDXPZHQNPHA-NRXISQOPSA-N 2 0 283.460 2.450 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@H]1CC[NH+](C)C ZINC000912649298 638753813 /nfs/dbraw/zinc/75/38/13/638753813.db2.gz SAXFVZGBSWGPDY-CVEARBPZSA-N 2 0 295.471 2.216 20 30 CEEDRP CCCCCCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000842478226 640078531 /nfs/dbraw/zinc/07/85/31/640078531.db2.gz FUUSVAZEBNKQTD-HNNXBMFYSA-N 2 0 279.432 2.344 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997361152 642243073 /nfs/dbraw/zinc/24/30/73/642243073.db2.gz TUUREJAOOGRRFW-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C(CCCNC1=[NH+]CCCCN1)CCC[NH+]1CCCC1 ZINC000849215536 642285857 /nfs/dbraw/zinc/28/58/57/642285857.db2.gz PHAQTBWNMXQZSU-UHFFFAOYSA-N 2 0 280.460 2.362 20 30 CEEDRP C#CCOCC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000851889285 643210706 /nfs/dbraw/zinc/21/07/06/643210706.db2.gz CIJLTLJADYEMBP-UHFFFAOYSA-N 2 0 292.467 2.470 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](CN(C)C)OCC)C1 ZINC000922755809 643246497 /nfs/dbraw/zinc/24/64/97/643246497.db2.gz IGXBWYVOALGGNV-ILXRZTDVSA-N 2 0 254.418 2.288 20 30 CEEDRP C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382576 643688099 /nfs/dbraw/zinc/68/80/99/643688099.db2.gz DDRHHFZJVDPCIL-RHSMWYFYSA-N 2 0 299.418 2.056 20 30 CEEDRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424989 643704256 /nfs/dbraw/zinc/70/42/56/643704256.db2.gz VVBBCPKSSVDXIA-KFZJALRRSA-N 2 0 287.407 2.039 20 30 CEEDRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC000839182276 644181101 /nfs/dbraw/zinc/18/11/01/644181101.db2.gz MEUQEBDWQBYISM-CQSZACIVSA-N 2 0 287.407 2.388 20 30 CEEDRP CCC[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866613371 647842204 /nfs/dbraw/zinc/84/22/04/647842204.db2.gz BAZNNOWWXSJFNL-GOSISDBHSA-N 2 0 283.419 2.489 20 30 CEEDRP C=CC(C)(C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000884463993 652863468 /nfs/dbraw/zinc/86/34/68/652863468.db2.gz ZKEVSYWWAJZGMO-UHFFFAOYSA-N 2 0 288.395 2.032 20 30 CEEDRP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001271020830 805718390 /nfs/dbraw/zinc/71/83/90/805718390.db2.gz DRQRTWDKNVXGJZ-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336671 806134421 /nfs/dbraw/zinc/13/44/21/806134421.db2.gz JKBXXCVCRZTJON-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266466091 802613705 /nfs/dbraw/zinc/61/37/05/802613705.db2.gz JBJBQQKYTWFEPK-CVEARBPZSA-N 2 0 295.471 2.073 20 30 CEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266807411 802911084 /nfs/dbraw/zinc/91/10/84/802911084.db2.gz KMBAETFXQKITDB-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C[NH+](C)CCC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000721560101 803337524 /nfs/dbraw/zinc/33/75/24/803337524.db2.gz NSJAVPYODHEPRU-UHFFFAOYSA-N 2 0 272.396 2.117 20 30 CEEDRP C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001267746278 803701552 /nfs/dbraw/zinc/70/15/52/803701552.db2.gz TWKPMXHWKYADMY-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267817388 803752949 /nfs/dbraw/zinc/75/29/49/803752949.db2.gz ZETSJMFKHARKER-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(CC#N)c1 ZINC001167754250 803841075 /nfs/dbraw/zinc/84/10/75/803841075.db2.gz PUQRYHNXWROHJG-AWEZNQCLSA-N 2 0 272.396 2.246 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001267964064 803856675 /nfs/dbraw/zinc/85/66/75/803856675.db2.gz ZYBUWABBWFXLKQ-OAGGEKHMSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027917577 804341155 /nfs/dbraw/zinc/34/11/55/804341155.db2.gz CDGGDGDDQMAPRJ-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027918146 804341647 /nfs/dbraw/zinc/34/16/47/804341647.db2.gz KQUPUYDNVNKYPO-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287831 805113789 /nfs/dbraw/zinc/11/37/89/805113789.db2.gz NIUCVMFNIROROJ-CVEARBPZSA-N 2 0 295.471 2.216 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001269980589 805300821 /nfs/dbraw/zinc/30/08/21/805300821.db2.gz HECFQRJVZYDBLC-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171546575 815188296 /nfs/dbraw/zinc/18/82/96/815188296.db2.gz LIYDCMJKFUWVMW-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128543362 809218607 /nfs/dbraw/zinc/21/86/07/809218607.db2.gz CFQRNZYPDHAJSM-UHFFFAOYSA-N 2 0 295.452 2.095 20 30 CEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308411 809575492 /nfs/dbraw/zinc/57/54/92/809575492.db2.gz BGQLMOLBBPZPJG-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710620380 810001264 /nfs/dbraw/zinc/00/12/64/810001264.db2.gz CETXJVCOGRCRQJ-UHFFFAOYSA-N 2 0 254.418 2.121 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001122002869 815376109 /nfs/dbraw/zinc/37/61/09/815376109.db2.gz LNKNIBIVZGMAPT-KFWWJZLASA-N 2 0 281.444 2.001 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001122116112 815386219 /nfs/dbraw/zinc/38/62/19/815386219.db2.gz QBKOILRBMGUFNV-JYJNAYRXSA-N 2 0 295.471 2.417 20 30 CEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724909 810888996 /nfs/dbraw/zinc/88/89/96/810888996.db2.gz IWCIBQWWLCTCEP-INIZCTEOSA-N 2 0 298.390 2.057 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172484254 815434517 /nfs/dbraw/zinc/43/45/17/815434517.db2.gz ZIBXSIQWYXDTCQ-CQSZACIVSA-N 2 0 267.417 2.159 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995549 812969547 /nfs/dbraw/zinc/96/95/47/812969547.db2.gz XQGAWJLIGCJAQW-UHFFFAOYSA-N 2 0 283.460 2.004 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133685117 813136645 /nfs/dbraw/zinc/13/66/45/813136645.db2.gz QIYZOKVGLKFIMQ-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C#CC[N@H+](C)CCCNc1cc[nH+]c2ccccc12 ZINC000392783732 813307037 /nfs/dbraw/zinc/30/70/37/813307037.db2.gz GYDUKILWLYFIDL-UHFFFAOYSA-N 2 0 253.349 2.024 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858226 813337539 /nfs/dbraw/zinc/33/75/39/813337539.db2.gz PZIAAVGDAKFVPG-HUUCEWRRSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071652894 813460920 /nfs/dbraw/zinc/46/09/20/813460920.db2.gz QCMMFOLLMOJUET-ZFWWWQNUSA-N 2 0 298.390 2.103 20 30 CEEDRP C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691716 813504818 /nfs/dbraw/zinc/50/48/18/813504818.db2.gz YWPYZSOSNOROAJ-HZPDHXFCSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686194 813842712 /nfs/dbraw/zinc/84/27/12/813842712.db2.gz YCNMJEGOGWESGT-JYJNAYRXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001074939589 813868978 /nfs/dbraw/zinc/86/89/78/813868978.db2.gz IDVRESYWPRBBLJ-XHSDSOJGSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171119369 813897863 /nfs/dbraw/zinc/89/78/63/813897863.db2.gz IVSMJNKFOJPGDE-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC001171176976 814058360 /nfs/dbraw/zinc/05/83/60/814058360.db2.gz YVWFFJKPMHZSON-CQSZACIVSA-N 2 0 271.408 2.421 20 30 CEEDRP C/C=C(\NC=[NH2+])NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC001171274807 814269757 /nfs/dbraw/zinc/26/97/57/814269757.db2.gz OFLQDPYKJGIIMR-APQPDGGLSA-N 2 0 297.406 2.192 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595222 814298804 /nfs/dbraw/zinc/29/88/04/814298804.db2.gz XQZULDLBSBNQSG-HUUCEWRRSA-N 2 0 283.460 2.166 20 30 CEEDRP C=C(C)C[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449282 814449752 /nfs/dbraw/zinc/44/97/52/814449752.db2.gz MHVDYXVUBAMMHR-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C[NH+]1CCC2(C[NH+](C3CCC(C)(C#N)CC3)C2)CC1 ZINC001173597957 815756502 /nfs/dbraw/zinc/75/65/02/815756502.db2.gz KFGMVJZXHIXZIT-UHFFFAOYSA-N 2 0 261.413 2.486 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176284782 816377125 /nfs/dbraw/zinc/37/71/25/816377125.db2.gz KFXQMBCINZVKAB-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[NH+]1CCCCC1 ZINC001176930805 816493005 /nfs/dbraw/zinc/49/30/05/816493005.db2.gz PTMUOXFHSVXTME-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142917133 816756427 /nfs/dbraw/zinc/75/64/27/816756427.db2.gz SXNOKUOFQURDGU-ZBFHGGJFSA-N 2 0 294.402 2.423 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178826992 816799146 /nfs/dbraw/zinc/79/91/46/816799146.db2.gz CAQBVQPZMPINGN-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)[C@H]1C ZINC001179000051 816824415 /nfs/dbraw/zinc/82/44/15/816824415.db2.gz PCZUQBLBMPMVDO-JSGCOSHPSA-N 2 0 298.390 2.332 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179585467 816884903 /nfs/dbraw/zinc/88/49/03/816884903.db2.gz IMLCNZIKZRPJCM-HZPDHXFCSA-N 2 0 295.471 2.026 20 30 CEEDRP C=C(C)[C@@H](CO)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047887 539183064 /nfs/dbraw/zinc/18/30/64/539183064.db2.gz JAGQGRNBSDRMDD-QZTJIDSGSA-N 2 0 288.435 2.377 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000042393526 362091269 /nfs/dbraw/zinc/09/12/69/362091269.db2.gz BDCWELJRJOWBIJ-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP CNC(NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)=[NH+]C ZINC000057887889 343640442 /nfs/dbraw/zinc/64/04/42/343640442.db2.gz NSDWSTMUMBZKKB-CQSZACIVSA-N 2 0 288.439 2.356 20 30 CEEDRP C=CCNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000069672584 343789820 /nfs/dbraw/zinc/78/98/20/343789820.db2.gz GZEXCPWTKGJXMU-ZDUSSCGKSA-N 2 0 274.412 2.206 20 30 CEEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000590643215 345154414 /nfs/dbraw/zinc/15/44/14/345154414.db2.gz KFMZRUCOIBRQFY-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000591579335 345266177 /nfs/dbraw/zinc/26/61/77/345266177.db2.gz LZWLQLGNYNKVOL-IUODEOHRSA-N 2 0 255.365 2.351 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000591580022 345266617 /nfs/dbraw/zinc/26/66/17/345266617.db2.gz HDAKLZYJQPVNFS-JKSUJKDBSA-N 2 0 267.376 2.277 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000591582636 345266803 /nfs/dbraw/zinc/26/68/03/345266803.db2.gz QFNMPPVXEDVJNV-QGZVFWFLSA-N 2 0 298.434 2.259 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593314279 345465545 /nfs/dbraw/zinc/46/55/45/345465545.db2.gz BOFKHBVYSJWTDX-RCCFBDPRSA-N 2 0 299.418 2.277 20 30 CEEDRP N#Cc1ccc(CC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000595896406 345909582 /nfs/dbraw/zinc/90/95/82/345909582.db2.gz NEJDNHYLBKXNMH-UHFFFAOYSA-N 2 0 257.381 2.162 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000596651425 346072406 /nfs/dbraw/zinc/07/24/06/346072406.db2.gz PPYTYIOHDBFXLN-HZSPNIEDSA-N 2 0 254.443 2.273 20 30 CEEDRP C[NH+](C)CCC[C@H]1C[N@H+](CC(C)(C)CCC#N)CCO1 ZINC000597247905 346161659 /nfs/dbraw/zinc/16/16/59/346161659.db2.gz IMQAKILSIGJZAI-HNNXBMFYSA-N 2 0 281.444 2.359 20 30 CEEDRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595514 346380599 /nfs/dbraw/zinc/38/05/99/346380599.db2.gz OUYUAISOMOBMRC-LSDHHAIUSA-N 2 0 281.444 2.093 20 30 CEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716451 346677222 /nfs/dbraw/zinc/67/72/22/346677222.db2.gz LMJFGIZXGMRSAO-HOTGVXAUSA-N 2 0 293.455 2.143 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718364 346677241 /nfs/dbraw/zinc/67/72/41/346677241.db2.gz WWQBHTLFFWPUGS-HZPDHXFCSA-N 2 0 293.455 2.285 20 30 CEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000600751390 346684348 /nfs/dbraw/zinc/68/43/48/346684348.db2.gz QZSNDTWIUFJIPT-HOTGVXAUSA-N 2 0 293.455 2.284 20 30 CEEDRP N#Cc1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000600768861 346686300 /nfs/dbraw/zinc/68/63/00/346686300.db2.gz HFGXWXDNCHYYSV-UHFFFAOYSA-N 2 0 261.369 2.492 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](C)CCC#N ZINC000602657980 347127604 /nfs/dbraw/zinc/12/76/04/347127604.db2.gz VSWGJRPUIOOLQF-IAGOWNOFSA-N 2 0 294.487 2.274 20 30 CEEDRP C[NH+](C)CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390332 347772861 /nfs/dbraw/zinc/77/28/61/347772861.db2.gz SPLPLMPZNHQMCC-INIZCTEOSA-N 2 0 257.381 2.477 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1 ZINC000619771196 349234368 /nfs/dbraw/zinc/23/43/68/349234368.db2.gz UZOHCTXUDBUMEM-OAHLLOKOSA-N 2 0 260.381 2.435 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000578185256 366455677 /nfs/dbraw/zinc/45/56/77/366455677.db2.gz QSUCRZONDBZNEI-MRXNPFEDSA-N 2 0 298.434 2.116 20 30 CEEDRP C=C(Br)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158556975 366858680 /nfs/dbraw/zinc/85/86/80/366858680.db2.gz MBPFFGVDAQJKFX-NEPJUHHUSA-N 2 0 273.218 2.311 20 30 CEEDRP C=C(C)C[C@@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985731 370888085 /nfs/dbraw/zinc/88/80/85/370888085.db2.gz NDPJVRZKEWKWEF-CYBMUJFWSA-N 2 0 288.395 2.032 20 30 CEEDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632770 367928611 /nfs/dbraw/zinc/92/86/11/367928611.db2.gz ZMHYDKLVDJMQPY-CZUORRHYSA-N 2 0 257.381 2.031 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738693 368350805 /nfs/dbraw/zinc/35/08/05/368350805.db2.gz LOYCYBFFKJZQLW-UHFFFAOYSA-N 2 0 289.427 2.001 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000346690731 368773005 /nfs/dbraw/zinc/77/30/05/368773005.db2.gz UQUBAHPXYQPMSJ-DZGCQCFKSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000634999881 369035231 /nfs/dbraw/zinc/03/52/31/369035231.db2.gz BOVWBLRZKKQRPG-DZGCQCFKSA-N 2 0 260.381 2.278 20 30 CEEDRP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000351412173 369634878 /nfs/dbraw/zinc/63/48/78/369634878.db2.gz LPOCJMUKIDBRFS-KKUMJFAQSA-N 2 0 254.418 2.118 20 30 CEEDRP C[C@H](CC[NH+](C)C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353388000 370112362 /nfs/dbraw/zinc/11/23/62/370112362.db2.gz PHIOKXZLYGBBCN-WBMJQRKESA-N 2 0 257.381 2.475 20 30 CEEDRP C=CCOc1ccc(CN2CC[C@](C)(C[NH3+])C2)cc1OC ZINC000261807933 371737406 /nfs/dbraw/zinc/73/74/06/371737406.db2.gz OOTZJKOHQHQPOE-QGZVFWFLSA-N 2 0 290.407 2.431 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000264045830 371957964 /nfs/dbraw/zinc/95/79/64/371957964.db2.gz KQOPZOAXKSDOLN-UONOGXRCSA-N 2 0 292.427 2.065 20 30 CEEDRP CCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264075154 371962821 /nfs/dbraw/zinc/96/28/21/371962821.db2.gz HBWWHRKHLKTTLG-UHFFFAOYSA-N 2 0 288.439 2.487 20 30 CEEDRP CCc1cccc(CC)c1NC(=[NH2+])NCCC[NH+](C)C ZINC000264096266 371968928 /nfs/dbraw/zinc/96/89/28/371968928.db2.gz LYHKZMHYCDDHJC-UHFFFAOYSA-N 2 0 276.428 2.490 20 30 CEEDRP CNC(NCc1ccc(C[NH+]2CCCCCC2)cc1)=[NH+]C ZINC000264129299 371975730 /nfs/dbraw/zinc/97/57/30/371975730.db2.gz XMPPYZATLYZZQY-UHFFFAOYSA-N 2 0 288.439 2.357 20 30 CEEDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000353566170 220163096 /nfs/dbraw/zinc/16/30/96/220163096.db2.gz DMUPMXCYGVWJMI-UHFFFAOYSA-N 2 0 287.407 2.101 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423099618 376993638 /nfs/dbraw/zinc/99/36/38/376993638.db2.gz LZWKQWRAXKHUCL-BBRMVZONSA-N 2 0 257.381 2.078 20 30 CEEDRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243075 377162642 /nfs/dbraw/zinc/16/26/42/377162642.db2.gz GDIWBXDEBYCULR-RYUDHWBXSA-N 2 0 261.344 2.348 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423513793 377271267 /nfs/dbraw/zinc/27/12/67/377271267.db2.gz RMMLBKNDKMKDOJ-WDMOLILDSA-N 2 0 261.344 2.475 20 30 CEEDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442784134 377993645 /nfs/dbraw/zinc/99/36/45/377993645.db2.gz RKEQDAWLGDBQHR-GDBMZVCRSA-N 2 0 287.407 2.409 20 30 CEEDRP C(#CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000472604385 380074408 /nfs/dbraw/zinc/07/44/08/380074408.db2.gz PIFNMSQREDLXFB-TVFCKZIOSA-N 2 0 272.436 2.454 20 30 CEEDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189575406 129994085 /nfs/dbraw/zinc/99/40/85/129994085.db2.gz LUSHEFKVKUUPNI-AWEZNQCLSA-N 2 0 276.428 2.497 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423534814 394946973 /nfs/dbraw/zinc/94/69/73/394946973.db2.gz AYBHPZCEABCZOX-QGZVFWFLSA-N 2 0 267.376 2.445 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346840163 395109391 /nfs/dbraw/zinc/10/93/91/395109391.db2.gz ZSWXORRRHAXNKF-XIRDDKMYSA-N 2 0 272.392 2.421 20 30 CEEDRP C#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377319796 395136561 /nfs/dbraw/zinc/13/65/61/395136561.db2.gz ZKXGJUZDLIEAIM-ZWKOTPCHSA-N 2 0 268.404 2.464 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248623 395455922 /nfs/dbraw/zinc/45/59/22/395455922.db2.gz NKZVEXXQUHGAPY-SFHVURJKSA-N 2 0 299.418 2.149 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000130544183 260397724 /nfs/dbraw/zinc/39/77/24/260397724.db2.gz OVSAYMBIYIQPKE-JKSUJKDBSA-N 2 0 267.461 2.203 20 30 CEEDRP C[C@@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+](C)C ZINC000291919307 263126614 /nfs/dbraw/zinc/12/66/14/263126614.db2.gz NDORPAQFYWRJDM-ZDUSSCGKSA-N 2 0 288.439 2.490 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878321441 651066514 /nfs/dbraw/zinc/06/65/14/651066514.db2.gz DVZOXHFCVGZPLL-MRXNPFEDSA-N 2 0 279.472 2.441 20 30 CEEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC(C)(C)CCC#N)C2)CC1 ZINC000369670784 267258536 /nfs/dbraw/zinc/25/85/36/267258536.db2.gz BAWQCTXNYBHOGR-OAHLLOKOSA-N 2 0 292.471 2.074 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000304800886 267835448 /nfs/dbraw/zinc/83/54/48/267835448.db2.gz OVGVRXUXJKSCKB-JSGCOSHPSA-N 2 0 294.468 2.445 20 30 CEEDRP C[C@@H](CC[NH+](C)C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353387998 274209150 /nfs/dbraw/zinc/20/91/50/274209150.db2.gz PHIOKXZLYGBBCN-LRDDRELGSA-N 2 0 257.381 2.475 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389553 277068878 /nfs/dbraw/zinc/06/88/78/277068878.db2.gz ASMVCADYTPYNLL-KURKYZTESA-N 2 0 299.418 2.008 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414946001 328279087 /nfs/dbraw/zinc/27/90/87/328279087.db2.gz JCQVUCRFZFUPEJ-ZFWWWQNUSA-N 2 0 260.381 2.482 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262678253 330026262 /nfs/dbraw/zinc/02/62/62/330026262.db2.gz RYRUOUYOLKICTK-GXTWGEPZSA-N 2 0 292.452 2.221 20 30 CEEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)NC1CCCCCC1 ZINC000262769466 330030450 /nfs/dbraw/zinc/03/04/50/330030450.db2.gz IHTUFWKUCILJCT-UHFFFAOYSA-N 2 0 292.471 2.488 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827690 330156594 /nfs/dbraw/zinc/15/65/94/330156594.db2.gz FAWXOZPRSLGXSB-OWCLPIDISA-N 2 0 265.445 2.154 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000422911457 330160026 /nfs/dbraw/zinc/16/00/26/330160026.db2.gz SWXNSRBVVMOAMP-CWRNSKLLSA-N 2 0 290.407 2.093 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423096538 330169702 /nfs/dbraw/zinc/16/97/02/330169702.db2.gz PEULYYKEBGKZRK-JYVUQVBGSA-N 2 0 252.402 2.075 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095693 330169855 /nfs/dbraw/zinc/16/98/55/330169855.db2.gz MZVZKZRFTBQEEB-AJNGGQMLSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000436291183 330673752 /nfs/dbraw/zinc/67/37/52/330673752.db2.gz JPXBLFRVKRBTOX-HOCLYGCPSA-N 2 0 266.429 2.430 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000449094162 330898707 /nfs/dbraw/zinc/89/87/07/330898707.db2.gz QOQXDNCWQRJIFC-CABCVRRESA-N 2 0 254.418 2.168 20 30 CEEDRP N#CCC[C@@H](C#N)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000552788151 334345017 /nfs/dbraw/zinc/34/50/17/334345017.db2.gz OUIKXJBYIIZBSD-INIZCTEOSA-N 2 0 297.406 2.331 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840959 526935091 /nfs/dbraw/zinc/93/50/91/526935091.db2.gz GXYAFTHUMYGKIB-BPUTZDHNSA-N 2 0 272.392 2.421 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)Cn2ccnc2)cc1 ZINC000728711887 574468706 /nfs/dbraw/zinc/46/87/06/574468706.db2.gz PYROOZHJXIWWHE-ZIAGYGMSSA-N 2 0 284.363 2.352 20 30 CEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971944517 613286447 /nfs/dbraw/zinc/28/64/47/613286447.db2.gz WGIGMDSNOKHYPE-MRXNPFEDSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615812 613778930 /nfs/dbraw/zinc/77/89/30/613778930.db2.gz LJSCMRKTCYQMJS-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001020907028 622920504 /nfs/dbraw/zinc/92/05/04/622920504.db2.gz QAMXYNFHFZSVDM-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165061 628527565 /nfs/dbraw/zinc/52/75/65/628527565.db2.gz GEQCFWIBBAVWIQ-HOCLYGCPSA-N 2 0 288.439 2.211 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000303255132 631079297 /nfs/dbraw/zinc/07/92/97/631079297.db2.gz GANWGKUBPNCNAT-AWEZNQCLSA-N 2 0 268.449 2.201 20 30 CEEDRP CCNC(NCCCCC[NH+]1CCCCC1)=[NH+]CC ZINC000304077713 631098120 /nfs/dbraw/zinc/09/81/20/631098120.db2.gz XREKCPONBLSTMS-UHFFFAOYSA-N 2 0 268.449 2.218 20 30 CEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000985640253 631164194 /nfs/dbraw/zinc/16/41/94/631164194.db2.gz XAEBQSBUIGENHT-MRXNPFEDSA-N 2 0 295.471 2.072 20 30 CEEDRP CC(C)[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)N1CC[NH+](C)CC1 ZINC000924634502 632369329 /nfs/dbraw/zinc/36/93/29/632369329.db2.gz YNXHUFFGCDJBED-CVEARBPZSA-N 2 0 294.487 2.176 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903192100 635005087 /nfs/dbraw/zinc/00/50/87/635005087.db2.gz ILVBUXWLDHIDCT-WYIYSYCWSA-N 2 0 259.397 2.426 20 30 CEEDRP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000903422864 635122979 /nfs/dbraw/zinc/12/29/79/635122979.db2.gz KKGJJMAGWKXKKA-CQSZACIVSA-N 2 0 257.381 2.216 20 30 CEEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000825226731 635594913 /nfs/dbraw/zinc/59/49/13/635594913.db2.gz LHRCTUQTWARXRZ-WMLDXEAASA-N 2 0 256.393 2.488 20 30 CEEDRP CC(C)CCNC(=[NH2+])NCCN(C)Cc1ccccc1 ZINC000170910071 639684842 /nfs/dbraw/zinc/68/48/42/639684842.db2.gz IZMCNXYZCJUVPO-UHFFFAOYSA-N 2 0 276.428 2.069 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000844920511 640866632 /nfs/dbraw/zinc/86/66/32/640866632.db2.gz DATYUGPXWLCTFH-CQSZACIVSA-N 2 0 272.392 2.478 20 30 CEEDRP CN(C)C(NCc1ccccc1)=[NH+]CCCC[NH+](C)C ZINC000848989971 642210957 /nfs/dbraw/zinc/21/09/57/642210957.db2.gz PAKAPHRYFYXTHX-UHFFFAOYSA-N 2 0 276.428 2.036 20 30 CEEDRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)cc1C#N ZINC000923492654 643737319 /nfs/dbraw/zinc/73/73/19/643737319.db2.gz YLQPTMSXMYUMLJ-ZFWWWQNUSA-N 2 0 257.381 2.283 20 30 CEEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512270 644416008 /nfs/dbraw/zinc/41/60/08/644416008.db2.gz ISPHJWGIUKXQJN-INIZCTEOSA-N 2 0 287.407 2.211 20 30 CEEDRP C#CCCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877969995 650962581 /nfs/dbraw/zinc/96/25/81/650962581.db2.gz JIJFDPLPMYGDPX-UHFFFAOYSA-N 2 0 278.440 2.224 20 30 CEEDRP C#CCOc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000768300767 646105298 /nfs/dbraw/zinc/10/52/98/646105298.db2.gz DGOJAEAOBHQSIM-UHFFFAOYSA-N 2 0 286.419 2.472 20 30 CEEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@H]1CC[NH2+]C1 ZINC000866698488 647873495 /nfs/dbraw/zinc/87/34/95/647873495.db2.gz WGEPCMAOJBKHFR-OAHLLOKOSA-N 2 0 257.381 2.032 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088383844 806179048 /nfs/dbraw/zinc/17/90/48/806179048.db2.gz NUFPVCCHTIJBDW-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP [NH2+]=C(NC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cn1 ZINC001168358337 806693603 /nfs/dbraw/zinc/69/36/03/806693603.db2.gz SHWHRWUYVMIHJS-UHFFFAOYSA-N 2 0 292.814 2.315 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000703719260 809679744 /nfs/dbraw/zinc/67/97/44/809679744.db2.gz AXILRKORKJMCEZ-UHFFFAOYSA-N 2 0 280.799 2.393 20 30 CEEDRP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001268039516 804176072 /nfs/dbraw/zinc/17/60/72/804176072.db2.gz XASXBRNATXMBBU-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001268223401 804553565 /nfs/dbraw/zinc/55/35/65/804553565.db2.gz UXWLWLDWCDUAIY-INIZCTEOSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287835 805114224 /nfs/dbraw/zinc/11/42/24/805114224.db2.gz NIUCVMFNIROROJ-HZPDHXFCSA-N 2 0 295.471 2.216 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@H](C)C1 ZINC001269980591 805300729 /nfs/dbraw/zinc/30/07/29/805300729.db2.gz HECFQRJVZYDBLC-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2ccnc2C(N)=[NH2+])cc1 ZINC001168420235 807274112 /nfs/dbraw/zinc/27/41/12/807274112.db2.gz QZLQTSSAEMFBOQ-HNNXBMFYSA-N 2 0 295.390 2.479 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716635983 815137197 /nfs/dbraw/zinc/13/71/97/815137197.db2.gz HSYOPFHAGZZDMC-MHORFTMASA-N 2 0 286.419 2.176 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120140900 815200617 /nfs/dbraw/zinc/20/06/17/815200617.db2.gz OXNVKOKNWISPNF-UHFFFAOYSA-N 2 0 293.455 2.067 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669059 815210635 /nfs/dbraw/zinc/21/06/35/815210635.db2.gz RLHOLVPIHOCANS-HNNXBMFYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001034797409 809696383 /nfs/dbraw/zinc/69/63/83/809696383.db2.gz ZUAKAXOSOXPXLU-KLHDSHLOSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001085196803 809759115 /nfs/dbraw/zinc/75/91/15/809759115.db2.gz ONMHHUQVBQGUAT-OAGGEKHMSA-N 2 0 293.455 2.062 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH2+]C)cc1 ZINC001118057058 809820234 /nfs/dbraw/zinc/82/02/34/809820234.db2.gz AANIATZDNIHVOJ-UONOGXRCSA-N 2 0 260.381 2.347 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016340739 810425082 /nfs/dbraw/zinc/42/50/82/810425082.db2.gz ZKLLRLRFEYCRHY-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C2 ZINC001169092204 811382890 /nfs/dbraw/zinc/38/28/90/811382890.db2.gz ZWDYSYRFOUWDCH-BJWYYQGGSA-N 2 0 269.392 2.316 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC001044656102 811520390 /nfs/dbraw/zinc/52/03/90/811520390.db2.gz ASLPTCQPKDNYNV-ZFWWWQNUSA-N 2 0 298.390 2.103 20 30 CEEDRP C[C@@H](CCCC#N)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001172500060 815455858 /nfs/dbraw/zinc/45/58/58/815455858.db2.gz JILQDMKWYRPUKC-INIZCTEOSA-N 2 0 282.476 2.274 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372797 812663287 /nfs/dbraw/zinc/66/32/87/812663287.db2.gz RGEMXCOTMYALTQ-ZDUSSCGKSA-N 2 0 286.379 2.008 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131822929 812733064 /nfs/dbraw/zinc/73/30/64/812733064.db2.gz YCVWCZPLGOJUSF-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080914 813540098 /nfs/dbraw/zinc/54/00/98/813540098.db2.gz DIUPFCVSKQRMEW-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966445 813575049 /nfs/dbraw/zinc/57/50/49/813575049.db2.gz OPLNNDVHPHHQMD-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995823 813582980 /nfs/dbraw/zinc/58/29/80/813582980.db2.gz LNBSWWJQEJFEAC-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP CC(C)[C@@H](C#N)c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170901289 813622347 /nfs/dbraw/zinc/62/23/47/813622347.db2.gz YMAFTLOAOLXVBY-HUUCEWRRSA-N 2 0 260.385 2.385 20 30 CEEDRP C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099214681 813995547 /nfs/dbraw/zinc/99/55/47/813995547.db2.gz LZZLUBXEZVDGOT-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C)CC1 ZINC001171176975 814057253 /nfs/dbraw/zinc/05/72/53/814057253.db2.gz YVWFFJKPMHZSON-AWEZNQCLSA-N 2 0 271.408 2.421 20 30 CEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100668593 814168421 /nfs/dbraw/zinc/16/84/21/814168421.db2.gz CIXMUTLWWJWUDQ-UYSNPLJNSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171226471 814192412 /nfs/dbraw/zinc/19/24/12/814192412.db2.gz GZERDTYTSJEAHD-INIZCTEOSA-N 2 0 295.471 2.171 20 30 CEEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206196634 815624548 /nfs/dbraw/zinc/62/45/48/815624548.db2.gz CJDGACICFOSVMK-GJZGRUSLSA-N 2 0 261.344 2.128 20 30 CEEDRP C=CC[N@@H+](C)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139258831 815997353 /nfs/dbraw/zinc/99/73/53/815997353.db2.gz XQQBXBSUSZPAAZ-UHFFFAOYSA-N 2 0 264.369 2.080 20 30 CEEDRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(F)cc(C#N)c1)CC2 ZINC001139876243 816133708 /nfs/dbraw/zinc/13/37/08/816133708.db2.gz NZXXKKSHMSNEQW-UHFFFAOYSA-N 2 0 273.355 2.225 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176283925 816377218 /nfs/dbraw/zinc/37/72/18/816377218.db2.gz AXXMCIVMSXVLFD-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176760359 816473376 /nfs/dbraw/zinc/47/33/76/816473376.db2.gz WATDGYGMPWQFMC-HNNXBMFYSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176889747 816489876 /nfs/dbraw/zinc/48/98/76/816489876.db2.gz BDZDNCCYGIXXKC-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698330 816785624 /nfs/dbraw/zinc/78/56/24/816785624.db2.gz DDERQWKYMZTZKV-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP COc1cc(C#N)ccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000121136200 365525948 /nfs/dbraw/zinc/52/59/48/365525948.db2.gz BKJSYVWWSPNEPP-BBRMVZONSA-N 2 0 287.407 2.481 20 30 CEEDRP C[NH+](C)CC1CC[NH+](CCOc2cccc(C#N)c2)CC1 ZINC000042393600 362091547 /nfs/dbraw/zinc/09/15/47/362091547.db2.gz VATMYKXPWVJVAJ-UHFFFAOYSA-N 2 0 287.407 2.211 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])Nc1ccccn1 ZINC000170903776 344492657 /nfs/dbraw/zinc/49/26/57/344492657.db2.gz BDBNQAWBZSXBOE-AWEZNQCLSA-N 2 0 289.427 2.463 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000602531375 347068515 /nfs/dbraw/zinc/06/85/15/347068515.db2.gz HQTHYDPPRWKNBU-OAHLLOKOSA-N 2 0 292.471 2.074 20 30 CEEDRP N#Cc1csc(C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000585744180 345012815 /nfs/dbraw/zinc/01/28/15/345012815.db2.gz VBSVTDFQPMVXND-UHFFFAOYSA-N 2 0 272.377 2.442 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000591578406 345265864 /nfs/dbraw/zinc/26/58/64/345265864.db2.gz ZKQREQTVOHROIQ-ZBFHGGJFSA-N 2 0 255.365 2.277 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000591578405 345266312 /nfs/dbraw/zinc/26/63/12/345266312.db2.gz ZKQREQTVOHROIQ-HOCLYGCPSA-N 2 0 255.365 2.277 20 30 CEEDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595890293 345907784 /nfs/dbraw/zinc/90/77/84/345907784.db2.gz FRGWZVJMJPQKAZ-INIZCTEOSA-N 2 0 259.397 2.406 20 30 CEEDRP C[C@@H]1C[C@@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595891116 345908053 /nfs/dbraw/zinc/90/80/53/345908053.db2.gz ALTMNOVBUFPBQG-CPUCHLNUSA-N 2 0 271.408 2.406 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000595895802 345909422 /nfs/dbraw/zinc/90/94/22/345909422.db2.gz VTXDJKKJGMMDFS-MSOLQXFVSA-N 2 0 283.419 2.422 20 30 CEEDRP CC[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000596648890 346071632 /nfs/dbraw/zinc/07/16/32/346071632.db2.gz AQZKREQVCADQOW-CVEARBPZSA-N 2 0 257.381 2.221 20 30 CEEDRP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598591975 346379218 /nfs/dbraw/zinc/37/92/18/346379218.db2.gz CXXWBWGHNWQRAV-HNNXBMFYSA-N 2 0 281.444 2.093 20 30 CEEDRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C#N ZINC000600699790 346673263 /nfs/dbraw/zinc/67/32/63/346673263.db2.gz DGHCVWXEFVUING-DZGCQCFKSA-N 2 0 257.381 2.426 20 30 CEEDRP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)cc1 ZINC000600712396 346676176 /nfs/dbraw/zinc/67/61/76/346676176.db2.gz XLJWJEYNBQAJJX-OAHLLOKOSA-N 2 0 273.380 2.107 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000602724033 347171669 /nfs/dbraw/zinc/17/16/69/347171669.db2.gz PMHLKAXHOOGKQQ-CVEARBPZSA-N 2 0 293.455 2.407 20 30 CEEDRP C[C@H](CCC#N)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000618887337 349060259 /nfs/dbraw/zinc/06/02/59/349060259.db2.gz UZSUUHIIVJLZIT-IAGOWNOFSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000130717430 365984161 /nfs/dbraw/zinc/98/41/61/365984161.db2.gz HLEQQQWGMFKAON-UHFFFAOYSA-N 2 0 255.365 2.298 20 30 CEEDRP C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579836 351420343 /nfs/dbraw/zinc/42/03/43/351420343.db2.gz KBWAXYKREOHFEQ-MSOLQXFVSA-N 2 0 288.435 2.220 20 30 CEEDRP C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694784 539945084 /nfs/dbraw/zinc/94/50/84/539945084.db2.gz MMEGRKKHXBCSCS-ZBFHGGJFSA-N 2 0 289.423 2.336 20 30 CEEDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000157790791 188339284 /nfs/dbraw/zinc/33/92/84/188339284.db2.gz YMQZKSRGBYQAPV-HIFRSBDPSA-N 2 0 273.380 2.161 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000152974673 366723171 /nfs/dbraw/zinc/72/31/71/366723171.db2.gz DYZCVTCSYVRBNC-WBVHZDCISA-N 2 0 279.472 2.347 20 30 CEEDRP CCC#C[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680431958 541412329 /nfs/dbraw/zinc/41/23/29/541412329.db2.gz ZBUVJIDNFAISKI-QGZVFWFLSA-N 2 0 291.483 2.138 20 30 CEEDRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1C#N ZINC000335878081 365104448 /nfs/dbraw/zinc/10/44/48/365104448.db2.gz QDGPSMOOAKASHR-CZUORRHYSA-N 2 0 257.381 2.439 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121164 365438448 /nfs/dbraw/zinc/43/84/48/365438448.db2.gz UAMLDEZHCXQLRL-CVEARBPZSA-N 2 0 261.413 2.486 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632765 367929462 /nfs/dbraw/zinc/92/94/62/367929462.db2.gz ZMHYDKLVDJMQPY-BBRMVZONSA-N 2 0 257.381 2.031 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000346694234 368777127 /nfs/dbraw/zinc/77/71/27/368777127.db2.gz SUHIXZLLOSSJHB-UKRRQHHQSA-N 2 0 260.381 2.421 20 30 CEEDRP C=C(C)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000351863828 369654713 /nfs/dbraw/zinc/65/47/13/369654713.db2.gz XACSFRFWNKSBQN-UHFFFAOYSA-N 2 0 266.429 2.387 20 30 CEEDRP C[C@H]1C[C@H](C)C[NH+](CCCNCc2nc(C#N)cs2)C1 ZINC000352841435 369907663 /nfs/dbraw/zinc/90/76/63/369907663.db2.gz RGCPWHJMVSDFKF-STQMWFEESA-N 2 0 292.452 2.472 20 30 CEEDRP CC[NH+]1CCC(CC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352847585 369911545 /nfs/dbraw/zinc/91/15/45/369911545.db2.gz VLZQLNAOHYOTIN-UHFFFAOYSA-N 2 0 278.425 2.226 20 30 CEEDRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)ccc1C#N ZINC000226351325 370337086 /nfs/dbraw/zinc/33/70/86/370337086.db2.gz BRNNMVQNPPYEQB-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP C=CC[C@@H](CC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639132161 371011086 /nfs/dbraw/zinc/01/10/86/371011086.db2.gz GIYOUHROBRZSOF-CYBMUJFWSA-N 2 0 254.418 2.166 20 30 CEEDRP C=C(C)[C@H](CO)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985952 371714507 /nfs/dbraw/zinc/71/45/07/371714507.db2.gz GJEWFUARFVJIAU-HNNXBMFYSA-N 2 0 266.429 2.264 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NCCCC[NH+](C)C)cc1C ZINC000264084021 371964868 /nfs/dbraw/zinc/96/48/68/371964868.db2.gz IJWMHMHJMNTPGN-UHFFFAOYSA-N 2 0 262.401 2.372 20 30 CEEDRP CCCCNC(=[NH2+])NCc1cccc(C[N@H+](C)CC)c1 ZINC000264129875 371975663 /nfs/dbraw/zinc/97/56/63/371975663.db2.gz XSCBAMWPLNIAOU-UHFFFAOYSA-N 2 0 276.428 2.343 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000268656508 372170606 /nfs/dbraw/zinc/17/06/06/372170606.db2.gz LBBJRLJSLSVJQH-CVEARBPZSA-N 2 0 296.374 2.194 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423099307 376993816 /nfs/dbraw/zinc/99/38/16/376993816.db2.gz LXZNQAIHIHKSBS-HOTGVXAUSA-N 2 0 257.381 2.350 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000423218460 377133706 /nfs/dbraw/zinc/13/37/06/377133706.db2.gz VOMDMXFQXGDZOD-INIZCTEOSA-N 2 0 298.434 2.116 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000436303704 377822535 /nfs/dbraw/zinc/82/25/35/377822535.db2.gz CIWUOEIDFIHYPG-KBXIAJHMSA-N 2 0 252.402 2.040 20 30 CEEDRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737904 378224858 /nfs/dbraw/zinc/22/48/58/378224858.db2.gz VROJEQNQSKVZJZ-ZBEGNZNMSA-N 2 0 273.355 2.270 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000231799180 394480279 /nfs/dbraw/zinc/48/02/79/394480279.db2.gz GVLISLBGNIXUCU-ZNMIVQPWSA-N 2 0 252.402 2.089 20 30 CEEDRP C[N@H+](CCCNC(=[NH2+])NC1CCCC1)Cc1ccccc1 ZINC000050285680 394555095 /nfs/dbraw/zinc/55/50/95/394555095.db2.gz ATEXYVZHGKFAQU-UHFFFAOYSA-N 2 0 288.439 2.355 20 30 CEEDRP CNC(=[NH2+])NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000267440986 394679154 /nfs/dbraw/zinc/67/91/54/394679154.db2.gz PDAICSOAXHSEML-AWEZNQCLSA-N 2 0 294.830 2.229 20 30 CEEDRP CNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000107035286 394726506 /nfs/dbraw/zinc/72/65/06/394726506.db2.gz PYYIJJVRYRPHSP-UHFFFAOYSA-N 2 0 294.830 2.086 20 30 CEEDRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC(C)(C)CCC#N)CC2)C1 ZINC000362377769 394856971 /nfs/dbraw/zinc/85/69/71/394856971.db2.gz ZWPIIYNQUUZDNH-INIZCTEOSA-N 2 0 292.471 2.028 20 30 CEEDRP CC#CCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000155367978 395027356 /nfs/dbraw/zinc/02/73/56/395027356.db2.gz UKIHYUKLPCBXAP-IYBDPMFKSA-N 2 0 278.440 2.221 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000572951394 395595334 /nfs/dbraw/zinc/59/53/34/395595334.db2.gz MIIAQSAHUJOOCG-KURKYZTESA-N 2 0 299.418 2.447 20 30 CEEDRP C=CCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382149 396135678 /nfs/dbraw/zinc/13/56/78/396135678.db2.gz OFULKDWUIOYQQK-MRXNPFEDSA-N 2 0 265.445 2.055 20 30 CEEDRP C[N@H+](CCOc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285416738 196278239 /nfs/dbraw/zinc/27/82/39/196278239.db2.gz GIOZDXBEHTZNEC-SJPCQFCGSA-N 2 0 299.418 2.494 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657846387 415103883 /nfs/dbraw/zinc/10/38/83/415103883.db2.gz NUMHURNLFZPQOC-PMPSAXMXSA-N 2 0 266.429 2.168 20 30 CEEDRP C=CC[C@@]1(C(=O)NCC[NH2+]C2CCCCCC2)CCC[NH2+]1 ZINC000662423493 415836824 /nfs/dbraw/zinc/83/68/24/415836824.db2.gz XQGBQALJLFTEPI-KRWDZBQOSA-N 2 0 293.455 2.113 20 30 CEEDRP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662680425 415929461 /nfs/dbraw/zinc/92/94/61/415929461.db2.gz VAEAWRNLIZNABS-ZMSDIMECSA-N 2 0 293.455 2.064 20 30 CEEDRP C[NH+]=C(NCc1cccs1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000158456485 261165448 /nfs/dbraw/zinc/16/54/48/261165448.db2.gz CSAMTBNRYZHZLH-JSGCOSHPSA-N 2 0 294.468 2.142 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2CN(CC#Cc3ccccc3)CC[C@H]21 ZINC000248843581 261203083 /nfs/dbraw/zinc/20/30/83/261203083.db2.gz MKOYQNNHWYVIFO-QZTJIDSGSA-N 2 0 268.404 2.454 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721195 261241854 /nfs/dbraw/zinc/24/18/54/261241854.db2.gz ZOZTXVMGDPRNDJ-KGLIPLIRSA-N 2 0 269.458 2.295 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000436291184 262829199 /nfs/dbraw/zinc/82/91/99/262829199.db2.gz JPXBLFRVKRBTOX-ZBFHGGJFSA-N 2 0 266.429 2.430 20 30 CEEDRP C=CCOc1cccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357101852 266248171 /nfs/dbraw/zinc/24/81/71/266248171.db2.gz FEDSSVMVZOPTPX-JKSUJKDBSA-N 2 0 272.392 2.293 20 30 CEEDRP CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000519761255 267221596 /nfs/dbraw/zinc/22/15/96/267221596.db2.gz KAERAQXERXZMRG-INIZCTEOSA-N 2 0 275.396 2.177 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000459738388 267338227 /nfs/dbraw/zinc/33/82/27/267338227.db2.gz RRGOLHNVDPFMRN-MRXNPFEDSA-N 2 0 257.381 2.380 20 30 CEEDRP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350954208 277771851 /nfs/dbraw/zinc/77/18/51/277771851.db2.gz YIQRJESXKSYXOC-HNNXBMFYSA-N 2 0 295.471 2.073 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000584226039 327068392 /nfs/dbraw/zinc/06/83/92/327068392.db2.gz BSFJCMCFYMZFFS-MRXNPFEDSA-N 2 0 298.434 2.259 20 30 CEEDRP C=CCC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000378255288 329044213 /nfs/dbraw/zinc/04/42/13/329044213.db2.gz WCLJDMQPZIZRFT-FUHWJXTLSA-N 2 0 291.483 2.489 20 30 CEEDRP C=CCC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000378255287 329044244 /nfs/dbraw/zinc/04/42/44/329044244.db2.gz WCLJDMQPZIZRFT-AEFFLSMTSA-N 2 0 291.483 2.489 20 30 CEEDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185777346 329331500 /nfs/dbraw/zinc/33/15/00/329331500.db2.gz FPCIZMCQNYFEIM-IAGOWNOFSA-N 2 0 292.471 2.076 20 30 CEEDRP C=CC[C@@H](CC)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423094472 330169481 /nfs/dbraw/zinc/16/94/81/330169481.db2.gz BYHMVHXMMFIZGR-ZIAGYGMSSA-N 2 0 282.428 2.252 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392795 330200582 /nfs/dbraw/zinc/20/05/82/330200582.db2.gz QNUCGEZDGLZXOO-CHWSQXEVSA-N 2 0 293.377 2.157 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000449122390 330900113 /nfs/dbraw/zinc/90/01/13/330900113.db2.gz LGWUZGKUWSTLJK-HOTGVXAUSA-N 2 0 267.461 2.347 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000453256988 331108322 /nfs/dbraw/zinc/10/83/22/331108322.db2.gz GSHYROCEXBLUKG-HZPDHXFCSA-N 2 0 266.429 2.168 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc(OC)c1O ZINC000577751895 335397451 /nfs/dbraw/zinc/39/74/51/335397451.db2.gz WGRJPAWQRJHTEV-NWDGAFQWSA-N 2 0 278.396 2.345 20 30 CEEDRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCC#N)CC1 ZINC000344341340 527710888 /nfs/dbraw/zinc/71/08/88/527710888.db2.gz BWEYFBMGIHGTAV-UHFFFAOYSA-N 2 0 286.423 2.222 20 30 CEEDRP Cc1nccn1CC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000728712061 574468788 /nfs/dbraw/zinc/46/87/88/574468788.db2.gz ULHVVXYVVPZDCL-CYBMUJFWSA-N 2 0 284.363 2.272 20 30 CEEDRP C[N@H+](CCNC(=[NH2+])NCCc1cccs1)C1CCCC1 ZINC000304743454 622632503 /nfs/dbraw/zinc/63/25/03/622632503.db2.gz DBUSZFIGVWZDHW-UHFFFAOYSA-N 2 0 294.468 2.069 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001020672942 622822964 /nfs/dbraw/zinc/82/29/64/622822964.db2.gz BELKOQPLPQIHGK-JYJNAYRXSA-N 2 0 293.455 2.064 20 30 CEEDRP CCC1(CC)CCN(C(NC[C@H]2CC[N@H+](C)C2)=[NH+]C)C1 ZINC000261987266 624111461 /nfs/dbraw/zinc/11/14/61/624111461.db2.gz QLMGDBNXFBUXCW-CQSZACIVSA-N 2 0 280.460 2.026 20 30 CEEDRP CC1(C)[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925710656 628559617 /nfs/dbraw/zinc/55/96/17/628559617.db2.gz BQAPKQYHHVLUKD-IKGGRYGDSA-N 2 0 283.419 2.467 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)cc1C ZINC000104175764 628686361 /nfs/dbraw/zinc/68/63/61/628686361.db2.gz IVFBXRKUAFVKEM-HNNXBMFYSA-N 2 0 274.412 2.370 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902491422 634688667 /nfs/dbraw/zinc/68/86/67/634688667.db2.gz XKULKSKINRBWQJ-UMVBOHGHSA-N 2 0 258.365 2.087 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1cc(C)ccc1NC ZINC000902576637 634732532 /nfs/dbraw/zinc/73/25/32/634732532.db2.gz WBXGVTYDBNHTAJ-UHFFFAOYSA-N 2 0 259.397 2.081 20 30 CEEDRP C#C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000809685396 632127089 /nfs/dbraw/zinc/12/70/89/632127089.db2.gz QVMJHQIPNPGXFN-QGZVFWFLSA-N 2 0 274.408 2.374 20 30 CEEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819134762 634078899 /nfs/dbraw/zinc/07/88/99/634078899.db2.gz MTWXSEKSSHLJOC-BRWVUGGUSA-N 2 0 287.407 2.054 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903476407 635146103 /nfs/dbraw/zinc/14/61/03/635146103.db2.gz WBDTXPQPBVJDEG-CVEARBPZSA-N 2 0 257.381 2.160 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904411267 635619568 /nfs/dbraw/zinc/61/95/68/635619568.db2.gz SZYUKMCIJSRXPB-AWEZNQCLSA-N 2 0 290.407 2.431 20 30 CEEDRP Cn1cncc1/C=C\C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905077761 635795482 /nfs/dbraw/zinc/79/54/82/635795482.db2.gz DHJQUZLSDPRARO-FPLPWBNLSA-N 2 0 269.348 2.378 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000876708424 650407906 /nfs/dbraw/zinc/40/79/06/650407906.db2.gz PUKJBZLMWBWDMV-QWHCGFSZSA-N 2 0 289.851 2.083 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911672222 638344990 /nfs/dbraw/zinc/34/49/90/638344990.db2.gz ISUBBGNUUYKMGI-OAHLLOKOSA-N 2 0 283.460 2.180 20 30 CEEDRP N#Cc1cnc(Cl)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000876929072 650490472 /nfs/dbraw/zinc/49/04/72/650490472.db2.gz GIGGEGNTJYFCFJ-LLVKDONJSA-N 2 0 290.798 2.181 20 30 CEEDRP CCCCCCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842478228 640077115 /nfs/dbraw/zinc/07/71/15/640077115.db2.gz FUUSVAZEBNKQTD-OAHLLOKOSA-N 2 0 279.432 2.344 20 30 CEEDRP CCCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000843377443 640410419 /nfs/dbraw/zinc/41/04/19/640410419.db2.gz WGMBHHLTTOUFOP-OAHLLOKOSA-N 2 0 283.460 2.276 20 30 CEEDRP C#CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000843427031 640426795 /nfs/dbraw/zinc/42/67/95/640426795.db2.gz ROYSRANKFBIWID-UHFFFAOYSA-N 2 0 297.446 2.284 20 30 CEEDRP C=CC[C@]1(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCC[NH2+]1 ZINC000877138555 650591731 /nfs/dbraw/zinc/59/17/31/650591731.db2.gz MOTJXLIOJJXBER-ZMSDIMECSA-N 2 0 285.391 2.138 20 30 CEEDRP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000181478931 641556814 /nfs/dbraw/zinc/55/68/14/641556814.db2.gz MSWLUTQUOXCUFY-MRXNPFEDSA-N 2 0 292.471 2.440 20 30 CEEDRP C[NH+]=C(NC[C@H](C(C)C)[NH+]1CCCCCC1)NC1CC1 ZINC000848984076 642206446 /nfs/dbraw/zinc/20/64/46/642206446.db2.gz KGBIDIXXSFUNQJ-OAHLLOKOSA-N 2 0 280.460 2.214 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000848987037 642209090 /nfs/dbraw/zinc/20/90/90/642209090.db2.gz GXZQROIOQQGWFK-KGLIPLIRSA-N 2 0 292.427 2.208 20 30 CEEDRP C=CCNC(=[NH2+])NCCCCCCC[NH+]1CCCC1 ZINC000848997105 642216840 /nfs/dbraw/zinc/21/68/40/642216840.db2.gz RYLXCKDVWLYTJD-UHFFFAOYSA-N 2 0 266.433 2.333 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999306662 642478424 /nfs/dbraw/zinc/47/84/24/642478424.db2.gz LAEUFZAJIXNHJD-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1csc(C#N)c1 ZINC000921828179 642702371 /nfs/dbraw/zinc/70/23/71/642702371.db2.gz SQQLIBRCJFCGME-ZDUSSCGKSA-N 2 0 281.425 2.066 20 30 CEEDRP CCCCCCCC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000110459462 643346337 /nfs/dbraw/zinc/34/63/37/643346337.db2.gz QBQKIEUYDURIML-UHFFFAOYSA-N 2 0 255.450 2.184 20 30 CEEDRP C=CC[C@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000878047614 650983424 /nfs/dbraw/zinc/98/34/24/650983424.db2.gz IWNOJCBSWNAXTD-OAHLLOKOSA-N 2 0 282.428 2.156 20 30 CEEDRP C#CCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771844975 646558622 /nfs/dbraw/zinc/55/86/22/646558622.db2.gz YYJODHQPEOKHIZ-UHFFFAOYSA-N 2 0 285.435 2.332 20 30 CEEDRP C[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1[O-])C[NH+](C)C ZINC000866363539 647756315 /nfs/dbraw/zinc/75/63/15/647756315.db2.gz JMORWJVYFABBFD-VXGBXAGGSA-N 2 0 261.369 2.112 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866616366 647843411 /nfs/dbraw/zinc/84/34/11/647843411.db2.gz XTTUREFFQUXNPA-KKXDTOCCSA-N 2 0 283.419 2.345 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000873215976 649592969 /nfs/dbraw/zinc/59/29/69/649592969.db2.gz HPESKKYDWFKTPQ-WBVHZDCISA-N 2 0 298.434 2.387 20 30 CEEDRP FC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880236929 651406339 /nfs/dbraw/zinc/40/63/39/651406339.db2.gz MJKVQGMFQZAKKC-HZPDHXFCSA-N 2 0 284.394 2.353 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1CC ZINC001087658567 805766025 /nfs/dbraw/zinc/76/60/25/805766025.db2.gz LAZCMXQRPZKYAF-JKSUJKDBSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030051 805821275 /nfs/dbraw/zinc/82/12/75/805821275.db2.gz MCGXBPZLBTUPAT-CVEARBPZSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCCC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203443223 805836768 /nfs/dbraw/zinc/83/67/68/805836768.db2.gz RAQSJVBRPHOSAM-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271861055 806120607 /nfs/dbraw/zinc/12/06/07/806120607.db2.gz LNKPUHZAXUGBTQ-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001271902970 806135686 /nfs/dbraw/zinc/13/56/86/806135686.db2.gz TZIWEOQJGFGHHE-HZPDHXFCSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001272178096 806570008 /nfs/dbraw/zinc/57/00/08/806570008.db2.gz BJKQGZRZQJHVBW-HZPDHXFCSA-N 2 0 295.471 2.216 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000996729758 808446548 /nfs/dbraw/zinc/44/65/48/808446548.db2.gz NMYKZQHOQFPSEF-UHFFFAOYSA-N 2 0 298.390 2.333 20 30 CEEDRP C[N@H+](CCCCCC[NH3+])C[C@H](O)c1ccc(C#N)cc1 ZINC000710800348 809994346 /nfs/dbraw/zinc/99/43/46/809994346.db2.gz WDDWMFOLNUGHKZ-INIZCTEOSA-N 2 0 275.396 2.043 20 30 CEEDRP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001266593861 802752944 /nfs/dbraw/zinc/75/29/44/802752944.db2.gz ZCXIACCUBRGKEQ-SHTZXODSSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179837 813379356 /nfs/dbraw/zinc/37/93/56/813379356.db2.gz AFKKOZMSFMRBGG-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167627241 803217264 /nfs/dbraw/zinc/21/72/64/803217264.db2.gz MUUGMXLSKJBJMZ-MRXNPFEDSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001268007937 803918261 /nfs/dbraw/zinc/91/82/61/803918261.db2.gz IZYJFTBTLOYWJM-MRXNPFEDSA-N 2 0 295.471 2.026 20 30 CEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167783892 804124158 /nfs/dbraw/zinc/12/41/58/804124158.db2.gz IPPOSRNULVTMLK-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028334465 804718019 /nfs/dbraw/zinc/71/80/19/804718019.db2.gz AQBZTSVEJNOGOO-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268691251 804929596 /nfs/dbraw/zinc/92/95/96/804929596.db2.gz RJMRWRJZZKZSME-GOEBONIOSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001269402147 805153920 /nfs/dbraw/zinc/15/39/20/805153920.db2.gz JDHPGBROOIVHBO-CVEARBPZSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001269677253 805227391 /nfs/dbraw/zinc/22/73/91/805227391.db2.gz OZFSUHWVMMZGNG-DOTOQJQBSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)CC)CC1 ZINC001225080226 807137717 /nfs/dbraw/zinc/13/77/17/807137717.db2.gz FXEKZXDUGAXKNS-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322850 807727242 /nfs/dbraw/zinc/72/72/42/807727242.db2.gz YPAMMEGBOZIGJR-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508754 815189895 /nfs/dbraw/zinc/18/98/95/815189895.db2.gz HWWHLDIADQYCIJ-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C(=O)OCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171621808 815204679 /nfs/dbraw/zinc/20/46/79/815204679.db2.gz QGXUVRCAXMAYQE-UHFFFAOYSA-N 2 0 282.428 2.347 20 30 CEEDRP C=CCCC[NH2+]CC[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001272888525 808840469 /nfs/dbraw/zinc/84/04/69/808840469.db2.gz BFGZYSJFCFXPKP-HNNXBMFYSA-N 2 0 293.455 2.065 20 30 CEEDRP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC001120596975 815242864 /nfs/dbraw/zinc/24/28/64/815242864.db2.gz NTZJNVLZOPCLFW-QGZVFWFLSA-N 2 0 289.423 2.159 20 30 CEEDRP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272978375 809043644 /nfs/dbraw/zinc/04/36/44/809043644.db2.gz RPERZWVIHCVIFD-PMPSAXMXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796005 810357223 /nfs/dbraw/zinc/35/72/23/810357223.db2.gz UKTGCISWCGGOPK-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001230374390 810539485 /nfs/dbraw/zinc/53/94/85/810539485.db2.gz VHYWCKRYGQERGG-OAHLLOKOSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699882 810881095 /nfs/dbraw/zinc/88/10/95/810881095.db2.gz YBZADPYWPJRSKT-OAHLLOKOSA-N 2 0 298.390 2.057 20 30 CEEDRP C[C@H](CCCC#N)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172485440 815435914 /nfs/dbraw/zinc/43/59/14/815435914.db2.gz QIJAYBNGWOKSMI-OLZOCXBDSA-N 2 0 298.431 2.248 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2nncc2C[NH3+])cc1 ZINC001169311153 811484336 /nfs/dbraw/zinc/48/43/36/811484336.db2.gz DFWHFGGSRYPNBX-MRXNPFEDSA-N 2 0 283.379 2.049 20 30 CEEDRP C#Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)c1 ZINC001206014718 811616733 /nfs/dbraw/zinc/61/67/33/811616733.db2.gz XYKOIRWGTLNBBR-RHSMWYFYSA-N 2 0 256.393 2.475 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797296 811664548 /nfs/dbraw/zinc/66/45/48/811664548.db2.gz CZGZLIQQVCPUQI-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110022421 811984984 /nfs/dbraw/zinc/98/49/84/811984984.db2.gz XEWDOSHQDCSYAJ-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983906 812967433 /nfs/dbraw/zinc/96/74/33/812967433.db2.gz PEWMJLSHMSYNIE-ZDUSSCGKSA-N 2 0 293.411 2.015 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133685120 813136621 /nfs/dbraw/zinc/13/66/21/813136621.db2.gz QIYZOKVGLKFIMQ-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001159335163 813354430 /nfs/dbraw/zinc/35/44/30/813354430.db2.gz TXYXWGRLQFTFFO-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@]([NH3+])(CC)CO)cc1 ZINC001170866831 813563759 /nfs/dbraw/zinc/56/37/59/813563759.db2.gz ZTMBZLUUAKFLIR-IRXDYDNUSA-N 2 0 289.423 2.479 20 30 CEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001091144033 814087369 /nfs/dbraw/zinc/08/73/69/814087369.db2.gz GXPQZYURHVXDDP-UHFFFAOYSA-N 2 0 298.390 2.008 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595220 814298623 /nfs/dbraw/zinc/29/86/23/814298623.db2.gz XQZULDLBSBNQSG-CABCVRRESA-N 2 0 283.460 2.166 20 30 CEEDRP C=C(C)CC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708138 814749032 /nfs/dbraw/zinc/74/90/32/814749032.db2.gz QAFYUAAGUKXHNX-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206196641 815625023 /nfs/dbraw/zinc/62/50/23/815625023.db2.gz CJDGACICFOSVMK-HUUCEWRRSA-N 2 0 261.344 2.128 20 30 CEEDRP N#CCC1CCC(NC(=[NH2+])SCCSC(N)=[NH2+])CC1 ZINC001173329857 815677382 /nfs/dbraw/zinc/67/73/82/815677382.db2.gz KNMCLNMAJVBIHP-UHFFFAOYSA-N 2 0 299.469 2.343 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256772 816163016 /nfs/dbraw/zinc/16/30/16/816163016.db2.gz OJDPQCVBWDWPQC-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563620 816441255 /nfs/dbraw/zinc/44/12/55/816441255.db2.gz GGMXYBGQFOGPGA-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853961 816804396 /nfs/dbraw/zinc/80/43/96/816804396.db2.gz QVYJBCNEOSDUJV-UHFFFAOYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925794 816810208 /nfs/dbraw/zinc/81/02/08/816810208.db2.gz KBALDLCDTXXSDH-XHSDSOJGSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001179591287 816880599 /nfs/dbraw/zinc/88/05/99/816880599.db2.gz SOZJBIGNCRMVMV-HZPDHXFCSA-N 2 0 295.471 2.026 20 30 CEEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252847247 344641892 /nfs/dbraw/zinc/64/18/92/344641892.db2.gz FXYZIXCOGHJHRE-HRCADAONSA-N 2 0 255.365 2.117 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000602546021 347071940 /nfs/dbraw/zinc/07/19/40/347071940.db2.gz AVJJHJDRKNIBDY-HUUCEWRRSA-N 2 0 279.428 2.017 20 30 CEEDRP CC[NH+](CC)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602588944 347090747 /nfs/dbraw/zinc/09/07/47/347090747.db2.gz VWBMVOKPNCPBMH-HNNXBMFYSA-N 2 0 281.444 2.407 20 30 CEEDRP C[NH+](C)CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)(C)C ZINC000598718941 346406862 /nfs/dbraw/zinc/40/68/62/346406862.db2.gz HVNJAWNODGHORG-KBPBESRZSA-N 2 0 283.460 2.243 20 30 CEEDRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598720129 346407499 /nfs/dbraw/zinc/40/74/99/346407499.db2.gz MLOYELMKQDNMET-HNNXBMFYSA-N 2 0 283.460 2.386 20 30 CEEDRP COc1cc(CNC[C@@H]2CCCC[N@H+](C)C2)ccc1C#N ZINC000598994350 346443607 /nfs/dbraw/zinc/44/36/07/346443607.db2.gz KPEZGYMLYDJUFC-HNNXBMFYSA-N 2 0 287.407 2.388 20 30 CEEDRP CC(C)[NH+](CCC[NH2+]C[C@H](O)CC1(C#N)CC1)C(C)C ZINC000600727544 346679582 /nfs/dbraw/zinc/67/95/82/346679582.db2.gz JSGNBMMBKACMQS-OAHLLOKOSA-N 2 0 281.444 2.140 20 30 CEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000600751391 346684503 /nfs/dbraw/zinc/68/45/03/346684503.db2.gz QZSNDTWIUFJIPT-HZPDHXFCSA-N 2 0 293.455 2.284 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000600769028 346686231 /nfs/dbraw/zinc/68/62/31/346686231.db2.gz JMMNAMWDOGOAMV-CQSZACIVSA-N 2 0 273.380 2.363 20 30 CEEDRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994037 347728942 /nfs/dbraw/zinc/72/89/42/347728942.db2.gz RUZDDVQCYUXILI-INIZCTEOSA-N 2 0 272.396 2.259 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000618888501 349060958 /nfs/dbraw/zinc/06/09/58/349060958.db2.gz VHRUVULKXDOMAO-CABCVRRESA-N 2 0 279.428 2.017 20 30 CEEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092381080 180371895 /nfs/dbraw/zinc/37/18/95/180371895.db2.gz GLYBWVZTHWUPPJ-UHFFFAOYSA-N 2 0 261.369 2.315 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000130558399 365967253 /nfs/dbraw/zinc/96/72/53/365967253.db2.gz WYFJBTAPJGRVHT-CQSZACIVSA-N 2 0 292.427 2.065 20 30 CEEDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000157790941 188339726 /nfs/dbraw/zinc/33/97/26/188339726.db2.gz YMQZKSRGBYQAPV-ZFWWWQNUSA-N 2 0 273.380 2.161 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332378140 283058636 /nfs/dbraw/zinc/05/86/36/283058636.db2.gz FMQPJGBNFQHOCR-IWCQGFGOSA-N 2 0 291.439 2.036 20 30 CEEDRP C=C(C)[C@H](CO)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401192 541408478 /nfs/dbraw/zinc/40/84/78/541408478.db2.gz IHDBEYHRQBBLCP-YCPHGPKFSA-N 2 0 266.429 2.166 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346652677 368752933 /nfs/dbraw/zinc/75/29/33/368752933.db2.gz HVCKWZVGTMUJOE-ZFWWWQNUSA-N 2 0 290.407 2.429 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822468 369411708 /nfs/dbraw/zinc/41/17/08/369411708.db2.gz POSVSNZOZXPWFA-CVEARBPZSA-N 2 0 287.407 2.409 20 30 CEEDRP C=C(C)CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000352050921 369662473 /nfs/dbraw/zinc/66/24/73/369662473.db2.gz WOIMPYBQJJJRBX-INIZCTEOSA-N 2 0 265.445 2.055 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396783 369709005 /nfs/dbraw/zinc/70/90/05/369709005.db2.gz AHRMFSMKXNAWQV-CZUORRHYSA-N 2 0 274.412 2.059 20 30 CEEDRP CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191343692 369703929 /nfs/dbraw/zinc/70/39/29/369703929.db2.gz LNVXQJVYVFPWLC-HNNXBMFYSA-N 2 0 297.406 2.493 20 30 CEEDRP C=C(C)[C@@H](CO)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985953 371714364 /nfs/dbraw/zinc/71/43/64/371714364.db2.gz GJEWFUARFVJIAU-OAHLLOKOSA-N 2 0 266.429 2.264 20 30 CEEDRP CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000264143659 371978829 /nfs/dbraw/zinc/97/88/29/371978829.db2.gz XGZFCIVCQMRKHE-AWEZNQCLSA-N 2 0 288.439 2.485 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCC[N@@H+](CC)C2CC2)c1 ZINC000264299428 371990074 /nfs/dbraw/zinc/99/00/74/371990074.db2.gz RNCHJXRUNHONKW-UHFFFAOYSA-N 2 0 274.412 2.460 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000269439105 372449211 /nfs/dbraw/zinc/44/92/11/372449211.db2.gz RXGLDSDAPYRSCR-HNNXBMFYSA-N 2 0 293.386 2.144 20 30 CEEDRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290393733 376760298 /nfs/dbraw/zinc/76/02/98/376760298.db2.gz IYLHOWGXGMWJOK-UHFFFAOYSA-N 2 0 258.325 2.178 20 30 CEEDRP COCC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[NH2+]CC1 ZINC000423411984 377270182 /nfs/dbraw/zinc/27/01/82/377270182.db2.gz VXRZJTBSQHXDOC-QGZVFWFLSA-N 2 0 299.418 2.151 20 30 CEEDRP COc1cc(C#N)ccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292925387 377354612 /nfs/dbraw/zinc/35/46/12/377354612.db2.gz IPZHLURPASLUQO-GOSISDBHSA-N 2 0 299.418 2.485 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000305071069 379620942 /nfs/dbraw/zinc/62/09/42/379620942.db2.gz JIZTUTPSRVQBLL-CVEARBPZSA-N 2 0 266.429 2.121 20 30 CEEDRP CCCNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000303885241 394480630 /nfs/dbraw/zinc/48/06/30/394480630.db2.gz NCJTVCHFCDBEBX-UHFFFAOYSA-N 2 0 294.468 2.274 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC1 ZINC000261904916 394609303 /nfs/dbraw/zinc/60/93/03/394609303.db2.gz WUFGKDUWTLKJSQ-LBPRGKRZSA-N 2 0 292.452 2.027 20 30 CEEDRP C[N@H+]1CC=C(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)CC1 ZINC000263173139 394627317 /nfs/dbraw/zinc/62/73/17/394627317.db2.gz SCGOBNNEVMCLKY-UHFFFAOYSA-N 2 0 284.407 2.164 20 30 CEEDRP C[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267203487 394674264 /nfs/dbraw/zinc/67/42/64/394674264.db2.gz FFABMRVYNSJBNB-AWEZNQCLSA-N 2 0 286.423 2.386 20 30 CEEDRP C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCc2ccccc21 ZINC000103903460 394716846 /nfs/dbraw/zinc/71/68/46/394716846.db2.gz FCOXATLXQGRWRH-ZDUSSCGKSA-N 2 0 286.423 2.107 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000104155616 394718894 /nfs/dbraw/zinc/71/88/94/394718894.db2.gz RNGDANQNSGYIMB-HNNXBMFYSA-N 2 0 274.412 2.138 20 30 CEEDRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)ccc1C#N ZINC000415007208 394846211 /nfs/dbraw/zinc/84/62/11/394846211.db2.gz RALXCPQPORWDNH-WFASDCNBSA-N 2 0 273.380 2.174 20 30 CEEDRP C=CCOc1ccc(CN2CCC[C@@H]2C[NH2+]C)cc1 ZINC000347004579 395115931 /nfs/dbraw/zinc/11/59/31/395115931.db2.gz ADSAXFHIRXFSRP-OAHLLOKOSA-N 2 0 260.381 2.435 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000651677653 401370393 /nfs/dbraw/zinc/37/03/93/401370393.db2.gz PGQRHJITQZZBHT-BBWFWOEESA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCOCCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000657657910 415037865 /nfs/dbraw/zinc/03/78/65/415037865.db2.gz FVQAZXNHCJOPRQ-UHFFFAOYSA-N 2 0 286.379 2.258 20 30 CEEDRP C=CCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325203 415780665 /nfs/dbraw/zinc/78/06/65/415780665.db2.gz CPRNVPVSLNXXNK-HNNXBMFYSA-N 2 0 254.418 2.385 20 30 CEEDRP C=C(C)CC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364368293 262219690 /nfs/dbraw/zinc/21/96/90/262219690.db2.gz ZOAWAZHKRKZTQU-MRXNPFEDSA-N 2 0 265.445 2.053 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000264054607 262860734 /nfs/dbraw/zinc/86/07/34/262860734.db2.gz NSHMMMAJRLCFAO-CQSZACIVSA-N 2 0 292.427 2.067 20 30 CEEDRP CCCNC(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000264122852 262876086 /nfs/dbraw/zinc/87/60/86/262876086.db2.gz VJBRPDJODUBDKR-UHFFFAOYSA-N 2 0 276.428 2.343 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000414960498 263164720 /nfs/dbraw/zinc/16/47/20/263164720.db2.gz QVWQPZYPUNQGPN-XJKSGUPXSA-N 2 0 260.381 2.339 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414965018 263169009 /nfs/dbraw/zinc/16/90/09/263169009.db2.gz VMBXUWHVCVHCOY-CZUORRHYSA-N 2 0 260.381 2.339 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc(OC)c1O ZINC000415039321 263257274 /nfs/dbraw/zinc/25/72/74/263257274.db2.gz NWVHBNAGUWGJIT-SWLSCSKDSA-N 2 0 290.407 2.346 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423216348 270873291 /nfs/dbraw/zinc/87/32/91/270873291.db2.gz RTRDTEJNUGSMMB-VXGBXAGGSA-N 2 0 261.344 2.348 20 30 CEEDRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174351257 312689770 /nfs/dbraw/zinc/68/97/70/312689770.db2.gz PPYZCZYTILBTAV-UHFFFAOYSA-N 2 0 261.369 2.363 20 30 CEEDRP C=C(CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000287308633 328250729 /nfs/dbraw/zinc/25/07/29/328250729.db2.gz UFMNBDTYDQRMQJ-INIZCTEOSA-N 2 0 286.423 2.088 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414968247 328283992 /nfs/dbraw/zinc/28/39/92/328283992.db2.gz YHCLKPLCBGETEP-ZFWWWQNUSA-N 2 0 290.407 2.348 20 30 CEEDRP C=CCCC[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420391519 329763635 /nfs/dbraw/zinc/76/36/35/329763635.db2.gz OJPIEMYPPCZFCS-CABCVRRESA-N 2 0 252.402 2.171 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262417089 330009089 /nfs/dbraw/zinc/00/90/89/330009089.db2.gz QIVYDSRUQPRXBG-JSGCOSHPSA-N 2 0 294.468 2.444 20 30 CEEDRP CN1CC[NH+]=C1NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000262655412 330024802 /nfs/dbraw/zinc/02/48/02/330024802.db2.gz LMUGKGZLCWXNRJ-UHFFFAOYSA-N 2 0 286.423 2.064 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262886367 330036318 /nfs/dbraw/zinc/03/63/18/330036318.db2.gz MTHLQVBEIHLQSX-AWEZNQCLSA-N 2 0 294.487 2.460 20 30 CEEDRP N#CCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033961 330166310 /nfs/dbraw/zinc/16/63/10/330166310.db2.gz PGRLFRDWYGGGLT-ZBFHGGJFSA-N 2 0 271.364 2.136 20 30 CEEDRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424146686 330293328 /nfs/dbraw/zinc/29/33/28/330293328.db2.gz PZBGGPCNNBJPBV-AWEZNQCLSA-N 2 0 288.395 2.016 20 30 CEEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424375178 330348395 /nfs/dbraw/zinc/34/83/95/330348395.db2.gz MNGGGAVTEHJEOS-KGYLQXTDSA-N 2 0 258.369 2.192 20 30 CEEDRP C(#CC[NH+]1C[C@@H]2CCC[C@H]2C1)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000472604394 331539931 /nfs/dbraw/zinc/53/99/31/331539931.db2.gz PIFNMSQREDLXFB-XSLAGTTESA-N 2 0 272.436 2.454 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000491666760 332275219 /nfs/dbraw/zinc/27/52/19/332275219.db2.gz XEULZFVKWCFOOK-OAHLLOKOSA-N 2 0 298.434 2.429 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000188803179 333174085 /nfs/dbraw/zinc/17/40/85/333174085.db2.gz BRJXEOMTRCWHOL-HUUCEWRRSA-N 2 0 254.418 2.289 20 30 CEEDRP CN(C)CC[NH+]1CCC(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174351727 335153330 /nfs/dbraw/zinc/15/33/30/335153330.db2.gz FJSDHGWOLKTKDZ-UHFFFAOYSA-N 2 0 294.487 2.180 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000347099951 526868546 /nfs/dbraw/zinc/86/85/46/526868546.db2.gz JOUAGEZASUTMQI-HNNXBMFYSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669915 527424782 /nfs/dbraw/zinc/42/47/82/527424782.db2.gz KHPIXXYZSLQRHJ-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000729682253 574490632 /nfs/dbraw/zinc/49/06/32/574490632.db2.gz YIYPGGPQAAGKAM-ZFWWWQNUSA-N 2 0 285.391 2.304 20 30 CEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC000964364111 613347166 /nfs/dbraw/zinc/34/71/66/613347166.db2.gz SBBVLUJSASVKNN-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981557169 613497264 /nfs/dbraw/zinc/49/72/64/613497264.db2.gz RLMFKEDSXURPEW-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC000970453502 613865221 /nfs/dbraw/zinc/86/52/21/613865221.db2.gz RTMAMQQIZFIJFW-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981197829 613872303 /nfs/dbraw/zinc/87/23/03/613872303.db2.gz CLBLQMWHJTYKOH-LSDHHAIUSA-N 2 0 298.390 2.151 20 30 CEEDRP C#CC[NH+](C)CCCN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000328245086 627870648 /nfs/dbraw/zinc/87/06/48/627870648.db2.gz HZWBALYZYNWHOZ-IEBWSBKVSA-N 2 0 299.462 2.194 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000104160672 628630385 /nfs/dbraw/zinc/63/03/85/628630385.db2.gz BZTGEGLFWUVHPE-OAHLLOKOSA-N 2 0 280.460 2.367 20 30 CEEDRP C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925770695 628768484 /nfs/dbraw/zinc/76/84/84/628768484.db2.gz KOBYCOTVDNDLME-RBSFLKMASA-N 2 0 254.418 2.214 20 30 CEEDRP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261935862 629346230 /nfs/dbraw/zinc/34/62/30/629346230.db2.gz CKFHKGQNWRKQOF-CZUORRHYSA-N 2 0 290.455 2.135 20 30 CEEDRP C#CCCCCCC[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000894375255 629406157 /nfs/dbraw/zinc/40/61/57/629406157.db2.gz JCNGVJWNQPDMBH-UHFFFAOYSA-N 2 0 279.472 2.187 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000261988479 629410977 /nfs/dbraw/zinc/41/09/77/629410977.db2.gz KYORHBMTJPRUIZ-ZIAGYGMSSA-N 2 0 280.460 2.223 20 30 CEEDRP C[NH+]1CCC(C[N@@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000895667419 630298279 /nfs/dbraw/zinc/29/82/79/630298279.db2.gz NIWRCGXYFVSBIG-UHFFFAOYSA-N 2 0 283.419 2.453 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989121677 631729188 /nfs/dbraw/zinc/72/91/88/631729188.db2.gz UGKOIDLSXOFFCG-HIFRSBDPSA-N 2 0 298.390 2.103 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000809612002 632111055 /nfs/dbraw/zinc/11/10/55/632111055.db2.gz SYCYDKOTSOCKNN-QGZVFWFLSA-N 2 0 256.393 2.489 20 30 CEEDRP C=CC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000898456719 632504613 /nfs/dbraw/zinc/50/46/13/632504613.db2.gz CPZHRBLWLUURGU-UHFFFAOYSA-N 2 0 273.424 2.493 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000900214632 633594794 /nfs/dbraw/zinc/59/47/94/633594794.db2.gz GJUMNMFAGDNIAM-OAHLLOKOSA-N 2 0 295.471 2.123 20 30 CEEDRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017960 634927323 /nfs/dbraw/zinc/92/73/23/634927323.db2.gz ULVXJMVDVHILTQ-ZIAGYGMSSA-N 2 0 272.396 2.336 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903177732 634999652 /nfs/dbraw/zinc/99/96/52/634999652.db2.gz AQIZUDWTKCVLHS-HJGRSGLPSA-N 2 0 262.397 2.077 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000904409653 635615016 /nfs/dbraw/zinc/61/50/16/635615016.db2.gz FOXFSOJENOXMOS-AWEZNQCLSA-N 2 0 260.381 2.422 20 30 CEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905600041 636335803 /nfs/dbraw/zinc/33/58/03/636335803.db2.gz GKAQIGNJXVHBES-ISXOHVOVSA-N 2 0 293.455 2.284 20 30 CEEDRP CCC[NH+]1CCC(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000126025112 650327469 /nfs/dbraw/zinc/32/74/69/650327469.db2.gz AVYSNXZZHVVQGK-UHFFFAOYSA-N 2 0 280.460 2.299 20 30 CEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993609402 640659145 /nfs/dbraw/zinc/65/91/45/640659145.db2.gz BNQFRWYMNCPQDP-BBRMVZONSA-N 2 0 298.390 2.103 20 30 CEEDRP Nc1ccc2c(c1)C(=[NH+]NCCCn1ccnc1)CCC2 ZINC000848416236 641984198 /nfs/dbraw/zinc/98/41/98/641984198.db2.gz DAHKAZABCSKIHC-UHFFFAOYSA-N 2 0 283.379 2.186 20 30 CEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001015971604 642165707 /nfs/dbraw/zinc/16/57/07/642165707.db2.gz BUVHHSYOLZYUCD-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000848981466 642203966 /nfs/dbraw/zinc/20/39/66/642203966.db2.gz BDUSADSCOIEWSN-HNNXBMFYSA-N 2 0 272.396 2.123 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001000381591 642597675 /nfs/dbraw/zinc/59/76/75/642597675.db2.gz ZPAFLMJIWMHWMQ-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCOCC[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000851731470 643131502 /nfs/dbraw/zinc/13/15/02/643131502.db2.gz RMGPKCDIQSMKKH-UHFFFAOYSA-N 2 0 266.429 2.080 20 30 CEEDRP C=CC[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005665143 643429518 /nfs/dbraw/zinc/42/95/18/643429518.db2.gz SYWWUFRQNXCVID-UHFFFAOYSA-N 2 0 298.390 2.057 20 30 CEEDRP CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923335080 643667037 /nfs/dbraw/zinc/66/70/37/643667037.db2.gz IIHIHEDLTPKBIL-SJORKVTESA-N 2 0 287.407 2.056 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020812 650975915 /nfs/dbraw/zinc/97/59/15/650975915.db2.gz QMSYOKBFMABAHV-ZACQAIPSSA-N 2 0 279.472 2.441 20 30 CEEDRP C#CCOCC[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000859998143 645672164 /nfs/dbraw/zinc/67/21/64/645672164.db2.gz XJCHFZRPSPZLGO-UHFFFAOYSA-N 2 0 274.408 2.220 20 30 CEEDRP C[NH+]1CCC(CN(CCC#N)Cc2ccco2)CC1 ZINC000788481338 648193017 /nfs/dbraw/zinc/19/30/17/648193017.db2.gz IRIJJUZWECNXNQ-UHFFFAOYSA-N 2 0 261.369 2.337 20 30 CEEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)[C@@H]1CCC[NH3+] ZINC000872144768 649295028 /nfs/dbraw/zinc/29/50/28/649295028.db2.gz HGORKXBAJNSEMY-IUODEOHRSA-N 2 0 261.369 2.491 20 30 CEEDRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000873290496 649628754 /nfs/dbraw/zinc/62/87/54/649628754.db2.gz FFDNMVBHFGMIHI-RHSMWYFYSA-N 2 0 299.418 2.368 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271425666 805939399 /nfs/dbraw/zinc/93/93/99/805939399.db2.gz IXDNFOUHTVHKQY-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088325942 806119550 /nfs/dbraw/zinc/11/95/50/806119550.db2.gz CCKNICRMALGQEL-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621689 806569156 /nfs/dbraw/zinc/56/91/56/806569156.db2.gz OOXCRPPXONTQCX-OAGGEKHMSA-N 2 0 293.455 2.014 20 30 CEEDRP CC[NH+]1CCC(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001208598832 802387373 /nfs/dbraw/zinc/38/73/73/802387373.db2.gz YSROMCLHQGEJOX-PHZGNYQRSA-N 2 0 261.413 2.485 20 30 CEEDRP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266853070 802943105 /nfs/dbraw/zinc/94/31/05/802943105.db2.gz DSSMFULFFXYHET-JKSUJKDBSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132437716 812852733 /nfs/dbraw/zinc/85/27/33/812852733.db2.gz XPCLWBKNRNJDKK-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266995628 803044405 /nfs/dbraw/zinc/04/44/05/803044405.db2.gz VRGQBYUTZSEKSU-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001267116900 803140093 /nfs/dbraw/zinc/14/00/93/803140093.db2.gz JIQJIYGQRXMYRI-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181474 813379764 /nfs/dbraw/zinc/37/97/64/813379764.db2.gz PZEJVXSKUHXREG-GJZGRUSLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267435828 803466580 /nfs/dbraw/zinc/46/65/80/803466580.db2.gz BYTYGRLXIYCDHB-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001038322518 803574510 /nfs/dbraw/zinc/57/45/10/803574510.db2.gz SAFWKDQOYMBJBR-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCN1CC[NH+]([C@@H](C)CCC[NH+](CC)CC)CC1 ZINC001167826169 804385402 /nfs/dbraw/zinc/38/54/02/804385402.db2.gz NVQYPUPQLTZRHK-INIZCTEOSA-N 2 0 267.461 2.301 20 30 CEEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001028181240 804518846 /nfs/dbraw/zinc/51/88/46/804518846.db2.gz PHKPAMVCTAJANH-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+]C[C@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001269677254 805227369 /nfs/dbraw/zinc/22/73/69/805227369.db2.gz OZFSUHWVMMZGNG-NVXWUHKLSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034642719 809649927 /nfs/dbraw/zinc/64/99/27/809649927.db2.gz JUTQRDUZFPABER-JYJNAYRXSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000172621134 810409585 /nfs/dbraw/zinc/40/95/85/810409585.db2.gz ONLGNNYUJVFXSU-INIZCTEOSA-N 2 0 293.455 2.016 20 30 CEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H]1COC(C)(C)C1 ZINC001172279175 815373696 /nfs/dbraw/zinc/37/36/96/815373696.db2.gz FZXCZJQVSIUHRQ-HNNXBMFYSA-N 2 0 275.396 2.221 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001020151171 810773463 /nfs/dbraw/zinc/77/34/63/810773463.db2.gz NTHBDIWNPXDRMB-SHTZXODSSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCCC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001113104537 812163688 /nfs/dbraw/zinc/16/36/88/812163688.db2.gz GLCRYPUPUNSFLL-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052717740 812452167 /nfs/dbraw/zinc/45/21/67/812452167.db2.gz YOXINVDELUUPTH-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433038 812851063 /nfs/dbraw/zinc/85/10/63/812851063.db2.gz JRDYKJAQRQPJFH-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132736959 812935091 /nfs/dbraw/zinc/93/50/91/812935091.db2.gz GUWTZOCJGHFODJ-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531492 813003590 /nfs/dbraw/zinc/00/35/90/813003590.db2.gz KDKIBZWYYQSFLA-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133419938 813054061 /nfs/dbraw/zinc/05/40/61/813054061.db2.gz ZCTMEGWUBZFKEA-OAHLLOKOSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086746908 813480462 /nfs/dbraw/zinc/48/04/62/813480462.db2.gz XOJSSTLVVYLRMW-DZGCQCFKSA-N 2 0 298.390 2.008 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995461 813582331 /nfs/dbraw/zinc/58/23/31/813582331.db2.gz FXOJEXNUTWXYDN-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614599 814300873 /nfs/dbraw/zinc/30/08/73/814300873.db2.gz YWYGJKAFJBOCOT-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP N#CCC1CCC([N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)CC1 ZINC001246944200 814459968 /nfs/dbraw/zinc/45/99/68/814459968.db2.gz VYVBLVQZLMMGQR-IRHLINNNSA-N 2 0 261.413 2.390 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171360175 814660092 /nfs/dbraw/zinc/66/00/92/814660092.db2.gz XKUBQPUPDBJIKP-HOTGVXAUSA-N 2 0 297.487 2.413 20 30 CEEDRP CC[NH+](CC)CCN(CC[NH3+])C1CCC(CC#N)CC1 ZINC001173329085 815677851 /nfs/dbraw/zinc/67/78/51/815677851.db2.gz AFHUTRTZUFJVED-UHFFFAOYSA-N 2 0 280.460 2.061 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262714 816164449 /nfs/dbraw/zinc/16/44/49/816164449.db2.gz KIKRMZHDIWEPGV-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C[NH+]1CCN(c2ccccc2CN2CCC[C@@H](C#N)C2)CC1 ZINC001140970946 816428243 /nfs/dbraw/zinc/42/82/43/816428243.db2.gz AJJHUFCYOSUOMA-INIZCTEOSA-N 2 0 298.434 2.174 20 30 CEEDRP COc1cc(C#N)ccc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121136049 365525816 /nfs/dbraw/zinc/52/58/16/365525816.db2.gz BKJSYVWWSPNEPP-CJNGLKHVSA-N 2 0 287.407 2.481 20 30 CEEDRP CC[NH+](CC)[C@@H](CNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000066242223 343709492 /nfs/dbraw/zinc/70/94/92/343709492.db2.gz VMCCDKNKWLFZKX-MRXNPFEDSA-N 2 0 288.439 2.006 20 30 CEEDRP C=CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960874 343727865 /nfs/dbraw/zinc/72/78/65/343727865.db2.gz OVBSGLDCGDXORF-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052668 344074626 /nfs/dbraw/zinc/07/46/26/344074626.db2.gz GSUPFBKCYMRKIR-HNNXBMFYSA-N 2 0 288.439 2.377 20 30 CEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)CC1 ZINC000602481132 347053288 /nfs/dbraw/zinc/05/32/88/347053288.db2.gz FICIDSXTRMFGJG-SJORKVTESA-N 2 0 292.471 2.027 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1C#N ZINC000314332835 344745236 /nfs/dbraw/zinc/74/52/36/344745236.db2.gz OGNDRQCFBSBINM-RDJZCZTQSA-N 2 0 285.391 2.128 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404062282 530047484 /nfs/dbraw/zinc/04/74/84/530047484.db2.gz MLTWFXZOLWKBDI-UHFFFAOYSA-N 2 0 259.328 2.049 20 30 CEEDRP N#CC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000602553837 347074677 /nfs/dbraw/zinc/07/46/77/347074677.db2.gz WCFQQQGHSSIGQB-PCKAHOCUSA-N 2 0 291.439 2.159 20 30 CEEDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573468 345265400 /nfs/dbraw/zinc/26/54/00/345265400.db2.gz ZCZIEJOGMBQEHR-CYBMUJFWSA-N 2 0 281.787 2.055 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000591579338 345266288 /nfs/dbraw/zinc/26/62/88/345266288.db2.gz LZWLQLGNYNKVOL-WFASDCNBSA-N 2 0 255.365 2.351 20 30 CEEDRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)CCC#N)CC2)CC1 ZINC000593020068 345424109 /nfs/dbraw/zinc/42/41/09/345424109.db2.gz IKUNBRXVKDDBSZ-INIZCTEOSA-N 2 0 292.471 2.169 20 30 CEEDRP C[C@@H]1C[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324146 345466657 /nfs/dbraw/zinc/46/66/57/345466657.db2.gz YNLRBQSKIRYVJG-OLZOCXBDSA-N 2 0 255.365 2.262 20 30 CEEDRP C[C@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000057994482 362604728 /nfs/dbraw/zinc/60/47/28/362604728.db2.gz ZKQXHVAZEYHRAB-CQSZACIVSA-N 2 0 257.381 2.380 20 30 CEEDRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000595055591 345735312 /nfs/dbraw/zinc/73/53/12/345735312.db2.gz GXNMHUAODCRQAA-CJNGLKHVSA-N 2 0 257.381 2.173 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595058179 345736625 /nfs/dbraw/zinc/73/66/25/345736625.db2.gz YWNIXURSPUQTLS-YOEHRIQHSA-N 2 0 271.408 2.421 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000595887563 345906824 /nfs/dbraw/zinc/90/68/24/345906824.db2.gz FZCZMSSDOHUEFQ-ULQDDVLXSA-N 2 0 269.392 2.160 20 30 CEEDRP C[C@@]1(C#N)CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595905306 345910714 /nfs/dbraw/zinc/91/07/14/345910714.db2.gz SWVRDDXLUVCMTM-INIZCTEOSA-N 2 0 255.365 2.068 20 30 CEEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000598595053 346380619 /nfs/dbraw/zinc/38/06/19/346380619.db2.gz MIMHPUNKCUIUOC-HZPDHXFCSA-N 2 0 293.455 2.095 20 30 CEEDRP C[N@@H+](Cc1cccc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000063120758 362751003 /nfs/dbraw/zinc/75/10/03/362751003.db2.gz ZJYNLKKBOKDOSZ-UHFFFAOYSA-N 2 0 257.381 2.332 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000600712171 346675762 /nfs/dbraw/zinc/67/57/62/346675762.db2.gz VKWBNMQRKFWKET-INIZCTEOSA-N 2 0 285.391 2.033 20 30 CEEDRP C[N@H+](CCC[NH2+]C[C@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719308 346677775 /nfs/dbraw/zinc/67/77/75/346677775.db2.gz UXUCLLLFJWDANZ-MRXNPFEDSA-N 2 0 293.455 2.285 20 30 CEEDRP C[C@H](CCC#N)CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000602741848 347182139 /nfs/dbraw/zinc/18/21/39/347182139.db2.gz WIIMQNVVMSYGIG-CQSZACIVSA-N 2 0 287.411 2.185 20 30 CEEDRP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694782 539945645 /nfs/dbraw/zinc/94/56/45/539945645.db2.gz MMEGRKKHXBCSCS-GOEBONIOSA-N 2 0 289.423 2.336 20 30 CEEDRP CC#CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000155637307 188218505 /nfs/dbraw/zinc/21/85/05/188218505.db2.gz VPJZTHMDOOPSPQ-UHFFFAOYSA-N 2 0 299.462 2.149 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000153025679 366725582 /nfs/dbraw/zinc/72/55/82/366725582.db2.gz IUYGVIDGCAQQCO-GOEBONIOSA-N 2 0 277.456 2.242 20 30 CEEDRP C[N@H+](CCOc1cccc(C#N)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118842188 365183018 /nfs/dbraw/zinc/18/30/18/365183018.db2.gz YHFPFXQERJYANR-INIZCTEOSA-N 2 0 287.407 2.211 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592286 367904888 /nfs/dbraw/zinc/90/48/88/367904888.db2.gz HYRSDSXKDVUZJK-KEYYUXOJSA-N 2 0 271.408 2.419 20 30 CEEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@H](C)c1cccnc1)c1cccnc1 ZINC000276344073 193294478 /nfs/dbraw/zinc/29/44/78/193294478.db2.gz URKAAIFZABEQOS-HZPDHXFCSA-N 2 0 294.402 2.481 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000192839411 369859921 /nfs/dbraw/zinc/85/99/21/369859921.db2.gz HNXMEFGGOCQZGU-CYBMUJFWSA-N 2 0 262.401 2.111 20 30 CEEDRP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)ccc1C#N ZINC000234800369 370543050 /nfs/dbraw/zinc/54/30/50/370543050.db2.gz IVNNVQPKEFYTLJ-HNNXBMFYSA-N 2 0 275.396 2.372 20 30 CEEDRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)ccc1C#N ZINC000234964138 370552673 /nfs/dbraw/zinc/55/26/73/370552673.db2.gz ITNUTJLNVHEUSL-LBPRGKRZSA-N 2 0 273.380 2.126 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248169075 371166715 /nfs/dbraw/zinc/16/67/15/371166715.db2.gz UJXJPQWECWHXIS-YQQAZPJKSA-N 2 0 279.472 2.345 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000264045833 371957214 /nfs/dbraw/zinc/95/72/14/371957214.db2.gz KQOPZOAXKSDOLN-ZIAGYGMSSA-N 2 0 292.427 2.065 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264075136 371963393 /nfs/dbraw/zinc/96/33/93/371963393.db2.gz HABKFQSKKVKGHB-MRXNPFEDSA-N 2 0 286.423 2.386 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264113458 371972359 /nfs/dbraw/zinc/97/23/59/371972359.db2.gz RRSYHAAWJQDJKN-CYBMUJFWSA-N 2 0 292.452 2.050 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000370557005 373684553 /nfs/dbraw/zinc/68/45/53/373684553.db2.gz JCJGIUJGZNGKAG-KRWDZBQOSA-N 2 0 296.374 2.194 20 30 CEEDRP C=CCC[C@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075565 374482535 /nfs/dbraw/zinc/48/25/35/374482535.db2.gz VHIPNBFCSYWJLL-HNNXBMFYSA-N 2 0 266.429 2.121 20 30 CEEDRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000332380644 377583835 /nfs/dbraw/zinc/58/38/35/377583835.db2.gz GMJNZDKWGRWGEG-RHSMWYFYSA-N 2 0 298.434 2.257 20 30 CEEDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000442793722 377995709 /nfs/dbraw/zinc/99/57/09/377995709.db2.gz OLKVOHUXCXERTF-QKPAOTATSA-N 2 0 279.428 2.158 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000266175962 190237574 /nfs/dbraw/zinc/23/75/74/190237574.db2.gz SWGORTCJVVEQMU-ZBFHGGJFSA-N 2 0 272.392 2.271 20 30 CEEDRP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000303263192 394479072 /nfs/dbraw/zinc/47/90/72/394479072.db2.gz QQVKGWMSHCXWEM-HNNXBMFYSA-N 2 0 280.460 2.153 20 30 CEEDRP CCNC(=[NH2+])NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000267407243 394677546 /nfs/dbraw/zinc/67/75/46/394677546.db2.gz HFHCVNIGPQJCFR-LBPRGKRZSA-N 2 0 262.401 2.040 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000103338097 394714656 /nfs/dbraw/zinc/71/46/56/394714656.db2.gz MWNDOUUAHSDEPL-AWEZNQCLSA-N 2 0 292.427 2.065 20 30 CEEDRP CC#CCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000360957281 394811247 /nfs/dbraw/zinc/81/12/47/394811247.db2.gz LDGFCYCJGIDJFJ-UHFFFAOYSA-N 2 0 254.337 2.079 20 30 CEEDRP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362031685 394842049 /nfs/dbraw/zinc/84/20/49/394842049.db2.gz DFEGNIGSOIHIAG-IXDOHACOSA-N 2 0 278.440 2.269 20 30 CEEDRP C[C@H](CCC#N)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000411219325 395322994 /nfs/dbraw/zinc/32/29/94/395322994.db2.gz JZXRTHNQCCQMFE-OAHLLOKOSA-N 2 0 279.428 2.113 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000651765487 401386923 /nfs/dbraw/zinc/38/69/23/401386923.db2.gz TUAVZIWSDZTMGC-ZACQAIPSSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657824649 415095367 /nfs/dbraw/zinc/09/53/67/415095367.db2.gz SDYJZJJTRJSEQM-DLBZAZTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657883491 415112326 /nfs/dbraw/zinc/11/23/26/415112326.db2.gz YHATWBFEMWKSAL-BRWVUGGUSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665238359 415642704 /nfs/dbraw/zinc/64/27/04/415642704.db2.gz WVZQHPODGPWIOS-GOEBONIOSA-N 2 0 258.365 2.408 20 30 CEEDRP C=C[C@H](CO)[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000662168359 415668249 /nfs/dbraw/zinc/66/82/49/415668249.db2.gz CNOBLQNFHWTAHD-QGZVFWFLSA-N 2 0 274.408 2.309 20 30 CEEDRP C=CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)COC ZINC000662299413 415763470 /nfs/dbraw/zinc/76/34/70/415763470.db2.gz PHJANLTZALTPPW-GDBMZVCRSA-N 2 0 292.423 2.260 20 30 CEEDRP C=CC[C@]1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000662672570 415926432 /nfs/dbraw/zinc/92/64/32/415926432.db2.gz BPMRELPAALWHRA-QGZVFWFLSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCNC(=[NH2+])NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187056122 262122447 /nfs/dbraw/zinc/12/24/47/262122447.db2.gz AXRNSJOKMRJOJZ-MRXNPFEDSA-N 2 0 288.439 2.211 20 30 CEEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000264086393 262867626 /nfs/dbraw/zinc/86/76/26/262867626.db2.gz JOTDUHKRLKPUNL-ZDUSSCGKSA-N 2 0 288.439 2.490 20 30 CEEDRP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000264126751 262877231 /nfs/dbraw/zinc/87/72/31/262877231.db2.gz SHWRPGCYYYUJBA-UHFFFAOYSA-N 2 0 274.412 2.095 20 30 CEEDRP C=CCc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc(OC)c1O ZINC000414826679 263055503 /nfs/dbraw/zinc/05/55/03/263055503.db2.gz GAENNUPBCPLDGW-ZDUSSCGKSA-N 2 0 290.407 2.219 20 30 CEEDRP C[NH+](C)CCCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288727273 263105783 /nfs/dbraw/zinc/10/57/83/263105783.db2.gz MXGXPGSSUHZRQZ-UHFFFAOYSA-N 2 0 270.327 2.033 20 30 CEEDRP C[NH+]1CCC(CC[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000135620399 280051329 /nfs/dbraw/zinc/05/13/29/280051329.db2.gz MMTCRMZYQXWUDY-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000578185255 314453699 /nfs/dbraw/zinc/45/36/99/314453699.db2.gz QSUCRZONDBZNEI-INIZCTEOSA-N 2 0 298.434 2.116 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000341265370 328405819 /nfs/dbraw/zinc/40/58/19/328405819.db2.gz AIBHSKPSHIWUCW-CABCVRRESA-N 2 0 268.445 2.412 20 30 CEEDRP C#C[C@@H](C)[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000377700293 329025533 /nfs/dbraw/zinc/02/55/33/329025533.db2.gz MOUPAKRQWVYPBW-CYBMUJFWSA-N 2 0 260.356 2.401 20 30 CEEDRP N#CCSCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173867565 329153128 /nfs/dbraw/zinc/15/31/28/329153128.db2.gz OUAQNQYQSPQOOZ-UHFFFAOYSA-N 2 0 281.469 2.441 20 30 CEEDRP CC(C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262503250 330018289 /nfs/dbraw/zinc/01/82/89/330018289.db2.gz ASHIPBODBBXJKW-UHFFFAOYSA-N 2 0 298.500 2.051 20 30 CEEDRP C[NH+]=C(NCC1CC1)NCC1([NH+](C)C)CCCCCC1 ZINC000262721056 330028404 /nfs/dbraw/zinc/02/84/04/330028404.db2.gz FSZKYLXSZRAAHO-UHFFFAOYSA-N 2 0 280.460 2.216 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834976 330156835 /nfs/dbraw/zinc/15/68/35/330156835.db2.gz ONLSNHHNKXBBJF-YESZJQIVSA-N 2 0 279.472 2.415 20 30 CEEDRP COC[C@H](CCC[NH3+])[NH2+][C@H](CCC#N)c1ccccc1 ZINC000422994129 330163185 /nfs/dbraw/zinc/16/31/85/330163185.db2.gz HARLSKQOFDBZHO-JKSUJKDBSA-N 2 0 275.396 2.375 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422972652 330164659 /nfs/dbraw/zinc/16/46/59/330164659.db2.gz ACOWISKDQGRJCP-ZBFHGGJFSA-N 2 0 265.445 2.134 20 30 CEEDRP C=CCCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000344773319 527198058 /nfs/dbraw/zinc/19/80/58/527198058.db2.gz ONYCLUCDWURLGG-IRXDYDNUSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468608 625568511 /nfs/dbraw/zinc/56/85/11/625568511.db2.gz LMNJCHSHHYUWND-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902387231 634630304 /nfs/dbraw/zinc/63/03/04/634630304.db2.gz ILDQSEGDEKCWEC-MJBXVCDLSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001026515929 628345535 /nfs/dbraw/zinc/34/55/35/628345535.db2.gz NOLRJMROCBTVSS-UYSNPLJNSA-N 2 0 293.455 2.064 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)cc1C ZINC000104175767 628686478 /nfs/dbraw/zinc/68/64/78/628686478.db2.gz IVFBXRKUAFVKEM-OAHLLOKOSA-N 2 0 274.412 2.370 20 30 CEEDRP C[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261992302 629414058 /nfs/dbraw/zinc/41/40/58/629414058.db2.gz RPCNEOVACZFOIH-DZGCQCFKSA-N 2 0 292.471 2.214 20 30 CEEDRP C[N@H+](CCNC(=[NH2+])N1CCCCCC1)C1CCCC1 ZINC000305082401 631107317 /nfs/dbraw/zinc/10/73/17/631107317.db2.gz SSIWAPZQTUVEOE-UHFFFAOYSA-N 2 0 266.433 2.052 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989121679 631729179 /nfs/dbraw/zinc/72/91/79/631729179.db2.gz UGKOIDLSXOFFCG-UKRRQHHQSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000900321249 633672218 /nfs/dbraw/zinc/67/22/18/633672218.db2.gz QKLHAYDKWPGBGQ-RHSMWYFYSA-N 2 0 295.471 2.121 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817916965 633775740 /nfs/dbraw/zinc/77/57/40/633775740.db2.gz BVDAAGOXWMZPPD-GDBMZVCRSA-N 2 0 273.380 2.196 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903187418 635012931 /nfs/dbraw/zinc/01/29/31/635012931.db2.gz SXCKKFATWCTEAP-DAQHESOFSA-N 2 0 276.424 2.467 20 30 CEEDRP Cc1cc(C#N)cc(C)c1CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903559970 635163485 /nfs/dbraw/zinc/16/34/85/635163485.db2.gz PKMJTHHXZJBCRC-OAHLLOKOSA-N 2 0 257.381 2.344 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810496 635285147 /nfs/dbraw/zinc/28/51/47/635285147.db2.gz CGJLWYICHZRHDD-HUUCEWRRSA-N 2 0 266.429 2.297 20 30 CEEDRP N#CC1CCC(C[N@@H+]2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903819142 635287529 /nfs/dbraw/zinc/28/75/29/635287529.db2.gz CUFGZCBVAPGNAY-UHFFFAOYSA-N 2 0 291.439 2.161 20 30 CEEDRP N#Cc1ccc(C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000903825284 635292218 /nfs/dbraw/zinc/29/22/18/635292218.db2.gz YLQGDGXZPRWUAM-HNNXBMFYSA-N 2 0 269.392 2.347 20 30 CEEDRP C=CCCC[N@@H+](CC)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903850339 635304056 /nfs/dbraw/zinc/30/40/56/635304056.db2.gz ORIVEUXHJRSZKK-GJZGRUSLSA-N 2 0 252.402 2.043 20 30 CEEDRP C#CC1CC[NH+](C/C=C\C[NH+]2CCC(C#C)CC2)CC1 ZINC000830345781 637042948 /nfs/dbraw/zinc/04/29/48/637042948.db2.gz SOGJYPXDJPFWNV-WAYWQWQTSA-N 2 0 270.420 2.233 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911708864 638385357 /nfs/dbraw/zinc/38/53/57/638385357.db2.gz YSZQQTIJCNECGB-CABCVRRESA-N 2 0 283.460 2.180 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000876766376 650425392 /nfs/dbraw/zinc/42/53/92/650425392.db2.gz IVHLMTYJYOYGDT-CYBMUJFWSA-N 2 0 295.814 2.465 20 30 CEEDRP CCCC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912496711 638702669 /nfs/dbraw/zinc/70/26/69/638702669.db2.gz DBHHVGCOZDDKET-ZDUSSCGKSA-N 2 0 268.449 2.214 20 30 CEEDRP CC(C)[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912506395 638713317 /nfs/dbraw/zinc/71/33/17/638713317.db2.gz NODCEJSWCYJVJU-ZDUSSCGKSA-N 2 0 280.460 2.213 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000876931331 650490394 /nfs/dbraw/zinc/49/03/94/650490394.db2.gz LTASWFKMNZGOCV-KRWDZBQOSA-N 2 0 279.472 2.186 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000843339807 640394365 /nfs/dbraw/zinc/39/43/65/640394365.db2.gz DKRXWTTXUJEXEH-NUEKZKHPSA-N 2 0 285.391 2.045 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867964 642145813 /nfs/dbraw/zinc/14/58/13/642145813.db2.gz LWZJBWMZSAITAY-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361148 642243146 /nfs/dbraw/zinc/24/31/46/642243146.db2.gz TUUREJAOOGRRFW-GASCZTMLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999876517 642518172 /nfs/dbraw/zinc/51/81/72/642518172.db2.gz OECFFVHBKDHLEJ-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001010829 642675924 /nfs/dbraw/zinc/67/59/24/642675924.db2.gz XJHVMKJMXHQAMT-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003627843 642962237 /nfs/dbraw/zinc/96/22/37/642962237.db2.gz IXOAHCMFHGSSPE-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCN1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000838282651 643895942 /nfs/dbraw/zinc/89/59/42/643895942.db2.gz SFVUYTQWNTYSPX-KRWDZBQOSA-N 2 0 299.418 2.093 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000113340153 644356675 /nfs/dbraw/zinc/35/66/75/644356675.db2.gz MXKDBQZOHKYORS-INIZCTEOSA-N 2 0 272.392 2.130 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000866618109 647844257 /nfs/dbraw/zinc/84/42/57/647844257.db2.gz VRFDPOCPDMBKKD-IBGZPJMESA-N 2 0 295.430 2.489 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247757 649607816 /nfs/dbraw/zinc/60/78/16/649607816.db2.gz TZUBOFQJFDSNHB-KGLIPLIRSA-N 2 0 299.422 2.416 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290592 649628840 /nfs/dbraw/zinc/62/88/40/649628840.db2.gz ALXYBIMYWCCYJU-ZIAGYGMSSA-N 2 0 252.402 2.089 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000873290490 649628970 /nfs/dbraw/zinc/62/89/70/649628970.db2.gz FFDNMVBHFGMIHI-PBHICJAKSA-N 2 0 299.418 2.368 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292534 649630290 /nfs/dbraw/zinc/63/02/90/649630290.db2.gz SXJOMXXPCMJXLL-RRFJBIMHSA-N 2 0 266.429 2.335 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000878722051 651173848 /nfs/dbraw/zinc/17/38/48/651173848.db2.gz OSNDIXFNJLPEGT-INIZCTEOSA-N 2 0 279.472 2.443 20 30 CEEDRP C[N@H+](CCCC[NH+]1CCCCC1)CCOCCC#N ZINC000880517763 651453126 /nfs/dbraw/zinc/45/31/26/651453126.db2.gz WKTKCOBXUIGUGV-UHFFFAOYSA-N 2 0 267.417 2.115 20 30 CEEDRP C=CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCO1 ZINC000883209382 652401372 /nfs/dbraw/zinc/40/13/72/652401372.db2.gz BBUUXWHJVKIQPR-HOTGVXAUSA-N 2 0 264.413 2.352 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000883224564 652405816 /nfs/dbraw/zinc/40/58/16/652405816.db2.gz OLAVOBIEPPHYPL-KKUMJFAQSA-N 2 0 254.418 2.288 20 30 CEEDRP C=C(C)C[C@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000883390166 652452549 /nfs/dbraw/zinc/45/25/49/652452549.db2.gz HALRSJFVLVKKLU-CQSZACIVSA-N 2 0 254.418 2.166 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330893 806123837 /nfs/dbraw/zinc/12/38/37/806123837.db2.gz KTDNSOHFUMUIST-CVEARBPZSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCCCC1 ZINC001115574762 814724334 /nfs/dbraw/zinc/72/43/34/814724334.db2.gz OWFFIZVRCJGLON-UHFFFAOYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267435829 803466337 /nfs/dbraw/zinc/46/63/37/803466337.db2.gz BYTYGRLXIYCDHB-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001027463117 804080746 /nfs/dbraw/zinc/08/07/46/804080746.db2.gz RWUFSLSZOZVKBK-AWEZNQCLSA-N 2 0 298.390 2.285 20 30 CEEDRP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001269990777 805304316 /nfs/dbraw/zinc/30/43/16/805304316.db2.gz BTYKKVLGKPBXGB-SHTZXODSSA-N 2 0 293.455 2.064 20 30 CEEDRP COCCCN1CCC([N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001172255926 815359673 /nfs/dbraw/zinc/35/96/73/815359673.db2.gz OPVQBSSKZNSNQG-HNNXBMFYSA-N 2 0 279.428 2.113 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001085432722 810748156 /nfs/dbraw/zinc/74/81/56/810748156.db2.gz MWYDURWSCCHRET-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122384719 815407774 /nfs/dbraw/zinc/40/77/74/815407774.db2.gz QEOJBGPNDVNUEQ-GBJTYRQASA-N 2 0 281.444 2.073 20 30 CEEDRP C=C(C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045523862 811620581 /nfs/dbraw/zinc/62/05/81/811620581.db2.gz YQUGJCCDAKHJEC-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)c1cccc(-n2ccnc2)c1 ZINC001170023507 811952360 /nfs/dbraw/zinc/95/23/60/811952360.db2.gz ZJRSUPAGVCOFBL-UHFFFAOYSA-N 2 0 298.390 2.158 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584531 813293263 /nfs/dbraw/zinc/29/32/63/813293263.db2.gz UYCLXBPLPDGMJA-GJZGRUSLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135376111 813418266 /nfs/dbraw/zinc/41/82/66/813418266.db2.gz QZBPOTIYFRKIIC-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614289 813482443 /nfs/dbraw/zinc/48/24/43/813482443.db2.gz QAACQZQKWCMKNE-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860321 813549063 /nfs/dbraw/zinc/54/90/63/813549063.db2.gz ADGOAHZFHGELAM-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861233 813550118 /nfs/dbraw/zinc/55/01/18/813550118.db2.gz OHJZSWANLAHGOW-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966447 813574606 /nfs/dbraw/zinc/57/46/06/813574606.db2.gz OPLNNDVHPHHQMD-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111464249 813974903 /nfs/dbraw/zinc/97/49/03/813974903.db2.gz OBSGFNKTLSZGDY-OAGGEKHMSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100426612 814118940 /nfs/dbraw/zinc/11/89/40/814118940.db2.gz QXAVOWGRWHBMQB-GPANFISMSA-N 2 0 295.471 2.023 20 30 CEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766149 814183337 /nfs/dbraw/zinc/18/33/37/814183337.db2.gz SHIDDWRLKDZVAJ-UYSNPLJNSA-N 2 0 295.471 2.023 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147359794 814428407 /nfs/dbraw/zinc/42/84/07/814428407.db2.gz VRBWPPYSNKVNCT-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001171316825 814506230 /nfs/dbraw/zinc/50/62/30/814506230.db2.gz BFECVWUDKXOTPM-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)ccc1C#N ZINC000234917096 814513310 /nfs/dbraw/zinc/51/33/10/814513310.db2.gz FFCAPYXRYAUOMX-UHFFFAOYSA-N 2 0 273.380 2.269 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171358405 814659105 /nfs/dbraw/zinc/65/91/05/814659105.db2.gz GCPRMRCNHYGPHS-CVEARBPZSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCOC1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001173316329 815690380 /nfs/dbraw/zinc/69/03/80/815690380.db2.gz GPKBPKZGPPBJBC-LQULJDIASA-N 2 0 252.402 2.360 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176996790 816506021 /nfs/dbraw/zinc/50/60/21/816506021.db2.gz DHKZKFMOTAAAOY-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001178925792 816810065 /nfs/dbraw/zinc/81/00/65/816810065.db2.gz KBALDLCDTXXSDH-JYJNAYRXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)Cn1cncc1C ZINC001179025930 816824861 /nfs/dbraw/zinc/82/48/61/816824861.db2.gz CASLTOGEYUIIHZ-UHFFFAOYSA-N 2 0 292.427 2.034 20 30 CEEDRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000083052960 178336340 /nfs/dbraw/zinc/33/63/40/178336340.db2.gz CNFMWLULIRUKPV-UHFFFAOYSA-N 2 0 278.400 2.154 20 30 CEEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602028547 346964195 /nfs/dbraw/zinc/96/41/95/346964195.db2.gz PIBOQWLFOFKNDD-BJHJDKERSA-N 2 0 261.344 2.127 20 30 CEEDRP C[C@@H](C#N)C[NH+](C)CCCCC[N@@H+](C)C[C@H](C)C#N ZINC000077270088 343914466 /nfs/dbraw/zinc/91/44/66/343914466.db2.gz YHNJCMORBFIHRN-GASCZTMLSA-N 2 0 264.417 2.340 20 30 CEEDRP C[C@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170903800 344492284 /nfs/dbraw/zinc/49/22/84/344492284.db2.gz VBGKFNIQOYLZQL-AWEZNQCLSA-N 2 0 289.427 2.320 20 30 CEEDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525056 347066173 /nfs/dbraw/zinc/06/61/73/347066173.db2.gz QCEPFMNLCPQKJN-JKSUJKDBSA-N 2 0 293.455 2.407 20 30 CEEDRP C=CCCOCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423013267 344896443 /nfs/dbraw/zinc/89/64/43/344896443.db2.gz MLPBUIURTOUMSX-GFCCVEGCSA-N 2 0 263.385 2.092 20 30 CEEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592471038 345358423 /nfs/dbraw/zinc/35/84/23/345358423.db2.gz UIMIXFOVAGQACY-UIEKQHFFSA-N 2 0 261.413 2.294 20 30 CEEDRP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1C#N ZINC000594515684 345642228 /nfs/dbraw/zinc/64/22/28/345642228.db2.gz UXCZZWRIOKTCCQ-FZNQNYSPSA-N 2 0 257.381 2.297 20 30 CEEDRP N#Cc1csc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000595000650 345724127 /nfs/dbraw/zinc/72/41/27/345724127.db2.gz JVTMDUHCQGYAET-UHFFFAOYSA-N 2 0 290.436 2.226 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595058176 345736897 /nfs/dbraw/zinc/73/68/97/345736897.db2.gz YWNIXURSPUQTLS-PBHICJAKSA-N 2 0 271.408 2.421 20 30 CEEDRP C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595893515 345908678 /nfs/dbraw/zinc/90/86/78/345908678.db2.gz RXLJFEJPDNJOPO-CJNGLKHVSA-N 2 0 257.381 2.017 20 30 CEEDRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595512 346380069 /nfs/dbraw/zinc/38/00/69/346380069.db2.gz OUYUAISOMOBMRC-GJZGRUSLSA-N 2 0 281.444 2.093 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@@H+](C[C@@H](C)C#N)C2CC2)CC1 ZINC000337321323 366142004 /nfs/dbraw/zinc/14/20/04/366142004.db2.gz PXJGOAPOZBQUIO-INIZCTEOSA-N 2 0 292.471 2.027 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181488382 189297893 /nfs/dbraw/zinc/29/78/93/189297893.db2.gz JILASPBPYUNYGF-CQSZACIVSA-N 2 0 275.396 2.177 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000153025377 366725334 /nfs/dbraw/zinc/72/53/34/366725334.db2.gz IUYGVIDGCAQQCO-ZBFHGGJFSA-N 2 0 277.456 2.242 20 30 CEEDRP C#CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000184755257 189394694 /nfs/dbraw/zinc/39/46/94/189394694.db2.gz BSLLDFFILZPGRY-HUUCEWRRSA-N 2 0 256.393 2.366 20 30 CEEDRP C#CCOc1ccccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000093089107 364139937 /nfs/dbraw/zinc/13/99/37/364139937.db2.gz XXPWLCNPFGJYRI-UHFFFAOYSA-N 2 0 286.419 2.472 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000093492617 364192032 /nfs/dbraw/zinc/19/20/32/364192032.db2.gz VAHBWIWTXYILGL-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP CC(C)CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908900 367445216 /nfs/dbraw/zinc/44/52/16/367445216.db2.gz WRZMZJRDQWFNCY-UHFFFAOYSA-N 2 0 288.439 2.343 20 30 CEEDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000173883697 367954295 /nfs/dbraw/zinc/95/42/95/367954295.db2.gz XONVCARZUOXSAX-AWEZNQCLSA-N 2 0 275.371 2.471 20 30 CEEDRP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181675042 368481857 /nfs/dbraw/zinc/48/18/57/368481857.db2.gz GZYBBELSWOIRAX-YOEHRIQHSA-N 2 0 287.407 2.320 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@H](C)C1 ZINC000184088168 368669978 /nfs/dbraw/zinc/66/99/78/368669978.db2.gz BRWHBDZXVGPELV-CABCVRRESA-N 2 0 267.417 2.017 20 30 CEEDRP C=CCCCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639056059 370932063 /nfs/dbraw/zinc/93/20/63/370932063.db2.gz IDWDCWZUNNVJMQ-UHFFFAOYSA-N 2 0 254.418 2.168 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000346694233 368778148 /nfs/dbraw/zinc/77/81/48/368778148.db2.gz SUHIXZLLOSSJHB-HIFRSBDPSA-N 2 0 260.381 2.421 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000572951393 299414850 /nfs/dbraw/zinc/41/48/50/299414850.db2.gz MIIAQSAHUJOOCG-KSZLIROESA-N 2 0 299.418 2.447 20 30 CEEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252858252 371483703 /nfs/dbraw/zinc/48/37/03/371483703.db2.gz LUWODUSFCORUMP-JYJNAYRXSA-N 2 0 255.365 2.117 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261603820 371672305 /nfs/dbraw/zinc/67/23/05/371672305.db2.gz AHQVIGIJKXWXMM-MRXNPFEDSA-N 2 0 260.381 2.422 20 30 CEEDRP CC[NH+](CC)Cc1ccccc1CNC(NC1CC1)=[NH+]C ZINC000264042085 371957226 /nfs/dbraw/zinc/95/72/26/371957226.db2.gz JAORIXMPGLQCRW-UHFFFAOYSA-N 2 0 288.439 2.356 20 30 CEEDRP CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000264056790 371959639 /nfs/dbraw/zinc/95/96/39/371959639.db2.gz BHEBQIQZDONFHE-CQSZACIVSA-N 2 0 288.439 2.343 20 30 CEEDRP C[C@@H](CCCC[NH3+])[NH2+]CCOc1ccc(C#N)cc1 ZINC000422985926 376905516 /nfs/dbraw/zinc/90/55/16/376905516.db2.gz BCKZMNCOCBZMJQ-ZDUSSCGKSA-N 2 0 261.369 2.044 20 30 CEEDRP COCC1(C[NH2+][C@@H](C)c2cccc(C#N)c2)CC[NH2+]CC1 ZINC000423400550 377270150 /nfs/dbraw/zinc/27/01/50/377270150.db2.gz FRHYAUWABOJDOD-AWEZNQCLSA-N 2 0 287.407 2.225 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@H]([NH+]3CCCC3)CC2)nc1 ZINC000565156291 377575482 /nfs/dbraw/zinc/57/54/82/377575482.db2.gz HTYLCWOVUJNXLQ-KRWDZBQOSA-N 2 0 284.407 2.404 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000294923024 378030021 /nfs/dbraw/zinc/03/00/21/378030021.db2.gz GYWMVZIURGUXFR-CQSZACIVSA-N 2 0 290.407 2.310 20 30 CEEDRP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000044684198 394508201 /nfs/dbraw/zinc/50/82/01/394508201.db2.gz RZXBOYJGOLJLCW-WFASDCNBSA-N 2 0 255.365 2.446 20 30 CEEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000268070938 394688890 /nfs/dbraw/zinc/68/88/90/394688890.db2.gz JXWXTHDDAWAKHV-AWEZNQCLSA-N 2 0 274.412 2.391 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000103338388 394714357 /nfs/dbraw/zinc/71/43/57/394714357.db2.gz XZCRLNZHXNQMRE-HNNXBMFYSA-N 2 0 292.427 2.065 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C1 ZINC000339097237 394942770 /nfs/dbraw/zinc/94/27/70/394942770.db2.gz XDSKYPYBZBHPGY-HZMVEIRTSA-N 2 0 293.455 2.405 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987590 394999942 /nfs/dbraw/zinc/99/99/42/394999942.db2.gz UJXJPQWECWHXIS-INMHGKMJSA-N 2 0 279.472 2.345 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(C)(C)CCC#N ZINC000374253226 395077735 /nfs/dbraw/zinc/07/77/35/395077735.db2.gz GIVBZVFQMXNPSI-OAGGEKHMSA-N 2 0 293.455 2.500 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCC(C)(C)C#N ZINC000374421775 395081305 /nfs/dbraw/zinc/08/13/05/395081305.db2.gz PLGOLLANCHKGLF-PMPSAXMXSA-N 2 0 293.455 2.500 20 30 CEEDRP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000348061177 395134612 /nfs/dbraw/zinc/13/46/12/395134612.db2.gz YCHHPDOQYPJZKO-CABCVRRESA-N 2 0 254.418 2.241 20 30 CEEDRP CN(CC[N@H+](C)CC(C)(C)CCC#N)C1CC[NH+](C)CC1 ZINC000349027710 395156371 /nfs/dbraw/zinc/15/63/71/395156371.db2.gz HTIXQCBWNOQYRK-UHFFFAOYSA-N 2 0 294.487 2.274 20 30 CEEDRP C=CCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000352258381 395249294 /nfs/dbraw/zinc/24/92/94/395249294.db2.gz WGWZSENIPYAJSK-HUUCEWRRSA-N 2 0 266.429 2.384 20 30 CEEDRP C=CCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000569899640 395580947 /nfs/dbraw/zinc/58/09/47/395580947.db2.gz GMLNRHMDSLDYQA-SJORKVTESA-N 2 0 279.472 2.301 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)C1 ZINC000651677039 401370096 /nfs/dbraw/zinc/37/00/96/401370096.db2.gz VSMZOOJMPZCNHD-CABCVRRESA-N 2 0 254.418 2.289 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000651679400 401370988 /nfs/dbraw/zinc/37/09/88/401370988.db2.gz ZNNASVLVQDYZLW-HZPDHXFCSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651705146 401375370 /nfs/dbraw/zinc/37/53/70/401375370.db2.gz IYPFBVKUSJILEL-BBWFWOEESA-N 2 0 279.472 2.204 20 30 CEEDRP C[N@H+](CCOc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285665328 196359645 /nfs/dbraw/zinc/35/96/45/196359645.db2.gz ZJEPJVRDWUMRSJ-SJPCQFCGSA-N 2 0 299.418 2.494 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252322 415714068 /nfs/dbraw/zinc/71/40/68/415714068.db2.gz PGQXWRLPNHDVNJ-MRXNPFEDSA-N 2 0 272.392 2.196 20 30 CEEDRP C=CC[C@]1(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662430918 415840710 /nfs/dbraw/zinc/84/07/10/415840710.db2.gz WQEXCMOXWFRLJO-CXAGYDPISA-N 2 0 287.407 2.021 20 30 CEEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000298085824 260143362 /nfs/dbraw/zinc/14/33/62/260143362.db2.gz MFPANLOFIVAAJB-INIZCTEOSA-N 2 0 257.381 2.298 20 30 CEEDRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000397318344 267087871 /nfs/dbraw/zinc/08/78/71/267087871.db2.gz ABVKUHCENOZCDV-DVOMOZLQSA-N 2 0 257.381 2.363 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367601599 267102606 /nfs/dbraw/zinc/10/26/06/267102606.db2.gz OPXITYIETQCMKH-MCIONIFRSA-N 2 0 254.443 2.368 20 30 CEEDRP C=CCCC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420377466 329763363 /nfs/dbraw/zinc/76/33/63/329763363.db2.gz LBVBKIKCQFUGHV-HUUCEWRRSA-N 2 0 252.402 2.171 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C)C1 ZINC000262579398 330021937 /nfs/dbraw/zinc/02/19/37/330021937.db2.gz PUADIMVLKNUFHG-CABCVRRESA-N 2 0 292.471 2.168 20 30 CEEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422827659 330156528 /nfs/dbraw/zinc/15/65/28/330156528.db2.gz DYZZHTJQAUFMGW-BRWVUGGUSA-N 2 0 279.472 2.402 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423094925 330169554 /nfs/dbraw/zinc/16/95/54/330169554.db2.gz KZZQYDWFEMGSOO-HHARLNAUSA-N 2 0 278.440 2.478 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423095887 330169841 /nfs/dbraw/zinc/16/98/41/330169841.db2.gz NJOQFXPOYIWXSI-XGUBFFRZSA-N 2 0 252.402 2.075 20 30 CEEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])CCCC1 ZINC000423152695 330173148 /nfs/dbraw/zinc/17/31/48/330173148.db2.gz GIHMEJLXYZKZND-QLFBSQMISA-N 2 0 266.429 2.465 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000449549121 330935855 /nfs/dbraw/zinc/93/58/55/330935855.db2.gz VAMIXZIIBYPVJX-CABCVRRESA-N 2 0 252.402 2.182 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000188803148 333174026 /nfs/dbraw/zinc/17/40/26/333174026.db2.gz BRJXEOMTRCWHOL-CABCVRRESA-N 2 0 254.418 2.289 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000174374969 335153545 /nfs/dbraw/zinc/15/35/45/335153545.db2.gz BUIQPLMSXVLTKQ-HNNXBMFYSA-N 2 0 281.444 2.143 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000352013549 526447736 /nfs/dbraw/zinc/44/77/36/526447736.db2.gz JMSSRMMLNZBSPW-OAHLLOKOSA-N 2 0 254.418 2.385 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000113320904 527105663 /nfs/dbraw/zinc/10/56/63/527105663.db2.gz NGZLBJVKLIBSQO-MRXNPFEDSA-N 2 0 284.403 2.273 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000728712175 574468774 /nfs/dbraw/zinc/46/87/74/574468774.db2.gz XMCQZTCMHXWBCP-CQSZACIVSA-N 2 0 275.396 2.409 20 30 CEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981228911 613860947 /nfs/dbraw/zinc/86/09/47/613860947.db2.gz PRJLZRPYJRVEST-HUUCEWRRSA-N 2 0 298.390 2.151 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC000969152493 613862929 /nfs/dbraw/zinc/86/29/29/613862929.db2.gz WCEILAIOIHWWSZ-CQSZACIVSA-N 2 0 293.455 2.016 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157363802 624974042 /nfs/dbraw/zinc/97/40/42/624974042.db2.gz UYRLPKHGPYZABB-UONOGXRCSA-N 2 0 268.449 2.057 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000820846100 634548950 /nfs/dbraw/zinc/54/89/50/634548950.db2.gz CKHMQYLUSMMXDX-UHFFFAOYSA-N 2 0 296.361 2.375 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000328321158 627876982 /nfs/dbraw/zinc/87/69/82/627876982.db2.gz ZCDNYLSWPGUNAZ-INIZCTEOSA-N 2 0 296.418 2.478 20 30 CEEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000902362061 634618596 /nfs/dbraw/zinc/61/85/96/634618596.db2.gz UXCHSUAVZDRGAA-OAHLLOKOSA-N 2 0 287.407 2.457 20 30 CEEDRP CCC[N@H+](CC)CCNC(=[NH2+])Nc1cccc(C)c1 ZINC000304471431 631103228 /nfs/dbraw/zinc/10/32/28/631103228.db2.gz DQCRZMCVTWMQKT-UHFFFAOYSA-N 2 0 262.401 2.454 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987572533 631427689 /nfs/dbraw/zinc/42/76/89/631427689.db2.gz UNUDARIQCQPIEM-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@H](C)C1 ZINC000086821767 632263763 /nfs/dbraw/zinc/26/37/63/632263763.db2.gz GMZSDGKYMNYIRU-ZDUSSCGKSA-N 2 0 268.449 2.072 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000900197313 633582305 /nfs/dbraw/zinc/58/23/05/633582305.db2.gz FXIQHDDGHORAGB-MRXNPFEDSA-N 2 0 295.471 2.121 20 30 CEEDRP COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000817916069 633774434 /nfs/dbraw/zinc/77/44/34/633774434.db2.gz ULOJAFHOYARJBZ-HIFRSBDPSA-N 2 0 273.380 2.174 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817920048 633777894 /nfs/dbraw/zinc/77/78/94/633777894.db2.gz ZNMGPIBJPDEDHQ-UKRRQHHQSA-N 2 0 273.380 2.382 20 30 CEEDRP C=CCCCCC[C@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000817945314 633792739 /nfs/dbraw/zinc/79/27/39/633792739.db2.gz ZIJIVLVRSFJFJL-HNNXBMFYSA-N 2 0 253.434 2.006 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000817969065 633811935 /nfs/dbraw/zinc/81/19/35/633811935.db2.gz QPTMBQCAVYKUBH-GDBMZVCRSA-N 2 0 272.392 2.491 20 30 CEEDRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902945186 634897259 /nfs/dbraw/zinc/89/72/59/634897259.db2.gz RIFSYCXYYRGSJF-CYBMUJFWSA-N 2 0 272.396 2.336 20 30 CEEDRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(C#N)ccn1 ZINC000902975824 634916026 /nfs/dbraw/zinc/91/60/26/634916026.db2.gz JOZXKINLCGGWQW-CYBMUJFWSA-N 2 0 284.407 2.478 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000903421566 635123359 /nfs/dbraw/zinc/12/33/59/635123359.db2.gz OROSGZIRZWOOCR-UHFFFAOYSA-N 2 0 257.381 2.359 20 30 CEEDRP C=CCCC(C)(C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903932772 635358143 /nfs/dbraw/zinc/35/81/43/635358143.db2.gz GRAVCHGYPODUBD-ZDUSSCGKSA-N 2 0 277.416 2.037 20 30 CEEDRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000844922203 640867451 /nfs/dbraw/zinc/86/74/51/640867451.db2.gz MBFWXAVSXMIMMN-CYBMUJFWSA-N 2 0 273.380 2.369 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000997061083 642177469 /nfs/dbraw/zinc/17/74/69/642177469.db2.gz ADROBPVVADYOST-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP CNC(NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000848989566 642211299 /nfs/dbraw/zinc/21/12/99/642211299.db2.gz XTEAISOFHVMQPJ-GDBMZVCRSA-N 2 0 288.439 2.082 20 30 CEEDRP CCCCCCCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000109192490 642631448 /nfs/dbraw/zinc/63/14/48/642631448.db2.gz OMKZAXDLSZGEQJ-HNNXBMFYSA-N 2 0 283.460 2.134 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002793179 642836085 /nfs/dbraw/zinc/83/60/85/642836085.db2.gz WSAZZIOZWACLCS-INIZCTEOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004207111 643117192 /nfs/dbraw/zinc/11/71/92/643117192.db2.gz OMGHWXLEUYBCOJ-GASCZTMLSA-N 2 0 293.455 2.016 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC000877683908 650849123 /nfs/dbraw/zinc/84/91/23/650849123.db2.gz ASJHQQUBORAECT-UHFFFAOYSA-N 2 0 284.407 2.261 20 30 CEEDRP C=CCC[C@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923413397 643702323 /nfs/dbraw/zinc/70/23/23/643702323.db2.gz FOHRZOCNYPOSNP-ZFWWWQNUSA-N 2 0 254.418 2.010 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)C#N)cc2)CC1 ZINC000757905006 644855076 /nfs/dbraw/zinc/85/50/76/644855076.db2.gz DMJFEOKLWFDURR-UHFFFAOYSA-N 2 0 286.423 2.078 20 30 CEEDRP C#CC[C@@H](COC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000858335532 645122938 /nfs/dbraw/zinc/12/29/38/645122938.db2.gz WVWLWARHRIYVIB-INIZCTEOSA-N 2 0 278.440 2.411 20 30 CEEDRP C=CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779188187 647295814 /nfs/dbraw/zinc/29/58/14/647295814.db2.gz HWGRYQFLPVAPNW-UHFFFAOYSA-N 2 0 259.397 2.056 20 30 CEEDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000872227171 649322606 /nfs/dbraw/zinc/32/26/06/649322606.db2.gz AZKMCAIVPWCONZ-BBBYJDLNSA-N 2 0 281.444 2.140 20 30 CEEDRP COc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)ccc1C#N ZINC000873220646 649595359 /nfs/dbraw/zinc/59/53/59/649595359.db2.gz QERSLJJYNAXJGB-LBPRGKRZSA-N 2 0 273.380 2.045 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256712 649612306 /nfs/dbraw/zinc/61/23/06/649612306.db2.gz PEYADDRQZYJOBX-YDHLFZDLSA-N 2 0 258.365 2.087 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000873275663 649621567 /nfs/dbraw/zinc/62/15/67/649621567.db2.gz MXMYRZMZINSDFV-BZZMCLGOSA-N 2 0 281.403 2.003 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCn1ccnc1C)[C@H]1CCCO1 ZINC000883182753 652392112 /nfs/dbraw/zinc/39/21/12/652392112.db2.gz JRJPMJNMSOKBFD-HUUCEWRRSA-N 2 0 263.385 2.295 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000883431977 652467709 /nfs/dbraw/zinc/46/77/09/652467709.db2.gz HWSQGPSMXNREQE-QEJZJMRPSA-N 2 0 252.402 2.169 20 30 CEEDRP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001271020829 805718123 /nfs/dbraw/zinc/71/81/23/805718123.db2.gz DRQRTWDKNVXGJZ-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000715051411 814926176 /nfs/dbraw/zinc/92/61/76/814926176.db2.gz CDHCQGUXOMFSHU-DCAQKATOSA-N 2 0 250.308 2.410 20 30 CEEDRP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001267331754 803376283 /nfs/dbraw/zinc/37/62/83/803376283.db2.gz QHDJXNKEWCUYCT-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267632071 803632514 /nfs/dbraw/zinc/63/25/14/803632514.db2.gz PBIGKIJSGMTJKO-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879039 804313097 /nfs/dbraw/zinc/31/30/97/804313097.db2.gz LYHPPOVXBKFGMW-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCOCc1cccc(NC(=[NH2+])SCC[NH3+])c1 ZINC001167915436 804712425 /nfs/dbraw/zinc/71/24/25/804712425.db2.gz HGVAADUBRMPENB-UHFFFAOYSA-N 2 0 265.382 2.428 20 30 CEEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC001119516254 815123861 /nfs/dbraw/zinc/12/38/61/815123861.db2.gz SLFKGSFRPVNCBR-DJIMGWMZSA-N 2 0 278.440 2.003 20 30 CEEDRP CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205117569 807706097 /nfs/dbraw/zinc/70/60/97/807706097.db2.gz RJLCXLOUTKJLAT-MRXNPFEDSA-N 2 0 286.423 2.350 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999354509 808793754 /nfs/dbraw/zinc/79/37/54/808793754.db2.gz QHQKRQWOBXXLHX-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034241295 809562234 /nfs/dbraw/zinc/56/22/34/809562234.db2.gz XKGVWXAONMIXSB-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001085196802 809759222 /nfs/dbraw/zinc/75/92/22/809759222.db2.gz ONMHHUQVBQGUAT-BZUAXINKSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001121909583 815366535 /nfs/dbraw/zinc/36/65/35/815366535.db2.gz VUMGCJCLGWYGLQ-HZPDHXFCSA-N 2 0 295.471 2.441 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044656100 811520003 /nfs/dbraw/zinc/52/00/03/811520003.db2.gz ASLPTCQPKDNYNV-HIFRSBDPSA-N 2 0 298.390 2.103 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206037033 812160343 /nfs/dbraw/zinc/16/03/43/812160343.db2.gz SLJULSDRKKIRHK-DZGCQCFKSA-N 2 0 287.407 2.374 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620896 813012435 /nfs/dbraw/zinc/01/24/35/813012435.db2.gz VAZVHDQBLQXBGZ-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135333927 813411345 /nfs/dbraw/zinc/41/13/45/813411345.db2.gz HOWTWZHPRWBQGL-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP N#Cc1cc(Nc2ccccc2C[NH3+])cc(C2C[NH2+]C2)c1 ZINC001159735916 813649665 /nfs/dbraw/zinc/64/96/65/813649665.db2.gz WQGHGWOYJRFEAB-UHFFFAOYSA-N 2 0 278.359 2.447 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171174740 814053371 /nfs/dbraw/zinc/05/33/71/814053371.db2.gz OYCPFDQARXNUFZ-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001171179851 814060011 /nfs/dbraw/zinc/06/00/11/814060011.db2.gz XRHFXRXCZIKSBK-CZUORRHYSA-N 2 0 257.381 2.031 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001171181088 814068369 /nfs/dbraw/zinc/06/83/69/814068369.db2.gz HBDKNSPARFPHGY-RHSMWYFYSA-N 2 0 271.408 2.421 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115777406 814755034 /nfs/dbraw/zinc/75/50/34/814755034.db2.gz YHEPBBYUNZDRRO-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCOC1CCC([NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC001173322287 815674191 /nfs/dbraw/zinc/67/41/91/815674191.db2.gz BJTMAPNPXYIKGV-XNIRIUNOSA-N 2 0 278.440 2.384 20 30 CEEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173601411 815758024 /nfs/dbraw/zinc/75/80/24/815758024.db2.gz SNJMHAQOEJXZDP-PRLABOORSA-N 2 0 261.413 2.342 20 30 CEEDRP Cc1cc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)cc[nH+]1 ZINC001174651763 816065779 /nfs/dbraw/zinc/06/57/79/816065779.db2.gz MXXHIGYHHOTDCE-UHFFFAOYSA-N 2 0 284.388 2.477 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563624 816441280 /nfs/dbraw/zinc/44/12/80/816441280.db2.gz GGMXYBGQFOGPGA-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986047 816503350 /nfs/dbraw/zinc/50/33/50/816503350.db2.gz CMQXEAGBGGBMKH-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534437 816869750 /nfs/dbraw/zinc/86/97/50/816869750.db2.gz LYYXEGABLXYHCI-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000060344337 343657050 /nfs/dbraw/zinc/65/70/50/343657050.db2.gz IGODKJSOTIVEQY-CQSZACIVSA-N 2 0 276.428 2.211 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000066244108 343710027 /nfs/dbraw/zinc/71/00/27/343710027.db2.gz FSENLNBAQOWOHX-MRXNPFEDSA-N 2 0 286.423 2.222 20 30 CEEDRP CCCNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052620 344074701 /nfs/dbraw/zinc/07/47/01/344074701.db2.gz IMUZHLHNCYOTTC-AWEZNQCLSA-N 2 0 276.428 2.211 20 30 CEEDRP C=CCCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000091510881 344166720 /nfs/dbraw/zinc/16/67/20/344166720.db2.gz LJUZFYBAWOTLLO-MRXNPFEDSA-N 2 0 295.471 2.217 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(F)c1 ZINC000591570816 345264647 /nfs/dbraw/zinc/26/46/47/345264647.db2.gz RVGMVRKAIVETDQ-DOMZBBRYSA-N 2 0 261.344 2.304 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000591575923 345265314 /nfs/dbraw/zinc/26/53/14/345265314.db2.gz ZZXOEDIVJLMPNI-MRXNPFEDSA-N 2 0 255.365 2.277 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000593736975 345530056 /nfs/dbraw/zinc/53/00/56/345530056.db2.gz PKIUGQVGLJUBGC-OKZBNKHCSA-N 2 0 299.418 2.277 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623087477 349934674 /nfs/dbraw/zinc/93/46/74/349934674.db2.gz TYMGPSHHPXMNBG-HZPDHXFCSA-N 2 0 267.461 2.204 20 30 CEEDRP C[C@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000057994506 362605106 /nfs/dbraw/zinc/60/51/06/362605106.db2.gz MUCLYFGZGRTTLQ-CQSZACIVSA-N 2 0 257.381 2.380 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000595887564 345906945 /nfs/dbraw/zinc/90/69/45/345906945.db2.gz FZCZMSSDOHUEFQ-YESZJQIVSA-N 2 0 269.392 2.160 20 30 CEEDRP N#Cc1ccc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000595895396 345908749 /nfs/dbraw/zinc/90/87/49/345908749.db2.gz LJHZBIIPKVSQIY-GOSISDBHSA-N 2 0 283.419 2.422 20 30 CEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598588509 346378929 /nfs/dbraw/zinc/37/89/29/346378929.db2.gz BEEMCVQUCJHIHG-MRXNPFEDSA-N 2 0 295.471 2.339 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000598679546 346399751 /nfs/dbraw/zinc/39/97/51/346399751.db2.gz JKTHQKJZZQGVAD-MSOLQXFVSA-N 2 0 299.418 2.277 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(C#N)CC1 ZINC000602589520 347090941 /nfs/dbraw/zinc/09/09/41/347090941.db2.gz SXCSPLPGWLOSIF-YMAMQOFZSA-N 2 0 267.417 2.015 20 30 CEEDRP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C#N ZINC000600700589 346673613 /nfs/dbraw/zinc/67/36/13/346673613.db2.gz DGHCVWXEFVUING-UKRRQHHQSA-N 2 0 257.381 2.426 20 30 CEEDRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600709066 346674855 /nfs/dbraw/zinc/67/48/55/346674855.db2.gz NYPZCYMZLVHIHD-UAGQMJEPSA-N 2 0 269.392 2.426 20 30 CEEDRP CC(C)(C#N)c1ccccc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000610859160 347718710 /nfs/dbraw/zinc/71/87/10/347718710.db2.gz DMSADYDWQTUZSV-GJZGRUSLSA-N 2 0 269.392 2.139 20 30 CEEDRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000618577554 348981276 /nfs/dbraw/zinc/98/12/76/348981276.db2.gz LVNURASLGCFDOX-KRWDZBQOSA-N 2 0 287.407 2.103 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CC1([NH3+])CCC1)C(C)C ZINC000236678859 539818058 /nfs/dbraw/zinc/81/80/58/539818058.db2.gz SMEFSRASWWFVIL-OAHLLOKOSA-N 2 0 293.455 2.073 20 30 CEEDRP Cc1nccn1CCCN(CCC#N)Cc1ccccn1 ZINC000136406426 366512359 /nfs/dbraw/zinc/51/23/59/366512359.db2.gz QSPBZWCMRJHXJV-UHFFFAOYSA-N 2 0 283.379 2.393 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC000150972984 366609646 /nfs/dbraw/zinc/60/96/46/366609646.db2.gz KUFWIOULOFGCID-INIZCTEOSA-N 2 0 275.396 2.005 20 30 CEEDRP C=C(C)C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000151003162 366612662 /nfs/dbraw/zinc/61/26/62/366612662.db2.gz ZXUAKOXVNCNENW-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000170908203 367444531 /nfs/dbraw/zinc/44/45/31/367444531.db2.gz SUPJSSRVLKEPML-ZDUSSCGKSA-N 2 0 275.400 2.073 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCC[NH+]2CCCC2)c1 ZINC000170907813 367445144 /nfs/dbraw/zinc/44/51/44/367445144.db2.gz VOIUGCPNQQFLLB-UHFFFAOYSA-N 2 0 260.385 2.071 20 30 CEEDRP CCC(CC)(CNC(=[NH2+])NC)[NH2+][C@@H](C)c1ccccc1 ZINC000171801557 367618368 /nfs/dbraw/zinc/61/83/68/367618368.db2.gz XYBZJNQSLZOXMP-ZDUSSCGKSA-N 2 0 276.428 2.430 20 30 CEEDRP CC(C)[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)o2)C1 ZINC000174352125 368013189 /nfs/dbraw/zinc/01/31/89/368013189.db2.gz UXRKOVIUVWIAJK-ZDUSSCGKSA-N 2 0 261.369 2.361 20 30 CEEDRP C=CCOc1cccc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000346656753 368755990 /nfs/dbraw/zinc/75/59/90/368755990.db2.gz QUTUWAIDDGHLQW-UHFFFAOYSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCOCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348061490 368881255 /nfs/dbraw/zinc/88/12/55/368881255.db2.gz YVMMUMGAWGOZAN-INIZCTEOSA-N 2 0 266.429 2.243 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349822477 369411759 /nfs/dbraw/zinc/41/17/59/369411759.db2.gz POSVSNZOZXPWFA-JKSUJKDBSA-N 2 0 287.407 2.409 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000572951395 299414681 /nfs/dbraw/zinc/41/46/81/299414681.db2.gz MIIAQSAHUJOOCG-KZNAEPCWSA-N 2 0 299.418 2.447 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1C#N ZINC000261600962 371673098 /nfs/dbraw/zinc/67/30/98/371673098.db2.gz ZKXCUFSTOAOSMD-XHSDSOJGSA-N 2 0 285.391 2.126 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)C1 ZINC000264084079 371965688 /nfs/dbraw/zinc/96/56/88/371965688.db2.gz ILSRTTVSOJZMCU-CQSZACIVSA-N 2 0 274.412 2.372 20 30 CEEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000264090263 371967312 /nfs/dbraw/zinc/96/73/12/371967312.db2.gz KSGFLNBUSXVWRS-UHFFFAOYSA-N 2 0 274.412 2.095 20 30 CEEDRP CCCNC(=[NH2+])NCc1ccccc1C[N@H+](C)C(C)C ZINC000264125600 371973816 /nfs/dbraw/zinc/97/38/16/371973816.db2.gz SDMRCFSKWDEHOO-UHFFFAOYSA-N 2 0 276.428 2.341 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)CC[NH+](CC)CC)C1 ZINC000641770695 372713876 /nfs/dbraw/zinc/71/38/76/372713876.db2.gz ZUOHIHHIEZSJNS-PMPSAXMXSA-N 2 0 268.445 2.414 20 30 CEEDRP C=C(Cl)CN1CCC([NH+]2CCN(CCC)CC2)CC1 ZINC000369150200 373345985 /nfs/dbraw/zinc/34/59/85/373345985.db2.gz VVPATGAAXIOVGO-UHFFFAOYSA-N 2 0 285.863 2.231 20 30 CEEDRP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(C#N)c2)CCCO1 ZINC000277661460 374599878 /nfs/dbraw/zinc/59/98/78/374599878.db2.gz FLXIRGXEQQKEEM-HNNXBMFYSA-N 2 0 287.407 2.149 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000684773794 542065128 /nfs/dbraw/zinc/06/51/28/542065128.db2.gz ILSYPDIPTFPZFO-BMFZPTHFSA-N 2 0 266.429 2.288 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786761 375969605 /nfs/dbraw/zinc/96/96/05/375969605.db2.gz UUKYRQUBRRQXBR-IRXDYDNUSA-N 2 0 299.418 2.388 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C#N)cc1F ZINC000290350283 376743336 /nfs/dbraw/zinc/74/33/36/376743336.db2.gz FZVFUSNKUPYLID-BLLLJJGKSA-N 2 0 275.371 2.469 20 30 CEEDRP C=CCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420972376 376751213 /nfs/dbraw/zinc/75/12/13/376751213.db2.gz AQIDXGQWPRPYFE-UHFFFAOYSA-N 2 0 265.445 2.055 20 30 CEEDRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278683320 194101891 /nfs/dbraw/zinc/10/18/91/194101891.db2.gz JXHSRYKULPNUTI-MRXNPFEDSA-N 2 0 287.407 2.056 20 30 CEEDRP C#Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000279148356 194306371 /nfs/dbraw/zinc/30/63/71/194306371.db2.gz ZXRUXNJXFCXDBV-GOSISDBHSA-N 2 0 298.430 2.258 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000152941198 394999649 /nfs/dbraw/zinc/99/96/49/394999649.db2.gz QVZFJJFBOKZKIL-GOEBONIOSA-N 3 0 265.445 2.099 20 30 CEEDRP Cc1cc(C[NH2+]CC2=CC[N@H+](C)CC2)ccc1C#N ZINC000443983948 395408515 /nfs/dbraw/zinc/40/85/15/395408515.db2.gz FDUOYXUEADHZGT-UHFFFAOYSA-N 2 0 255.365 2.218 20 30 CEEDRP N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000574031625 395624668 /nfs/dbraw/zinc/62/46/68/395624668.db2.gz FBVXYNBGNGJSCI-HWOWSKLDSA-N 2 0 285.391 2.200 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000651765486 401386792 /nfs/dbraw/zinc/38/67/92/401386792.db2.gz TUAVZIWSDZTMGC-GVDBMIGSSA-N 2 0 279.472 2.347 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000223523012 153316944 /nfs/dbraw/zinc/31/69/44/153316944.db2.gz PPGDXHRDHCPZMB-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP C=CCCn1cc(CN2CCC(CC[NH+](C)C)CC2)nn1 ZINC000653504268 415018166 /nfs/dbraw/zinc/01/81/66/415018166.db2.gz NOELGJKCXUSOCP-UHFFFAOYSA-N 2 0 291.443 2.018 20 30 CEEDRP C=CCOCCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665263245 415656724 /nfs/dbraw/zinc/65/67/24/415656724.db2.gz JBESXFFAYOBDMK-GFCCVEGCSA-N 2 0 263.385 2.092 20 30 CEEDRP C=CC[N@@H+](CCCC1CC[NH2+]CC1)[C@H](C)COC ZINC000662298824 415763141 /nfs/dbraw/zinc/76/31/41/415763141.db2.gz HLRPGVYOWNMKMI-CQSZACIVSA-N 2 0 254.418 2.289 20 30 CEEDRP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000272884256 263009498 /nfs/dbraw/zinc/00/94/98/263009498.db2.gz ADFRGEUAOUENQE-UHFFFAOYSA-N 2 0 288.439 2.437 20 30 CEEDRP C#Cc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000290314033 263116166 /nfs/dbraw/zinc/11/61/66/263116166.db2.gz IXKOCBDGLYAYCG-UHFFFAOYSA-N 2 0 256.393 2.489 20 30 CEEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+](C)C ZINC000291989808 263126953 /nfs/dbraw/zinc/12/69/53/263126953.db2.gz WGMLNKLGZDSVIM-LBPRGKRZSA-N 2 0 274.412 2.100 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+](C)C)cc1C ZINC000292008890 263127208 /nfs/dbraw/zinc/12/72/08/263127208.db2.gz YLRDBIVTGOTKNL-LLVKDONJSA-N 2 0 262.401 2.228 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000366691515 263132512 /nfs/dbraw/zinc/13/25/12/263132512.db2.gz BSBROURUULZYLB-TWMKSMIVSA-N 2 0 289.423 2.078 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414961958 263166575 /nfs/dbraw/zinc/16/65/75/263166575.db2.gz ZKAVCNROCJQVEU-DZGCQCFKSA-N 2 0 260.381 2.482 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000163589410 264357646 /nfs/dbraw/zinc/35/76/46/264357646.db2.gz OYMBSYWJEGATBT-LSDHHAIUSA-N 2 0 254.418 2.480 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356265798 266083166 /nfs/dbraw/zinc/08/31/66/266083166.db2.gz FERNTFLFULQKIB-AWEZNQCLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370161399 267296051 /nfs/dbraw/zinc/29/60/51/267296051.db2.gz KFTWPDFXTVEBNL-GXTWGEPZSA-N 2 0 292.452 2.431 20 30 CEEDRP N#CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000418144322 267364953 /nfs/dbraw/zinc/36/49/53/267364953.db2.gz SRLODIJBDAWTMC-UHFFFAOYSA-N 2 0 270.380 2.334 20 30 CEEDRP CC#CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266623 268062047 /nfs/dbraw/zinc/06/20/47/268062047.db2.gz LCPJFQUHBAJABT-UHFFFAOYSA-N 2 0 291.483 2.138 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000530244658 268263532 /nfs/dbraw/zinc/26/35/32/268263532.db2.gz PDJWOMZDFGLLRL-ROUUACIJSA-N 2 0 299.418 2.198 20 30 CEEDRP C[C@H](CCC#N)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351413566 289450662 /nfs/dbraw/zinc/45/06/62/289450662.db2.gz MDJKIIYWSQNJMT-BZUAXINKSA-N 2 0 293.455 2.500 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414801739 328231768 /nfs/dbraw/zinc/23/17/68/328231768.db2.gz UQWITRUCOZITHE-GDBMZVCRSA-N 2 0 260.381 2.468 20 30 CEEDRP CC1(C[NH+]2CCOCC2)CC[NH+](CCCCC#N)CC1 ZINC000378273175 329044730 /nfs/dbraw/zinc/04/47/30/329044730.db2.gz PGJDVNFRZMFGMI-UHFFFAOYSA-N 2 0 279.428 2.115 20 30 CEEDRP CC[NH+]=C(NCC[N@H+](C)C(C)C)N1CCc2ccccc21 ZINC000263272665 330051397 /nfs/dbraw/zinc/05/13/97/330051397.db2.gz XHOHJSFWWRGKGK-UHFFFAOYSA-N 2 0 288.439 2.355 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422981374 330162491 /nfs/dbraw/zinc/16/24/91/330162491.db2.gz SLMWZEFNJIXNFP-ZBFHGGJFSA-N 2 0 265.445 2.147 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422974519 330164683 /nfs/dbraw/zinc/16/46/83/330164683.db2.gz FAQAZVMXINGRRO-HOCLYGCPSA-N 2 0 265.445 2.005 20 30 CEEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423019379 330165633 /nfs/dbraw/zinc/16/56/33/330165633.db2.gz VKMFZHDTNHMMKJ-KKUMJFAQSA-N 2 0 254.418 2.071 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423036131 330166595 /nfs/dbraw/zinc/16/65/95/330166595.db2.gz ZYORAHNQWUKTDX-RCCFBDPRSA-N 2 0 286.419 2.447 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423152248 330173138 /nfs/dbraw/zinc/17/31/38/330173138.db2.gz LJQCXJZADNXHKO-JJXSEGSLSA-N 2 0 258.365 2.454 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423158680 330173589 /nfs/dbraw/zinc/17/35/89/330173589.db2.gz WYGYNDQEMJGARZ-TUVASFSCSA-N 2 0 252.402 2.230 20 30 CEEDRP C=CCC[C@H](CCC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423174649 330174827 /nfs/dbraw/zinc/17/48/27/330174827.db2.gz BPSUKRQGJKTBNT-HNNXBMFYSA-N 2 0 253.434 2.006 20 30 CEEDRP C=CCC[C@H](CCC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423447428 330202585 /nfs/dbraw/zinc/20/25/85/330202585.db2.gz ZQSKGZTXQKYQEJ-GJZGRUSLSA-N 2 0 254.418 2.480 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449218920 330907074 /nfs/dbraw/zinc/90/70/74/330907074.db2.gz BDOFGUUGXSBMPR-PCKAHOCUSA-N 2 0 281.444 2.405 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249171667 334329211 /nfs/dbraw/zinc/32/92/11/334329211.db2.gz BRJXEOMTRCWHOL-GJZGRUSLSA-N 2 0 254.418 2.289 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000732569600 574623451 /nfs/dbraw/zinc/62/34/51/574623451.db2.gz RXXQBCXHKKYYAE-UHFFFAOYSA-N 2 0 287.407 2.363 20 30 CEEDRP C[C@H]1CCC[C@@H]([NH+]2CCC(=[NH+]n3cnnc3)CC2)C1 ZINC000733743526 574686106 /nfs/dbraw/zinc/68/61/06/574686106.db2.gz XCULTPXDKDPJGI-GXTWGEPZSA-N 2 0 261.373 2.157 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551589 613753189 /nfs/dbraw/zinc/75/31/89/613753189.db2.gz MTHJODTWWYXJBN-UKRRQHHQSA-N 2 0 298.390 2.103 20 30 CEEDRP Cc1cccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)c1 ZINC000104181660 624320730 /nfs/dbraw/zinc/32/07/30/624320730.db2.gz UURZYPZBVAFEDR-UHFFFAOYSA-N 2 0 260.385 2.063 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001018849006 627673919 /nfs/dbraw/zinc/67/39/19/627673919.db2.gz MLBRCZRSYZWQSY-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000925559021 628224450 /nfs/dbraw/zinc/22/44/50/628224450.db2.gz VIFPGBQDYDYQOK-FVQBIDKESA-N 2 0 293.455 2.282 20 30 CEEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000925770699 628768305 /nfs/dbraw/zinc/76/83/05/628768305.db2.gz KOBYCOTVDNDLME-SOUVJXGZSA-N 2 0 254.418 2.214 20 30 CEEDRP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000925771542 628774005 /nfs/dbraw/zinc/77/40/05/628774005.db2.gz BULGFVYUOAOBGF-GXTWGEPZSA-N 2 0 275.421 2.497 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067222790 629174967 /nfs/dbraw/zinc/17/49/67/629174967.db2.gz OODSJKJLLMEWJQ-INIZCTEOSA-N 2 0 257.381 2.380 20 30 CEEDRP CC[C@]1(C)CCN(C(NC[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)C1 ZINC000261808782 629249594 /nfs/dbraw/zinc/24/95/94/629249594.db2.gz SFWYVKAZJXEKJH-WMLDXEAASA-N 2 0 292.471 2.168 20 30 CEEDRP C[C@H](CC[NH2+][C@@H](C)CC1(C#N)CCOCC1)[NH+](C)C ZINC000895292229 630080350 /nfs/dbraw/zinc/08/03/50/630080350.db2.gz NPLDUARTCUNZAP-UONOGXRCSA-N 2 0 267.417 2.015 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000900430813 633719809 /nfs/dbraw/zinc/71/98/09/633719809.db2.gz TYNCHRDCFGFZEM-UHFFFAOYSA-N 2 0 289.423 2.089 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000900546998 633753424 /nfs/dbraw/zinc/75/34/24/633753424.db2.gz BGILCVGPONJIDM-UHFFFAOYSA-N 2 0 289.423 2.237 20 30 CEEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1 ZINC000817916725 633775665 /nfs/dbraw/zinc/77/56/65/633775665.db2.gz AZNXZQCQCKCZFH-WFASDCNBSA-N 2 0 273.380 2.065 20 30 CEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948789 633794823 /nfs/dbraw/zinc/79/48/23/633794823.db2.gz LEYVETPHFMJKKB-HZPDHXFCSA-N 2 0 257.381 2.360 20 30 CEEDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819134764 634079367 /nfs/dbraw/zinc/07/93/67/634079367.db2.gz MTWXSEKSSHLJOC-ZACQAIPSSA-N 2 0 287.407 2.054 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000903447306 635133005 /nfs/dbraw/zinc/13/30/05/635133005.db2.gz NUIGOJLCSTXBMJ-ZFWWWQNUSA-N 2 0 257.381 2.344 20 30 CEEDRP C=CCCC(C)(C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903932771 635358366 /nfs/dbraw/zinc/35/83/66/635358366.db2.gz GRAVCHGYPODUBD-CYBMUJFWSA-N 2 0 277.416 2.037 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000907615011 637078496 /nfs/dbraw/zinc/07/84/96/637078496.db2.gz UGYOWMFXQXXVHE-UHFFFAOYSA-N 2 0 289.423 2.237 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000876774480 650428264 /nfs/dbraw/zinc/42/82/64/650428264.db2.gz XHSMWRYRTBYCTB-ZDUSSCGKSA-N 2 0 295.814 2.465 20 30 CEEDRP C=CCNC(NC[C@H]1CC[N@@H+](C(C)C)C1)=[NH+]C(C)(C)C ZINC000912497332 638720201 /nfs/dbraw/zinc/72/02/01/638720201.db2.gz RAKIMAJRJQFHMV-CQSZACIVSA-N 2 0 280.460 2.236 20 30 CEEDRP C=CCCOCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231801634 639879815 /nfs/dbraw/zinc/87/98/15/639879815.db2.gz PXRIETILPIZNRX-LSDHHAIUSA-N 2 0 254.418 2.480 20 30 CEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993542342 640654852 /nfs/dbraw/zinc/65/48/52/640654852.db2.gz ZKYYDWUZBIZMIQ-CJNGLKHVSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000998865646 642442295 /nfs/dbraw/zinc/44/22/95/642442295.db2.gz GPDPPOGSFWNJCT-GPANFISMSA-N 2 0 293.455 2.016 20 30 CEEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877616349 650816212 /nfs/dbraw/zinc/81/62/12/650816212.db2.gz BFJGBFSTHPWQQC-GSJFWJNXSA-N 2 0 278.787 2.036 20 30 CEEDRP COCC[N@H+](C[C@@H](C)CCC#N)CC1CC[NH+](C)CC1 ZINC000877664264 650839929 /nfs/dbraw/zinc/83/99/29/650839929.db2.gz LQWQXOBRMLATEW-HNNXBMFYSA-N 2 0 281.444 2.216 20 30 CEEDRP C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212992 645422351 /nfs/dbraw/zinc/42/23/51/645422351.db2.gz SECUJOYBZKEMQN-MRXNPFEDSA-N 2 0 262.397 2.117 20 30 CEEDRP C#CC[N@@H+](CC)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000769107457 646207357 /nfs/dbraw/zinc/20/73/57/646207357.db2.gz VPOLZICAPOPLCD-UHFFFAOYSA-N 2 0 260.381 2.082 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000873279994 649623233 /nfs/dbraw/zinc/62/32/33/649623233.db2.gz OCKRGLVFPOZSPP-HZSPNIEDSA-N 2 0 254.418 2.321 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000878670712 651159984 /nfs/dbraw/zinc/15/99/84/651159984.db2.gz PHNQIFFIFHWHSM-CQSZACIVSA-N 2 0 254.418 2.024 20 30 CEEDRP C=C(Cl)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744292 651177659 /nfs/dbraw/zinc/17/76/59/651177659.db2.gz RDSWGAZBGJAODH-UHFFFAOYSA-N 2 0 251.761 2.346 20 30 CEEDRP C#CCCCCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126593 651247383 /nfs/dbraw/zinc/24/73/83/651247383.db2.gz KNXXXXQJOWNZFC-UHFFFAOYSA-N 2 0 280.456 2.470 20 30 CEEDRP C=C(CC)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126577 651247390 /nfs/dbraw/zinc/24/73/90/651247390.db2.gz JUWSYBLCVPCOEM-UHFFFAOYSA-N 2 0 254.418 2.243 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000879251275 651270708 /nfs/dbraw/zinc/27/07/08/651270708.db2.gz RZPFCGWHAPTDQR-GJZGRUSLSA-N 2 0 261.413 2.486 20 30 CEEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259782 651412071 /nfs/dbraw/zinc/41/20/71/651412071.db2.gz IRKAGUUIHSFWEX-IIAWOOMASA-N 2 0 270.380 2.284 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCn1ccnc1C)[C@@H]1CCCO1 ZINC000883182751 652391817 /nfs/dbraw/zinc/39/18/17/652391817.db2.gz JRJPMJNMSOKBFD-CABCVRRESA-N 2 0 263.385 2.295 20 30 CEEDRP C=CCC[C@H]([NH2+]CCn1ccnc1C)[C@H]1CCCO1 ZINC000883182754 652392149 /nfs/dbraw/zinc/39/21/49/652392149.db2.gz JRJPMJNMSOKBFD-LSDHHAIUSA-N 2 0 263.385 2.295 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@@H]1CCCO1 ZINC000883224563 652405765 /nfs/dbraw/zinc/40/57/65/652405765.db2.gz OLAVOBIEPPHYPL-ILXRZTDVSA-N 2 0 254.418 2.288 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001271425661 805939176 /nfs/dbraw/zinc/93/91/76/805939176.db2.gz IXDNFOUHTVHKQY-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211278678 802807490 /nfs/dbraw/zinc/80/74/90/802807490.db2.gz UAEKAWDMORMKHA-JKSUJKDBSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025005 803066500 /nfs/dbraw/zinc/06/65/00/803066500.db2.gz CUXSHJOHWXDFTL-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001267328764 803372671 /nfs/dbraw/zinc/37/26/71/803372671.db2.gz HTGDRPCFKNHKEW-UHFFFAOYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCCC[C@H]1CCC[NH2+]C1 ZINC001217927465 803507785 /nfs/dbraw/zinc/50/77/85/803507785.db2.gz SGMOWSKNTUYLJK-BZUAXINKSA-N 2 0 266.429 2.480 20 30 CEEDRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC001118060065 814980789 /nfs/dbraw/zinc/98/07/89/814980789.db2.gz VLEXIPZMGKMWBX-CHWSQXEVSA-N 2 0 261.369 2.095 20 30 CEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001027463118 804080497 /nfs/dbraw/zinc/08/04/97/804080497.db2.gz RWUFSLSZOZVKBK-CQSZACIVSA-N 2 0 298.390 2.285 20 30 CEEDRP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268103390 804440318 /nfs/dbraw/zinc/44/03/18/804440318.db2.gz BOEFTSZEWYNZAM-BZUAXINKSA-N 2 0 295.471 2.023 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287833 805113859 /nfs/dbraw/zinc/11/38/59/805113859.db2.gz NIUCVMFNIROROJ-HOTGVXAUSA-N 2 0 295.471 2.216 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269454323 805169238 /nfs/dbraw/zinc/16/92/38/805169238.db2.gz LRZCXKVNRJACGF-JYJNAYRXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH+]1CC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442179 807190282 /nfs/dbraw/zinc/19/02/82/807190282.db2.gz OKONKWHGOZNBKS-MRXNPFEDSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046316307 807545541 /nfs/dbraw/zinc/54/55/41/807545541.db2.gz NUJSRVBHDNPDAK-WBVHZDCISA-N 2 0 293.455 2.016 20 30 CEEDRP C#CC[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625707 815137370 /nfs/dbraw/zinc/13/73/70/815137370.db2.gz LZKPLWRMRCZQEC-VJANTYMQSA-N 2 0 298.430 2.013 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171724968 815218007 /nfs/dbraw/zinc/21/80/07/815218007.db2.gz APSZCCYTJKSBFH-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C[N@H+](CCCCCC[NH3+])C[C@@H](O)c1ccc(C#N)cc1 ZINC000710800349 809993996 /nfs/dbraw/zinc/99/39/96/809993996.db2.gz WDDWMFOLNUGHKZ-MRXNPFEDSA-N 2 0 275.396 2.043 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000172621130 810409215 /nfs/dbraw/zinc/40/92/15/810409215.db2.gz ONLGNNYUJVFXSU-MRXNPFEDSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632588 810725374 /nfs/dbraw/zinc/72/53/74/810725374.db2.gz RTMAMQQIZFIJFW-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044679954 811522593 /nfs/dbraw/zinc/52/25/93/811522593.db2.gz DIUWALUMEZSVAQ-HIFRSBDPSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046315067 811733983 /nfs/dbraw/zinc/73/39/83/811733983.db2.gz RAQLGGOVOMNTLS-KRWDZBQOSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109464405 811894200 /nfs/dbraw/zinc/89/42/00/811894200.db2.gz YXIOKIJVPMLOJM-ILXRZTDVSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868206 811963851 /nfs/dbraw/zinc/96/38/51/811963851.db2.gz GRUQGJDLFYZDMR-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206173258 815490524 /nfs/dbraw/zinc/49/05/24/815490524.db2.gz GFFOYILNELDCQO-GJZGRUSLSA-N 2 0 286.354 2.301 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622451 812591245 /nfs/dbraw/zinc/59/12/45/812591245.db2.gz JCYMZUBFQZZBSQ-UHFFFAOYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106963 812787966 /nfs/dbraw/zinc/78/79/66/812787966.db2.gz WPXFYBSZIQVUJF-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377743 812838500 /nfs/dbraw/zinc/83/85/00/812838500.db2.gz ZUVWHLDLQZMZQD-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517418 812871937 /nfs/dbraw/zinc/87/19/37/812871937.db2.gz CCAVAFSADUEDDX-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773740 813323153 /nfs/dbraw/zinc/32/31/53/813323153.db2.gz RCPWYJDOZPDLSK-ZIAGYGMSSA-N 2 0 283.460 2.166 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135478044 813446232 /nfs/dbraw/zinc/44/62/32/813446232.db2.gz UIUAKECEZSWHCM-HZPDHXFCSA-N 2 0 297.487 2.413 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863643 813559379 /nfs/dbraw/zinc/55/93/79/813559379.db2.gz XHXWDDKFCXFDLK-ARFHVFGLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171173356 814052887 /nfs/dbraw/zinc/05/28/87/814052887.db2.gz AQGMMGPMHOSOGV-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001100427679 814118839 /nfs/dbraw/zinc/11/88/39/814118839.db2.gz BGNQTISUUQUTSB-GPANFISMSA-N 2 0 295.471 2.023 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001171226265 814191523 /nfs/dbraw/zinc/19/15/23/814191523.db2.gz DRXLWCNJKSSFGN-INIZCTEOSA-N 2 0 297.487 2.395 20 30 CEEDRP C=C/C(=[NH+]\COC)n1c(CC[NH3+])cc2ccccc21 ZINC001171301663 814411406 /nfs/dbraw/zinc/41/14/06/814411406.db2.gz FUYWHBXTBPJOMR-BMRADRMJSA-N 2 0 257.337 2.179 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115806149 814757644 /nfs/dbraw/zinc/75/76/44/814757644.db2.gz OMMYAVBCBWGPDV-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206196650 815624858 /nfs/dbraw/zinc/62/48/58/815624858.db2.gz CJDGACICFOSVMK-LSDHHAIUSA-N 2 0 261.344 2.128 20 30 CEEDRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173340733 815683592 /nfs/dbraw/zinc/68/35/92/815683592.db2.gz KCIKXSVNZIIRBL-IRHLINNNSA-N 2 0 261.413 2.342 20 30 CEEDRP CC1(C#N)CCC(NC(=[NH2+])SCCSC(N)=[NH2+])CC1 ZINC001173588391 815754048 /nfs/dbraw/zinc/75/40/48/815754048.db2.gz GMWARHUFUJRVFI-UHFFFAOYSA-N 2 0 299.469 2.343 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174960064 816116601 /nfs/dbraw/zinc/11/66/01/816116601.db2.gz DEBXSCICOHFLEQ-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263424 816165078 /nfs/dbraw/zinc/16/50/78/816165078.db2.gz POSUYMOZMPMHSG-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263426 816165157 /nfs/dbraw/zinc/16/51/57/816165157.db2.gz POSUYMOZMPMHSG-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164681 816365712 /nfs/dbraw/zinc/36/57/12/816365712.db2.gz DGKJPQLGACEVJK-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176230877 816371456 /nfs/dbraw/zinc/37/14/56/816371456.db2.gz OGFZLLJGRUSTTM-INIZCTEOSA-N 2 0 295.471 2.006 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566196 816442328 /nfs/dbraw/zinc/44/23/28/816442328.db2.gz ZKOCPKWLLLJXLP-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177336859 816549298 /nfs/dbraw/zinc/54/92/98/816549298.db2.gz ZWSYHPIHXKLATC-UHFFFAOYSA-N 2 0 295.471 2.315 20 30 CEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001178045784 816663697 /nfs/dbraw/zinc/66/36/97/816663697.db2.gz VFIPUJAOVLCYJG-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001178634480 816775140 /nfs/dbraw/zinc/77/51/40/816775140.db2.gz WNSVGDQPQZIVNN-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179585468 816885992 /nfs/dbraw/zinc/88/59/92/816885992.db2.gz IMLCNZIKZRPJCM-JKSUJKDBSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000668552438 539196671 /nfs/dbraw/zinc/19/66/71/539196671.db2.gz MGEHPAXJEFICQW-CABCVRRESA-N 2 0 264.413 2.328 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(F)c1C#N ZINC000602010797 346957432 /nfs/dbraw/zinc/95/74/32/346957432.db2.gz DSONOQDFPFMPTA-CQSZACIVSA-N 2 0 293.386 2.144 20 30 CEEDRP C[NH+]=C(NCC(C)(C)[NH2+][C@H](C)c1ccccc1)NC1CC1 ZINC000069672681 343789772 /nfs/dbraw/zinc/78/97/72/343789772.db2.gz FGKKNTMKLBHFDD-CYBMUJFWSA-N 2 0 288.439 2.443 20 30 CEEDRP C[NH+]=C(NCc1ccsc1)NCC1([NH+](C)C)CCCC1 ZINC000083803807 344079717 /nfs/dbraw/zinc/07/97/17/344079717.db2.gz PCVYJQSJHBHQHH-UHFFFAOYSA-N 2 0 294.468 2.288 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474956 347048578 /nfs/dbraw/zinc/04/85/78/347048578.db2.gz JULGRQHKVHJGKB-CJNGLKHVSA-N 2 0 272.396 2.115 20 30 CEEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000311565500 344734750 /nfs/dbraw/zinc/73/47/50/344734750.db2.gz LMGLUZSYHDGUGJ-HOTGVXAUSA-N 2 0 255.365 2.119 20 30 CEEDRP COCCC[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602527006 347066905 /nfs/dbraw/zinc/06/69/05/347066905.db2.gz HPDMVLCDAVIYTD-AWEZNQCLSA-N 2 0 267.417 2.017 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579220 345266070 /nfs/dbraw/zinc/26/60/70/345266070.db2.gz BRLBOQQOOIBKER-DOMZBBRYSA-N 2 0 255.365 2.351 20 30 CEEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000592471037 345358213 /nfs/dbraw/zinc/35/82/13/345358213.db2.gz UIMIXFOVAGQACY-SVXVCFNTSA-N 2 0 261.413 2.294 20 30 CEEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182164 345335034 /nfs/dbraw/zinc/33/50/34/345335034.db2.gz KXVZKAFSDICTOC-OAHLLOKOSA-N 2 0 299.418 2.416 20 30 CEEDRP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594462312 345635960 /nfs/dbraw/zinc/63/59/60/345635960.db2.gz CTIJBPSPZLZRIN-HNNXBMFYSA-N 2 0 288.395 2.098 20 30 CEEDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889640 345907269 /nfs/dbraw/zinc/90/72/69/345907269.db2.gz AQWYQRFXEHZOIQ-CJNGLKHVSA-N 2 0 257.381 2.160 20 30 CEEDRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585446 346377872 /nfs/dbraw/zinc/37/78/72/346377872.db2.gz CYLGUXWUKUQNMH-INIZCTEOSA-N 2 0 295.471 2.341 20 30 CEEDRP C[C@@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723120 346408960 /nfs/dbraw/zinc/40/89/60/346408960.db2.gz FEVMTKMFHAZRGN-GJZGRUSLSA-N 2 0 281.444 2.141 20 30 CEEDRP Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C#N ZINC000600700590 346673516 /nfs/dbraw/zinc/67/35/16/346673516.db2.gz DGHCVWXEFVUING-ZFWWWQNUSA-N 2 0 257.381 2.426 20 30 CEEDRP Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C#N ZINC000600710649 346676013 /nfs/dbraw/zinc/67/60/13/346676013.db2.gz PWCCEBHRBBLAJS-BBRMVZONSA-N 2 0 257.381 2.283 20 30 CEEDRP N#Cc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)o1 ZINC000600768940 346686679 /nfs/dbraw/zinc/68/66/79/346686679.db2.gz IGBLMMSILPWSBN-SWLSCSKDSA-N 2 0 259.353 2.115 20 30 CEEDRP C=CC[C@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000625704453 350551289 /nfs/dbraw/zinc/55/12/89/350551289.db2.gz XXLYOFXFVBGVND-KRWDZBQOSA-N 2 0 279.472 2.301 20 30 CEEDRP C[NH2+]CCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000070188987 363051170 /nfs/dbraw/zinc/05/11/70/363051170.db2.gz CTDQQAANHHTYTH-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000130567359 283143510 /nfs/dbraw/zinc/14/35/10/283143510.db2.gz LUWODUSFCORUMP-XHSDSOJGSA-N 2 0 255.365 2.117 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133652035 366243307 /nfs/dbraw/zinc/24/33/07/366243307.db2.gz HHDAAYUFUAXDOP-JKIFEVAISA-N 2 0 287.407 2.255 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090106666 364040886 /nfs/dbraw/zinc/04/08/86/364040886.db2.gz HYPURKMMCYWRQX-HZPDHXFCSA-N 2 0 285.391 2.153 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000334992702 364319977 /nfs/dbraw/zinc/31/99/77/364319977.db2.gz KCGVOLCRYVAEPX-MRXNPFEDSA-N 2 0 255.365 2.134 20 30 CEEDRP C=CCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000117881239 365130389 /nfs/dbraw/zinc/13/03/89/365130389.db2.gz NYXSLOAFTOFCJH-MRXNPFEDSA-N 2 0 265.445 2.055 20 30 CEEDRP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335538331 212235674 /nfs/dbraw/zinc/23/56/74/212235674.db2.gz IVROHWLBINNFJC-IRXDYDNUSA-N 2 0 269.392 2.380 20 30 CEEDRP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181675255 368481188 /nfs/dbraw/zinc/48/11/88/368481188.db2.gz SUMWKUUDHAWLHN-RHSMWYFYSA-N 2 0 287.407 2.320 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000192880658 369866632 /nfs/dbraw/zinc/86/66/32/369866632.db2.gz VRMQKLQORGXLLR-VYDXJSESSA-N 2 0 291.439 2.159 20 30 CEEDRP COc1cc(CNC[C@H](C)C[NH+]2CCCC2)ccc1C#N ZINC000234919650 370549875 /nfs/dbraw/zinc/54/98/75/370549875.db2.gz UREFLJGKTWKEGR-AWEZNQCLSA-N 2 0 287.407 2.388 20 30 CEEDRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)ccc1C#N ZINC000234921025 370549992 /nfs/dbraw/zinc/54/99/92/370549992.db2.gz IMSHWDFWGXPIHI-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429895 220077580 /nfs/dbraw/zinc/07/75/80/220077580.db2.gz VDIMEIAZVUVNKF-YOEHRIQHSA-N 2 0 269.392 2.477 20 30 CEEDRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)CCC#N)CC2)CC1 ZINC000420972034 376751068 /nfs/dbraw/zinc/75/10/68/376751068.db2.gz AKSOLWOMAPGWHU-MRXNPFEDSA-N 2 0 292.471 2.171 20 30 CEEDRP CN(C)C(=[NH+]C[C@@H](c1cccs1)[NH+]1CCCC1)N(C)C ZINC000262214405 394615081 /nfs/dbraw/zinc/61/50/81/394615081.db2.gz FDWZWXIAZAABCZ-ZDUSSCGKSA-N 2 0 294.468 2.364 20 30 CEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000104152103 394717776 /nfs/dbraw/zinc/71/77/76/394717776.db2.gz JUJZUUWFFFCJIH-UHFFFAOYSA-N 2 0 262.401 2.372 20 30 CEEDRP C=CCN(CC1(C[N@H+](CC=C)C2CC2)COC1)C1CC1 ZINC000360213051 394793122 /nfs/dbraw/zinc/79/31/22/394793122.db2.gz MSAYQCGSAVNIFX-UHFFFAOYSA-N 2 0 276.424 2.304 20 30 CEEDRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423348596 394895892 /nfs/dbraw/zinc/89/58/92/394895892.db2.gz UJJFFYXNDYGVRK-NSHDSACASA-N 2 0 259.328 2.268 20 30 CEEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423406762 394915709 /nfs/dbraw/zinc/91/57/09/394915709.db2.gz UYGPSMQJGODLGS-RLCCDNCMSA-N 2 0 255.365 2.133 20 30 CEEDRP C=C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289647488 395082752 /nfs/dbraw/zinc/08/27/52/395082752.db2.gz GBCCAITUKPVGTN-XLAORIBOSA-N 2 0 286.419 2.319 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347006955 395117976 /nfs/dbraw/zinc/11/79/76/395117976.db2.gz CXMSRTITLMFBDO-AWEZNQCLSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346859473 395110412 /nfs/dbraw/zinc/11/04/12/395110412.db2.gz SDVYOSFTACMICH-UAGQMJEPSA-N 2 0 272.392 2.421 20 30 CEEDRP CC[NH+]=C(NCc1ccoc1)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000179200785 395183340 /nfs/dbraw/zinc/18/33/40/395183340.db2.gz AQFAJDABGNOFSU-ZFWWWQNUSA-N 2 0 292.427 2.063 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530244229 395455290 /nfs/dbraw/zinc/45/52/90/395455290.db2.gz WTCQUKUDIHHEIP-SFHVURJKSA-N 2 0 299.418 2.149 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648744956 395973231 /nfs/dbraw/zinc/97/32/31/395973231.db2.gz SMXSCUZWVVTHIZ-SJORKVTESA-N 2 0 290.407 2.060 20 30 CEEDRP COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1C#N ZINC000375934370 157164020 /nfs/dbraw/zinc/16/40/20/157164020.db2.gz VMUKJQVMLFDJEO-INIZCTEOSA-N 2 0 287.407 2.483 20 30 CEEDRP C[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000037748380 173670601 /nfs/dbraw/zinc/67/06/01/173670601.db2.gz YVHBYWAYUIONOL-ZDUSSCGKSA-N 2 0 257.381 2.378 20 30 CEEDRP C=CCOCCC[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262970 415656119 /nfs/dbraw/zinc/65/61/19/415656119.db2.gz CXLGVQMHWDOGQJ-LSDHHAIUSA-N 2 0 254.418 2.480 20 30 CEEDRP C=CC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CCC[NH2+]1 ZINC000662735371 415948580 /nfs/dbraw/zinc/94/85/80/415948580.db2.gz NBTYQYRKVFEHJF-WBVHZDCISA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[C@@]1(C(=O)NC2CC[NH+](CCCC)CC2)CCC[NH2+]1 ZINC000662700190 415935663 /nfs/dbraw/zinc/93/56/63/415935663.db2.gz POYXDIZTULXXLW-KRWDZBQOSA-N 2 0 293.455 2.065 20 30 CEEDRP C[C@H](CCNC(=[NH2+])N(C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000273353538 263016073 /nfs/dbraw/zinc/01/60/73/263016073.db2.gz QXOQQDAEOMLBBW-CQSZACIVSA-N 2 0 288.439 2.306 20 30 CEEDRP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+](C)C1CC1 ZINC000288731339 263105746 /nfs/dbraw/zinc/10/57/46/263105746.db2.gz NRZPMBGATIYCPA-SECBINFHSA-N 2 0 282.338 2.174 20 30 CEEDRP C[NH+](C)CC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000361694309 266871483 /nfs/dbraw/zinc/87/14/83/266871483.db2.gz XWBUVWWGTOGXCP-UHFFFAOYSA-N 2 0 256.393 2.312 20 30 CEEDRP C=C(CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000287308635 328250663 /nfs/dbraw/zinc/25/06/63/328250663.db2.gz UFMNBDTYDQRMQJ-MRXNPFEDSA-N 2 0 286.423 2.088 20 30 CEEDRP CC[C@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288752486 328253458 /nfs/dbraw/zinc/25/34/58/328253458.db2.gz RDEBJIXKDXHFND-JTQLQIEISA-N 2 0 284.354 2.422 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414968245 328283972 /nfs/dbraw/zinc/28/39/72/328283972.db2.gz YHCLKPLCBGETEP-HIFRSBDPSA-N 2 0 290.407 2.348 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184234845 328527175 /nfs/dbraw/zinc/52/71/75/328527175.db2.gz VVACJDDAOUNCOM-UHFFFAOYSA-N 2 0 293.455 2.052 20 30 CEEDRP CC[C@@]1(C)CCN(C(NCC(C)(C)[NH+](C)C)=[NH+]C)C1 ZINC000261770658 329982391 /nfs/dbraw/zinc/98/23/91/329982391.db2.gz OATWVNHIEZQWSH-HNNXBMFYSA-N 2 0 268.449 2.024 20 30 CEEDRP CC(C)(C)[NH2+]CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262237150 330002233 /nfs/dbraw/zinc/00/22/33/330002233.db2.gz AMWTZDHFENHXEL-UHFFFAOYSA-N 2 0 270.327 2.080 20 30 CEEDRP C[C@H]1CCCN(C(=[NH2+])NC2CC([NH+]3CCCCC3)C2)C1 ZINC000262494154 330017557 /nfs/dbraw/zinc/01/75/57/330017557.db2.gz VTZBWZGKIIIYMT-NFOMZHRRSA-N 2 0 278.444 2.050 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834971 330156983 /nfs/dbraw/zinc/15/69/83/330156983.db2.gz ONLSNHHNKXBBJF-IXDOHACOSA-N 2 0 279.472 2.415 20 30 CEEDRP C=CC[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422854692 330157646 /nfs/dbraw/zinc/15/76/46/330157646.db2.gz BFPCVBUQNZIYKQ-IAGOWNOFSA-N 2 0 271.408 2.371 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000422910048 330159893 /nfs/dbraw/zinc/15/98/93/330159893.db2.gz POPUNNKNTSYJBR-DZGCQCFKSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423395834 330200954 /nfs/dbraw/zinc/20/09/54/330200954.db2.gz AXXZYUYIZSNWLN-CQSZACIVSA-N 2 0 254.418 2.337 20 30 CEEDRP C=CC[NH+]1CCC(NCc2ccncc2Cl)CC1 ZINC000527657175 330273460 /nfs/dbraw/zinc/27/34/60/330273460.db2.gz OEMFIIQFTFQFGD-UHFFFAOYSA-N 2 0 265.788 2.475 20 30 CEEDRP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424178207 330318067 /nfs/dbraw/zinc/31/80/67/330318067.db2.gz WDXAMFVUJDMBLC-OAHLLOKOSA-N 2 0 288.395 2.016 20 30 CEEDRP C=CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000121016555 330394952 /nfs/dbraw/zinc/39/49/52/330394952.db2.gz DWLZERABYKJACP-KRWDZBQOSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000449094164 330898607 /nfs/dbraw/zinc/89/86/07/330898607.db2.gz QOQXDNCWQRJIFC-HUUCEWRRSA-N 2 0 254.418 2.168 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291033 331166702 /nfs/dbraw/zinc/16/67/02/331166702.db2.gz MZPNEPMIMQKWGV-MRXNPFEDSA-N 2 0 288.439 2.069 20 30 CEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981197828 613861148 /nfs/dbraw/zinc/86/11/48/613861148.db2.gz CLBLQMWHJTYKOH-HUUCEWRRSA-N 2 0 298.390 2.151 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201177 623833143 /nfs/dbraw/zinc/83/31/43/623833143.db2.gz GDJDZSSHYDXGAB-OWCLPIDISA-N 2 0 293.455 2.062 20 30 CEEDRP COCC#CCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000677133078 624031610 /nfs/dbraw/zinc/03/16/10/624031610.db2.gz GMDCRZQADSCMST-DLBZAZTESA-N 2 0 278.440 2.223 20 30 CEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957276 624793014 /nfs/dbraw/zinc/79/30/14/624793014.db2.gz QAMXYNFHFZSVDM-XHSDSOJGSA-N 2 0 293.455 2.064 20 30 CEEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000902394108 634633631 /nfs/dbraw/zinc/63/36/31/634633631.db2.gz WDQYSKOOXQVEIY-INIZCTEOSA-N 2 0 271.408 2.469 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000104160658 628630163 /nfs/dbraw/zinc/63/01/63/628630163.db2.gz VFKQMWKETXBSKI-AWEZNQCLSA-N 2 0 268.449 2.200 20 30 CEEDRP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925783628 628818644 /nfs/dbraw/zinc/81/86/44/628818644.db2.gz FYESCNUYTMNWFF-KCXAZCMYSA-N 2 0 257.381 2.454 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccco1 ZINC000925813442 628866314 /nfs/dbraw/zinc/86/63/14/628866314.db2.gz VTKDOKXBNXVMPO-OAHLLOKOSA-N 2 0 277.412 2.300 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC000925836829 628934293 /nfs/dbraw/zinc/93/42/93/628934293.db2.gz DMGRLGOIBMFMBC-DZGCQCFKSA-N 2 0 257.381 2.344 20 30 CEEDRP CC[C@]1(C)CCN(C(NC[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C)C1 ZINC000261808781 629249514 /nfs/dbraw/zinc/24/95/14/629249514.db2.gz SFWYVKAZJXEKJH-RHSMWYFYSA-N 2 0 292.471 2.168 20 30 CEEDRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C1CC1 ZINC000261992803 629414980 /nfs/dbraw/zinc/41/49/80/629414980.db2.gz MSQBXVULZAYWLH-INIZCTEOSA-N 2 0 286.423 2.242 20 30 CEEDRP CC(C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCCCC1 ZINC000303784700 631091364 /nfs/dbraw/zinc/09/13/64/631091364.db2.gz PPWXOPXKKGZSJW-UHFFFAOYSA-N 2 0 288.439 2.485 20 30 CEEDRP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000809627543 632115801 /nfs/dbraw/zinc/11/58/01/632115801.db2.gz XMTJDWABABIRPR-OALUTQOASA-N 2 0 298.430 2.135 20 30 CEEDRP C[N@@H+]1CCC[C@@]2(CCN(C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146812 632971477 /nfs/dbraw/zinc/97/14/77/632971477.db2.gz UBORSJGSZLCZML-ZWKOTPCHSA-N 2 0 299.418 2.009 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH2+]CC2)cc1 ZINC000817934661 633786389 /nfs/dbraw/zinc/78/63/89/633786389.db2.gz AIZAWGRXMFEFLO-CYBMUJFWSA-N 2 0 258.365 2.101 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000817977786 633821124 /nfs/dbraw/zinc/82/11/24/633821124.db2.gz PBJBBZGHJWFQIE-UONOGXRCSA-N 2 0 260.381 2.477 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000903425281 635112774 /nfs/dbraw/zinc/11/27/74/635112774.db2.gz ZDYFRJDPDTVKBO-CZUORRHYSA-N 2 0 257.381 2.344 20 30 CEEDRP N#CC1CCC(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000903454189 635138286 /nfs/dbraw/zinc/13/82/86/635138286.db2.gz WYUOHSIVFMSYPL-MMADZMRASA-N 2 0 291.439 2.145 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000903482598 635150816 /nfs/dbraw/zinc/15/08/16/635150816.db2.gz LYJDBUKRUKNEEH-GJZGRUSLSA-N 2 0 257.381 2.391 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000903482599 635151188 /nfs/dbraw/zinc/15/11/88/635151188.db2.gz LYJDBUKRUKNEEH-HUUCEWRRSA-N 2 0 257.381 2.391 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000876509114 650295423 /nfs/dbraw/zinc/29/54/23/650295423.db2.gz HZIXXHPTMOAOEC-CYBMUJFWSA-N 2 0 281.787 2.205 20 30 CEEDRP C#CC1CC[NH+](CC[C@@H](C)[NH+]2CCC(C#C)CC2)CC1 ZINC000830343044 637041954 /nfs/dbraw/zinc/04/19/54/637041954.db2.gz KIXVGXOBWVKCOQ-MRXNPFEDSA-N 2 0 272.436 2.455 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000876743246 650416029 /nfs/dbraw/zinc/41/60/29/650416029.db2.gz ACRFJNRMWCBUGJ-CQSZACIVSA-N 2 0 295.814 2.199 20 30 CEEDRP CC(C)[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912509492 638713893 /nfs/dbraw/zinc/71/38/93/638713893.db2.gz IFIDNOIUEYWESR-AWEZNQCLSA-N 2 0 282.476 2.459 20 30 CEEDRP C#CC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000843429026 640427752 /nfs/dbraw/zinc/42/77/52/640427752.db2.gz SMKNUCCXCIPYDZ-UHFFFAOYSA-N 2 0 286.419 2.472 20 30 CEEDRP CC(C)[N@H+](C)CCCNCc1csc(C#N)c1 ZINC000921522472 642191228 /nfs/dbraw/zinc/19/12/28/642191228.db2.gz QYJJSBJBRFPXCB-UHFFFAOYSA-N 2 0 251.399 2.440 20 30 CEEDRP C#CCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000850185784 642610806 /nfs/dbraw/zinc/61/08/06/642610806.db2.gz LZNVKMQJVCJUQJ-UHFFFAOYSA-N 2 0 254.337 2.160 20 30 CEEDRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@H](O)c2ccc(C#N)cc2)[C@H]1C ZINC000923424987 643704319 /nfs/dbraw/zinc/70/43/19/643704319.db2.gz VVBBCPKSSVDXIA-GFOFROLCSA-N 2 0 287.407 2.039 20 30 CEEDRP C(=[NH+]n1cnnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000853254294 643723000 /nfs/dbraw/zinc/72/30/00/643723000.db2.gz PXNBAPWPCXHSTP-UHFFFAOYSA-N 2 0 269.352 2.024 20 30 CEEDRP CC#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585676 644696044 /nfs/dbraw/zinc/69/60/44/644696044.db2.gz LGRRQTHNQLLCMJ-QGZVFWFLSA-N 2 0 287.407 2.010 20 30 CEEDRP C[C@H]1CCC[C@](CNC(=[NH2+])NC2CCCC2)([NH+](C)C)C1 ZINC000203056285 646460545 /nfs/dbraw/zinc/46/05/45/646460545.db2.gz DLJTYPAOGFCBHV-BBRMVZONSA-N 2 0 280.460 2.344 20 30 CEEDRP Cc1cc(NN=Cc2ccc(OCC[NH+](C)C)cc2)cc[nH+]1 ZINC000863158615 646657285 /nfs/dbraw/zinc/65/72/85/646657285.db2.gz JAQCEZBEVKEERK-UHFFFAOYSA-N 2 0 298.390 2.198 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)[C@H](C)C1 ZINC000866616365 647843246 /nfs/dbraw/zinc/84/32/46/647843246.db2.gz XTTUREFFQUXNPA-BVGQSLNGSA-N 2 0 283.419 2.345 20 30 CEEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@@H]1CC[NH2+]C1 ZINC000866698487 647873197 /nfs/dbraw/zinc/87/31/97/647873197.db2.gz WGEPCMAOJBKHFR-HNNXBMFYSA-N 2 0 257.381 2.032 20 30 CEEDRP C#CCCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000879001144 651226487 /nfs/dbraw/zinc/22/64/87/651226487.db2.gz QTGFGPYCHWDMII-MRXNPFEDSA-N 2 0 266.429 2.223 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271665443 806016712 /nfs/dbraw/zinc/01/67/12/806016712.db2.gz LCAFOKKRQAYMAA-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001271886660 806127844 /nfs/dbraw/zinc/12/78/44/806127844.db2.gz VBIJCLMMYUNUNZ-JKSUJKDBSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088621690 806570384 /nfs/dbraw/zinc/57/03/84/806570384.db2.gz OOXCRPPXONTQCX-PMPSAXMXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744764 802727263 /nfs/dbraw/zinc/72/72/63/802727263.db2.gz VNOJWCMIBDWLMA-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266813533 802917366 /nfs/dbraw/zinc/91/73/66/802917366.db2.gz VDIHMAQNKGDGIL-MRXNPFEDSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132437717 812851967 /nfs/dbraw/zinc/85/19/67/812851967.db2.gz XPCLWBKNRNJDKK-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+][C@H](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001267154768 803170464 /nfs/dbraw/zinc/17/04/64/803170464.db2.gz JYKZUZWJHVDUTE-CQSZACIVSA-N 2 0 289.423 2.032 20 30 CEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167811944 804356679 /nfs/dbraw/zinc/35/66/79/804356679.db2.gz CZMWZWVZAVBRBB-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089061130 807325859 /nfs/dbraw/zinc/32/58/59/807325859.db2.gz ZBFXCFYWJQTRHZ-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463405 808404218 /nfs/dbraw/zinc/40/42/18/808404218.db2.gz GBYZDCYIPWLVRL-INIZCTEOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034205770 809548585 /nfs/dbraw/zinc/54/85/85/809548585.db2.gz YGWFLNXZZULTNA-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034205773 809548659 /nfs/dbraw/zinc/54/86/59/809548659.db2.gz YGWFLNXZZULTNA-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001034205772 809549261 /nfs/dbraw/zinc/54/92/61/809549261.db2.gz YGWFLNXZZULTNA-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)CC2)CC1 ZINC001172245388 815356918 /nfs/dbraw/zinc/35/69/18/815356918.db2.gz UDCYSGAPNOSGGC-GASCZTMLSA-N 2 0 279.428 2.159 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001122116110 815385435 /nfs/dbraw/zinc/38/54/35/815385435.db2.gz QBKOILRBMGUFNV-HRCADAONSA-N 2 0 295.471 2.417 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130303782 812554537 /nfs/dbraw/zinc/55/45/37/812554537.db2.gz JRNBZXNMYSYKBY-HNNXBMFYSA-N 2 0 283.460 2.147 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269548 812814935 /nfs/dbraw/zinc/81/49/35/812814935.db2.gz LVIFPZLFXWGYNQ-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434093 812849958 /nfs/dbraw/zinc/84/99/58/812849958.db2.gz TYFPXPUXTMEYTR-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772903 813323653 /nfs/dbraw/zinc/32/36/53/813323653.db2.gz IYWFVKNPIPLTLY-UONOGXRCSA-N 2 0 283.460 2.166 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377858 813419699 /nfs/dbraw/zinc/41/96/99/813419699.db2.gz DXSMUNWACMVEDH-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966444 813575149 /nfs/dbraw/zinc/57/51/49/813575149.db2.gz OPLNNDVHPHHQMD-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCOC1CCC([NH2+]CC2([NH3+])CCCC2)CC1 ZINC001246077133 813671592 /nfs/dbraw/zinc/67/15/92/813671592.db2.gz UABOXJVIWKIKSM-UHFFFAOYSA-N 2 0 252.402 2.361 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839008 813678391 /nfs/dbraw/zinc/67/83/91/813678391.db2.gz RQVBBJUCWWJYCC-INIZCTEOSA-N 2 0 295.471 2.026 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001171192957 814086112 /nfs/dbraw/zinc/08/61/12/814086112.db2.gz RCTDGOWEMJHYBT-KCXAZCMYSA-N 2 0 257.381 2.349 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC001171192988 814086202 /nfs/dbraw/zinc/08/62/02/814086202.db2.gz RGWVVLIJTUEKFL-CYBMUJFWSA-N 2 0 257.381 2.302 20 30 CEEDRP C#Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001144578557 814114092 /nfs/dbraw/zinc/11/40/92/814114092.db2.gz HHXQSYRKXRNQLB-UHFFFAOYSA-N 2 0 254.377 2.196 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537650 814295250 /nfs/dbraw/zinc/29/52/50/814295250.db2.gz ZDNDXIHYSYCXJN-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)C[NH+](CC)CC)CCCCC1 ZINC001115778840 814754993 /nfs/dbraw/zinc/75/49/93/814754993.db2.gz UZDGXLHZJSLFJQ-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP CC[N@@H+]1CC[C@@H](n2cc(CC[NH3+])c3cc(C#N)ccc32)C1 ZINC001173360673 815700827 /nfs/dbraw/zinc/70/08/27/815700827.db2.gz QSMXMSCYWJGBAX-OAHLLOKOSA-N 2 0 282.391 2.281 20 30 CEEDRP N#CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206198649 815711268 /nfs/dbraw/zinc/71/12/68/815711268.db2.gz NDCQDXHFWQZPJB-LSDHHAIUSA-N 2 0 261.344 2.014 20 30 CEEDRP C=CCCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001176106166 816349598 /nfs/dbraw/zinc/34/95/98/816349598.db2.gz ZBWICLDCJAOGIV-UHFFFAOYSA-N 2 0 252.402 2.186 20 30 CEEDRP C[NH+](C)CCCO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001206297784 816540830 /nfs/dbraw/zinc/54/08/30/816540830.db2.gz YPCABUYSUURRAB-QGZVFWFLSA-N 2 0 287.407 2.101 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688416 816781634 /nfs/dbraw/zinc/78/16/34/816781634.db2.gz CCDQWYMHAQLFNG-JYJNAYRXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226574 816815818 /nfs/dbraw/zinc/81/58/18/816815818.db2.gz JLPYVACQAWZLOI-AWEZNQCLSA-N 2 0 283.460 2.167 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000042393539 362091528 /nfs/dbraw/zinc/09/15/28/362091528.db2.gz AICMSDXZIAHSRD-UHFFFAOYSA-N 2 0 257.381 2.332 20 30 CEEDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525054 347066264 /nfs/dbraw/zinc/06/62/64/347066264.db2.gz QCEPFMNLCPQKJN-HZPDHXFCSA-N 2 0 293.455 2.407 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]CCC3(C[NH3+])CC3)CC2)cc1 ZINC000593321031 345466740 /nfs/dbraw/zinc/46/67/40/345466740.db2.gz WUKCEMUPRRPMSK-UHFFFAOYSA-N 2 0 298.434 2.246 20 30 CEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000600751392 346684248 /nfs/dbraw/zinc/68/42/48/346684248.db2.gz QZSNDTWIUFJIPT-JKSUJKDBSA-N 2 0 293.455 2.284 20 30 CEEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654469 347125886 /nfs/dbraw/zinc/12/58/86/347125886.db2.gz BVONIFKKQIWWBC-HOTGVXAUSA-N 2 0 293.455 2.405 20 30 CEEDRP C=C(C)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007797 363434315 /nfs/dbraw/zinc/43/43/15/363434315.db2.gz ZXOXZQVWPMTQPM-UHFFFAOYSA-N 2 0 254.418 2.385 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136873099 366528507 /nfs/dbraw/zinc/52/85/07/366528507.db2.gz HUZXEHRHQGUGAF-HOCLYGCPSA-N 2 0 288.439 2.211 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000334979876 364304316 /nfs/dbraw/zinc/30/43/16/364304316.db2.gz JWGSVCMYBPILRS-IRXDYDNUSA-N 2 0 269.392 2.380 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000357593887 370822790 /nfs/dbraw/zinc/82/27/90/370822790.db2.gz XNIBBVNKVHGPFQ-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181675236 368481159 /nfs/dbraw/zinc/48/11/59/368481159.db2.gz SUMWKUUDHAWLHN-WMLDXEAASA-N 2 0 287.407 2.320 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000346669871 368761785 /nfs/dbraw/zinc/76/17/85/368761785.db2.gz JDXYXKXOWJYVOG-UKRRQHHQSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000346690734 368773248 /nfs/dbraw/zinc/77/32/48/368773248.db2.gz UQUBAHPXYQPMSJ-ZFWWWQNUSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000351412174 369634850 /nfs/dbraw/zinc/63/48/50/369634850.db2.gz LPOCJMUKIDBRFS-ZNMIVQPWSA-N 2 0 254.418 2.118 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192839446 369860260 /nfs/dbraw/zinc/86/02/60/369860260.db2.gz NQXIIIPYCQXNMN-ALOPSCKCSA-N 2 0 277.456 2.242 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247490601 371115567 /nfs/dbraw/zinc/11/55/67/371115567.db2.gz ROJBSGSQYHCMLU-CVEARBPZSA-N 2 0 266.429 2.264 20 30 CEEDRP CCNC(NCc1cccc(C[N@H+](C)CC)c1)=[NH+]CC ZINC000264069998 371960713 /nfs/dbraw/zinc/96/07/13/371960713.db2.gz CVCUIXGEAXIHLF-UHFFFAOYSA-N 2 0 276.428 2.213 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000264076267 371962459 /nfs/dbraw/zinc/96/24/59/371962459.db2.gz FRLJDGGNUGSMIF-ZDUSSCGKSA-N 2 0 290.411 2.154 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCCC[N@H+](C)C(C)C)cc1 ZINC000264096530 371968704 /nfs/dbraw/zinc/96/87/04/371968704.db2.gz MTRKVWQPNFCDIR-UHFFFAOYSA-N 2 0 278.400 2.152 20 30 CEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)C1 ZINC000264135340 371977263 /nfs/dbraw/zinc/97/72/63/371977263.db2.gz ZJYHEDYREDGBFT-AWEZNQCLSA-N 2 0 274.412 2.372 20 30 CEEDRP C#CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269845711 372577386 /nfs/dbraw/zinc/57/73/86/372577386.db2.gz FUGUSYRTSCKTGY-QGZVFWFLSA-N 2 0 256.393 2.464 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020100 375354335 /nfs/dbraw/zinc/35/43/35/375354335.db2.gz DSDPURPWPGVSAR-BBRMVZONSA-N 2 0 257.381 2.182 20 30 CEEDRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243071 377162262 /nfs/dbraw/zinc/16/22/62/377162262.db2.gz GDIWBXDEBYCULR-NEPJUHHUSA-N 2 0 261.344 2.348 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000264939009 190146130 /nfs/dbraw/zinc/14/61/30/190146130.db2.gz FLTBRFUHRHGFFO-AWEZNQCLSA-N 2 0 260.381 2.128 20 30 CEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000436291182 377821699 /nfs/dbraw/zinc/82/16/99/377821699.db2.gz JPXBLFRVKRBTOX-GOEBONIOSA-N 2 0 266.429 2.430 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000436303699 377822738 /nfs/dbraw/zinc/82/27/38/377822738.db2.gz CHFBSPITKHSOHE-HOCLYGCPSA-N 2 0 266.429 2.432 20 30 CEEDRP C[N@@H+]1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1(C)C ZINC000449300191 378200409 /nfs/dbraw/zinc/20/04/09/378200409.db2.gz DFAKKWILGRDXGR-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP CC[NH+]1CCC(CCNC(=[NH2+])N2CCC(C)CC2)CC1 ZINC000304344361 379559993 /nfs/dbraw/zinc/55/99/93/379559993.db2.gz UFOLEQLREQMDNR-UHFFFAOYSA-N 2 0 280.460 2.155 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000305065218 379618118 /nfs/dbraw/zinc/61/81/18/379618118.db2.gz HOZQVSATIRBTMW-LSDHHAIUSA-N 2 0 254.418 2.120 20 30 CEEDRP N#CCC[C@@H](C#N)CN1CCC(c2ncc[nH]2)CC1 ZINC000267487272 394680849 /nfs/dbraw/zinc/68/08/49/394680849.db2.gz MEDLXJDUYVXWNJ-LBPRGKRZSA-N 2 0 257.341 2.033 20 30 CEEDRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[NH2+]1 ZINC000423375781 394906669 /nfs/dbraw/zinc/90/66/69/394906669.db2.gz IUUXQSCNQRCMLH-WPGHFRTFSA-N 2 0 255.365 2.276 20 30 CEEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005825 394935995 /nfs/dbraw/zinc/93/59/95/394935995.db2.gz BWQFTFQEENCWSS-PMPSAXMXSA-N 2 0 261.413 2.486 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC000339097238 394942748 /nfs/dbraw/zinc/94/27/48/394942748.db2.gz XDSKYPYBZBHPGY-NXOAAHMSSA-N 2 0 293.455 2.405 20 30 CEEDRP C#Cc1ccc(C[NH2+]CCCn2ccnc2C)cc1 ZINC000289315082 395074742 /nfs/dbraw/zinc/07/47/42/395074742.db2.gz SMWRWIQPQXUXDY-UHFFFAOYSA-N 2 0 253.349 2.353 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000651676846 401370030 /nfs/dbraw/zinc/37/00/30/401370030.db2.gz PRQQADMZTSLODS-IAGOWNOFSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)C1 ZINC000651677040 401370248 /nfs/dbraw/zinc/37/02/48/401370248.db2.gz VSMZOOJMPZCNHD-GJZGRUSLSA-N 2 0 254.418 2.289 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000651794293 401392850 /nfs/dbraw/zinc/39/28/50/401392850.db2.gz PZDUBDUDFZYTCD-JKSUJKDBSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657824650 415095439 /nfs/dbraw/zinc/09/54/39/415095439.db2.gz SDYJZJJTRJSEQM-IAGOWNOFSA-N 2 0 279.472 2.348 20 30 CEEDRP C[NH+]=C(NCc1cccs1)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000158456327 261165005 /nfs/dbraw/zinc/16/50/05/261165005.db2.gz CSAMTBNRYZHZLH-OCCSQVGLSA-N 2 0 294.468 2.142 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288634280 263105214 /nfs/dbraw/zinc/10/52/14/263105214.db2.gz BMUBRGFNHJHSCZ-SNVBAGLBSA-N 2 0 282.338 2.033 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415042251 263257441 /nfs/dbraw/zinc/25/74/41/263257441.db2.gz QOAUFPVDFIHTHO-DZGCQCFKSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415046316 263258072 /nfs/dbraw/zinc/25/80/72/263258072.db2.gz UYEOEYKPTMDXRA-DZGCQCFKSA-N 2 0 290.407 2.477 20 30 CEEDRP C=C(C)COCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000163589303 264357683 /nfs/dbraw/zinc/35/76/83/264357683.db2.gz OYMBSYWJEGATBT-CABCVRRESA-N 2 0 254.418 2.480 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444004380 267058479 /nfs/dbraw/zinc/05/84/79/267058479.db2.gz XNEPGNNGJZIHQN-UHFFFAOYSA-N 2 0 289.423 2.315 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCC#N ZINC000370644250 267334096 /nfs/dbraw/zinc/33/40/96/267334096.db2.gz FKGIOUKJYLVZFX-OWCLPIDISA-N 2 0 279.428 2.159 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000459729336 267336573 /nfs/dbraw/zinc/33/65/73/267336573.db2.gz JBCSHRWRAWOWGV-LBPRGKRZSA-N 2 0 263.410 2.441 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000459722567 267338287 /nfs/dbraw/zinc/33/82/87/267338287.db2.gz BWECXHDRTIRMDA-CQSZACIVSA-N 2 0 257.381 2.380 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]C1CC1)CC2 ZINC000423559140 270925153 /nfs/dbraw/zinc/92/51/53/270925153.db2.gz OIODDPMMNBLZNJ-INIZCTEOSA-N 2 0 255.365 2.277 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCCCC2)cc1 ZINC000264148471 328157856 /nfs/dbraw/zinc/15/78/56/328157856.db2.gz YRAWJNMSSQBRFZ-UHFFFAOYSA-N 2 0 290.411 2.298 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414801742 328231725 /nfs/dbraw/zinc/23/17/25/328231725.db2.gz UQWITRUCOZITHE-HOCLYGCPSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051344 328299057 /nfs/dbraw/zinc/29/90/57/328299057.db2.gz JKFNGSZDHKAIJI-QQFBHYJXSA-N 2 0 265.445 2.147 20 30 CEEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(CC#N)CC1 ZINC000568347215 326993713 /nfs/dbraw/zinc/99/37/13/326993713.db2.gz VZBXJGURGJAWPB-UHFFFAOYSA-N 2 0 281.363 2.359 20 30 CEEDRP C#C[C@H](C)[NH2+]C1CCN(Cc2cccc(F)c2)CC1 ZINC000377700294 329025520 /nfs/dbraw/zinc/02/55/20/329025520.db2.gz MOUPAKRQWVYPBW-ZDUSSCGKSA-N 2 0 260.356 2.401 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000378547067 329054551 /nfs/dbraw/zinc/05/45/51/329054551.db2.gz RPWMHQAHPITRIW-DOTOQJQBSA-N 2 0 289.423 2.084 20 30 CEEDRP C[C@H]1C[NH+]=C(NCC2([NH+]3CCCCC3)CCCCC2)N1 ZINC000262686186 330027190 /nfs/dbraw/zinc/02/71/90/330027190.db2.gz YKMJJWBHCATMDT-AWEZNQCLSA-N 2 0 278.444 2.113 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422981371 330162460 /nfs/dbraw/zinc/16/24/60/330162460.db2.gz SLMWZEFNJIXNFP-GDBMZVCRSA-N 2 0 265.445 2.147 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095694 330169785 /nfs/dbraw/zinc/16/97/85/330169785.db2.gz MZVZKZRFTBQEEB-BARDWOONSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423095886 330169817 /nfs/dbraw/zinc/16/98/17/330169817.db2.gz NJOQFXPOYIWXSI-TUVASFSCSA-N 2 0 252.402 2.075 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423152246 330173211 /nfs/dbraw/zinc/17/32/11/330173211.db2.gz LJQCXJZADNXHKO-FPCVCCKLSA-N 2 0 258.365 2.454 20 30 CEEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CC1 ZINC000120144218 330385797 /nfs/dbraw/zinc/38/57/97/330385797.db2.gz OMKRZGITYGQQBY-KRWDZBQOSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000120985007 330394198 /nfs/dbraw/zinc/39/41/98/330394198.db2.gz MXRDWENLZHRQNC-WBVHZDCISA-N 2 0 279.472 2.204 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000121036590 330395214 /nfs/dbraw/zinc/39/52/14/330395214.db2.gz ZJURXDAWALQXRP-MRXNPFEDSA-N 2 0 266.429 2.025 20 30 CEEDRP N#CCC[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000581809834 336146680 /nfs/dbraw/zinc/14/66/80/336146680.db2.gz SXVMXMXXOYUHNE-UHFFFAOYSA-N 2 0 263.410 2.463 20 30 CEEDRP C#CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000184755235 518288579 /nfs/dbraw/zinc/28/85/79/518288579.db2.gz BSLLDFFILZPGRY-GJZGRUSLSA-N 2 0 256.393 2.366 20 30 CEEDRP C=C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000353563687 527591962 /nfs/dbraw/zinc/59/19/62/527591962.db2.gz GBCCAITUKPVGTN-CSNJMZFVSA-N 2 0 286.419 2.319 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000970172766 613348509 /nfs/dbraw/zinc/34/85/09/613348509.db2.gz UPRZZWUUAVKHPS-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[C@H]1CC[NH+]1CCOCC[N@H+]1CC[C@@H]1CC=C ZINC000934462561 624510277 /nfs/dbraw/zinc/51/02/77/624510277.db2.gz XVBXVHVOKJFGRX-HOTGVXAUSA-N 2 0 264.413 2.304 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000104175754 628686129 /nfs/dbraw/zinc/68/61/29/628686129.db2.gz CIFAHWAGPAVDLD-HNNXBMFYSA-N 2 0 274.412 2.370 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261549024 628937171 /nfs/dbraw/zinc/93/71/71/628937171.db2.gz KDORVWFEDHHYRK-MGPQQGTHSA-N 2 0 254.443 2.416 20 30 CEEDRP C[NH+]1CCN(c2ccc(CN3CCC[C@H](C#N)C3)cc2)CC1 ZINC000896502791 630583662 /nfs/dbraw/zinc/58/36/62/630583662.db2.gz HKHGVUJNYGLPBH-QGZVFWFLSA-N 2 0 298.434 2.174 20 30 CEEDRP C[NH+]1CCN(c2ccc(CN3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000896502790 630583987 /nfs/dbraw/zinc/58/39/87/630583987.db2.gz HKHGVUJNYGLPBH-KRWDZBQOSA-N 2 0 298.434 2.174 20 30 CEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC1CC[NH+](C)CC1 ZINC000104181669 631081278 /nfs/dbraw/zinc/08/12/78/631081278.db2.gz VVNOITBIJQGPQZ-CQSZACIVSA-N 2 0 282.476 2.447 20 30 CEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC000303907626 631093313 /nfs/dbraw/zinc/09/33/13/631093313.db2.gz WZSKRSQQYAQVJX-CABCVRRESA-N 2 0 282.476 2.447 20 30 CEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC000303907628 631093373 /nfs/dbraw/zinc/09/33/73/631093373.db2.gz WZSKRSQQYAQVJX-GJZGRUSLSA-N 2 0 282.476 2.447 20 30 CEEDRP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989079823 631722930 /nfs/dbraw/zinc/72/29/30/631722930.db2.gz YAEJGMXWSOSDSF-TZMCWYRMSA-N 2 0 298.390 2.021 20 30 CEEDRP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000809627547 632115682 /nfs/dbraw/zinc/11/56/82/632115682.db2.gz XMTJDWABABIRPR-RTBURBONSA-N 2 0 298.430 2.135 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000900424673 633715323 /nfs/dbraw/zinc/71/53/23/633715323.db2.gz FJMQSVMOXNQLRZ-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000817916723 633776088 /nfs/dbraw/zinc/77/60/88/633776088.db2.gz AZNXZQCQCKCZFH-IUODEOHRSA-N 2 0 273.380 2.065 20 30 CEEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948790 633794775 /nfs/dbraw/zinc/79/47/75/633794775.db2.gz LEYVETPHFMJKKB-JKSUJKDBSA-N 2 0 257.381 2.360 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000817976144 633818094 /nfs/dbraw/zinc/81/80/94/633818094.db2.gz HJNZBDFKESGOEJ-CZUORRHYSA-N 2 0 285.391 2.382 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000817983407 633826443 /nfs/dbraw/zinc/82/64/43/633826443.db2.gz CIWQBZQATCMREB-AWEZNQCLSA-N 2 0 272.392 2.491 20 30 CEEDRP C=C(C)C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903218548 635020827 /nfs/dbraw/zinc/02/08/27/635020827.db2.gz DFJOVIXZENCBJI-VMIYWNJYSA-N 2 0 264.413 2.061 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000903421401 635123065 /nfs/dbraw/zinc/12/30/65/635123065.db2.gz NVCFPXVNGBAJMJ-AWEZNQCLSA-N 2 0 257.381 2.346 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792931 635263371 /nfs/dbraw/zinc/26/33/71/635263371.db2.gz KAKIUBRBRTZMCE-QGZVFWFLSA-N 2 0 288.435 2.306 20 30 CEEDRP C#Cc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000834902214 637982788 /nfs/dbraw/zinc/98/27/88/637982788.db2.gz FNJBNFHMZMKYNF-CQSZACIVSA-N 2 0 256.393 2.488 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000876741465 650415494 /nfs/dbraw/zinc/41/54/94/650415494.db2.gz RSXGEOFPAFZFTH-CQSZACIVSA-N 2 0 295.814 2.051 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000876914200 650483462 /nfs/dbraw/zinc/48/34/62/650483462.db2.gz CAVDZMGKMINILA-KGLIPLIRSA-N 2 0 295.814 2.053 20 30 CEEDRP CC(C)C[C@@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170910305 639684839 /nfs/dbraw/zinc/68/48/39/639684839.db2.gz DFEJKQVDGYHWNN-AWEZNQCLSA-N 2 0 289.427 2.319 20 30 CEEDRP CCCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000843377442 640410228 /nfs/dbraw/zinc/41/02/28/640410228.db2.gz WGMBHHLTTOUFOP-HNNXBMFYSA-N 2 0 283.460 2.276 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCCN1C ZINC000921593277 642249433 /nfs/dbraw/zinc/24/94/33/642249433.db2.gz PFXVXRCFUWIYBI-OAHLLOKOSA-N 2 0 257.381 2.359 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2csc(C#N)c2)C1 ZINC000922181499 642940221 /nfs/dbraw/zinc/94/02/21/642940221.db2.gz SGRVDBNTVGLDOU-GFCCVEGCSA-N 2 0 263.410 2.441 20 30 CEEDRP C#CCOCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000851865076 643197897 /nfs/dbraw/zinc/19/78/97/643197897.db2.gz QEURBWGQVNLVRN-UHFFFAOYSA-N 2 0 278.440 2.224 20 30 CEEDRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC000839182274 644181568 /nfs/dbraw/zinc/18/15/68/644181568.db2.gz MEUQEBDWQBYISM-AWEZNQCLSA-N 2 0 287.407 2.388 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000764504879 645650404 /nfs/dbraw/zinc/65/04/04/645650404.db2.gz FYJSESVKTGDFDI-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1C#N ZINC000863540996 646751124 /nfs/dbraw/zinc/75/11/24/646751124.db2.gz FNFJMBFCIGEFCK-UHFFFAOYSA-N 2 0 269.392 2.442 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865417265 647284436 /nfs/dbraw/zinc/28/44/36/647284436.db2.gz DWMVDLKTYLACJP-OAHLLOKOSA-N 2 0 286.423 2.056 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC[NH+](C)CC1 ZINC000866616082 647843253 /nfs/dbraw/zinc/84/32/53/647843253.db2.gz VPFNONHEWNDPFJ-FZKQIMNGSA-N 2 0 283.419 2.345 20 30 CEEDRP C=CCCCCC[C@H](C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000793552697 648775462 /nfs/dbraw/zinc/77/54/62/648775462.db2.gz KTXKBINYBCEFGQ-LSDHHAIUSA-N 2 0 254.418 2.168 20 30 CEEDRP COc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)ccc1C#N ZINC000873220645 649595455 /nfs/dbraw/zinc/59/54/55/649595455.db2.gz QERSLJJYNAXJGB-GFCCVEGCSA-N 2 0 273.380 2.045 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255967 649612386 /nfs/dbraw/zinc/61/23/86/649612386.db2.gz KFUURQPBJPTBHY-NOLJZWGESA-N 2 0 255.365 2.263 20 30 CEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001271020576 805717898 /nfs/dbraw/zinc/71/78/98/805717898.db2.gz ACFMZGXMEPZUBX-HOTGVXAUSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001271261633 805904522 /nfs/dbraw/zinc/90/45/22/805904522.db2.gz OTDXDKYKEAASQB-HZPDHXFCSA-N 2 0 295.471 2.166 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001271861058 806120579 /nfs/dbraw/zinc/12/05/79/806120579.db2.gz LNKPUHZAXUGBTQ-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266547288 802701715 /nfs/dbraw/zinc/70/17/15/802701715.db2.gz ODWJEBUIHNWNOM-HRCADAONSA-N 2 0 295.471 2.118 20 30 CEEDRP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266564879 802721471 /nfs/dbraw/zinc/72/14/71/802721471.db2.gz DVKMGWGZUMRTCJ-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266807409 802911335 /nfs/dbraw/zinc/91/13/35/802911335.db2.gz KMBAETFXQKITDB-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCCCCC[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222085505 803799270 /nfs/dbraw/zinc/79/92/70/803799270.db2.gz AJFMKNCRCBPCHN-UHFFFAOYSA-N 2 0 265.445 2.150 20 30 CEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267898163 803809474 /nfs/dbraw/zinc/80/94/74/803809474.db2.gz RTWUWULAPXIPNV-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001268055900 804351168 /nfs/dbraw/zinc/35/11/68/804351168.db2.gz PZQHYTYZBGBNSO-HNNXBMFYSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH+](C)CCC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001268201540 804537142 /nfs/dbraw/zinc/53/71/42/804537142.db2.gz RBOILVPDHUKSAB-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001269138617 805060953 /nfs/dbraw/zinc/06/09/53/805060953.db2.gz TWVCHYYZYRSVPP-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001269416467 805159686 /nfs/dbraw/zinc/15/96/86/805159686.db2.gz URGZBVSGJLJMIR-UHFFFAOYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001270458515 805442109 /nfs/dbraw/zinc/44/21/09/805442109.db2.gz QHEBIAVLHPJLMM-MRXNPFEDSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896775 807267694 /nfs/dbraw/zinc/26/76/94/807267694.db2.gz BUENQANXEJOLHI-OAGGEKHMSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034703596 809669751 /nfs/dbraw/zinc/66/97/51/809669751.db2.gz CZHNFLLGHXOQMR-SHTZXODSSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015033105 810255744 /nfs/dbraw/zinc/25/57/44/810255744.db2.gz NPAYSWOEFCAJAS-AWEZNQCLSA-N 2 0 298.390 2.023 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016340736 810425402 /nfs/dbraw/zinc/42/54/02/810425402.db2.gz ZKLLRLRFEYCRHY-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H]1COC(C)(C)C1 ZINC001172279177 815373578 /nfs/dbraw/zinc/37/35/78/815373578.db2.gz FZXCZJQVSIUHRQ-OAHLLOKOSA-N 2 0 275.396 2.221 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC001085274872 810712054 /nfs/dbraw/zinc/71/20/54/810712054.db2.gz CTWFTXQGHFGKNB-HZPDHXFCSA-N 2 0 298.390 2.151 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461366 810843856 /nfs/dbraw/zinc/84/38/56/810843856.db2.gz FGAYPBFENMWQOU-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C2 ZINC001169107668 811400850 /nfs/dbraw/zinc/40/08/50/811400850.db2.gz JMOJVMYXCPTSSJ-MUJYYYPQSA-N 2 0 285.391 2.152 20 30 CEEDRP CC[NH+]1CCC([NH+]=C(C)NCc2cccc(C[NH3+])c2)CC1 ZINC001169244410 811460548 /nfs/dbraw/zinc/46/05/48/811460548.db2.gz NGOGSIOGXRSYTP-UHFFFAOYSA-N 3 0 288.439 2.138 20 30 CEEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001172488708 815450895 /nfs/dbraw/zinc/45/08/95/815450895.db2.gz VTXPUXXJQYQPPB-OAHLLOKOSA-N 2 0 286.423 2.500 20 30 CEEDRP C[C@H](CCCC#N)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001172493926 815453531 /nfs/dbraw/zinc/45/35/31/815453531.db2.gz PNDQTBCHHSGUAY-CQSZACIVSA-N 2 0 258.369 2.286 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCc1ncc[nH]1 ZINC001170471797 812525996 /nfs/dbraw/zinc/52/59/96/812525996.db2.gz GCPCTXZSTFRGDK-AWEZNQCLSA-N 2 0 292.427 2.183 20 30 CEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410656 812842929 /nfs/dbraw/zinc/84/29/29/812842929.db2.gz MSPIGGKATYGJLL-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133685118 813136599 /nfs/dbraw/zinc/13/65/99/813136599.db2.gz QIYZOKVGLKFIMQ-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691714 813504849 /nfs/dbraw/zinc/50/48/49/813504849.db2.gz YWPYZSOSNOROAJ-CVEARBPZSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@]([NH3+])(CC)CO)cc1 ZINC001170866829 813563573 /nfs/dbraw/zinc/56/35/73/813563573.db2.gz ZTMBZLUUAKFLIR-DLBZAZTESA-N 2 0 289.423 2.479 20 30 CEEDRP C#Cc1ccc(C[N@@H+](CCOC)C2CCN(C)CC2)cc1 ZINC001144573927 814120047 /nfs/dbraw/zinc/12/00/47/814120047.db2.gz UGJOAPJSDJCHEA-UHFFFAOYSA-N 2 0 286.419 2.211 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900462 814511843 /nfs/dbraw/zinc/51/18/43/814511843.db2.gz NZPGJCKMWAZNBO-HNNXBMFYSA-N 2 0 283.460 2.004 20 30 CEEDRP C=CCOC1CCC(N(CC[NH3+])CC[NH+](CC)CC)CC1 ZINC001173314717 815688907 /nfs/dbraw/zinc/68/89/07/815688907.db2.gz UTGWVJOVXIJANY-UHFFFAOYSA-N 2 0 297.487 2.103 20 30 CEEDRP CC[N@@H+]1CC[C@@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001173358562 815699553 /nfs/dbraw/zinc/69/95/53/815699553.db2.gz KITNJUWQJDUUPW-CYBMUJFWSA-N 2 0 268.364 2.034 20 30 CEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231396 816371132 /nfs/dbraw/zinc/37/11/32/816371132.db2.gz VHGUORGDQQUAHN-MRXNPFEDSA-N 2 0 295.471 2.006 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534693 816870153 /nfs/dbraw/zinc/87/01/53/816870153.db2.gz RSJXLRLWLDFTMP-JYJNAYRXSA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000602544083 347071937 /nfs/dbraw/zinc/07/19/37/347071937.db2.gz JAPUDAJSYVUQMX-AWEZNQCLSA-N 2 0 279.428 2.017 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000591582635 345266862 /nfs/dbraw/zinc/26/68/62/345266862.db2.gz QFNMPPVXEDVJNV-KRWDZBQOSA-N 2 0 298.434 2.259 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246892352 539462922 /nfs/dbraw/zinc/46/29/22/539462922.db2.gz RHZMTVQGTUDUQU-SJORKVTESA-N 2 0 277.456 2.243 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594956617 345715981 /nfs/dbraw/zinc/71/59/81/345715981.db2.gz XGCZGDXJTUSLIL-IAGOWNOFSA-N 2 0 269.392 2.317 20 30 CEEDRP C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595893517 345908235 /nfs/dbraw/zinc/90/82/35/345908235.db2.gz RXLJFEJPDNJOPO-CZUORRHYSA-N 2 0 257.381 2.017 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598596891 346381041 /nfs/dbraw/zinc/38/10/41/346381041.db2.gz USPJGNDQXYRQTO-SOUVJXGZSA-N 2 0 281.444 2.092 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598716174 346406391 /nfs/dbraw/zinc/40/63/91/346406391.db2.gz ZCUBOCSSUSCRKN-CVEARBPZSA-N 2 0 295.471 2.389 20 30 CEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000598715368 346406621 /nfs/dbraw/zinc/40/66/21/346406621.db2.gz PIFDGEKGTGFRFZ-MRXNPFEDSA-N 2 0 289.423 2.139 20 30 CEEDRP C[NH+](C)CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(C)(C)C ZINC000598718953 346407072 /nfs/dbraw/zinc/40/70/72/346407072.db2.gz HVNJAWNODGHORG-KGLIPLIRSA-N 2 0 283.460 2.243 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000602846477 347222952 /nfs/dbraw/zinc/22/29/52/347222952.db2.gz QKPRZQILFANQCE-UHFFFAOYSA-N 2 0 293.374 2.061 20 30 CEEDRP COc1ccc(C#N)cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000130431635 365955538 /nfs/dbraw/zinc/95/55/38/365955538.db2.gz BQJFKRZFNCPIHF-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000271770270 191316636 /nfs/dbraw/zinc/31/66/36/191316636.db2.gz BNJRWGFDGACWNK-UHFFFAOYSA-N 2 0 259.328 2.049 20 30 CEEDRP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C3CC3)C2)cc1C#N ZINC000151066597 366616482 /nfs/dbraw/zinc/61/64/82/366616482.db2.gz XYWBKCYTJHMNPK-WFASDCNBSA-N 2 0 285.391 2.282 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNCc2ccc(C#N)s2)C1 ZINC000176954097 368256616 /nfs/dbraw/zinc/25/66/16/368256616.db2.gz NBOCMLTVKBQBKI-GFCCVEGCSA-N 2 0 263.410 2.441 20 30 CEEDRP C=CCOc1ccccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346691870 368772868 /nfs/dbraw/zinc/77/28/68/368772868.db2.gz XUBVFSMHFZVADB-UHFFFAOYSA-N 2 0 260.381 2.422 20 30 CEEDRP CCCN(Cc1ccc(C#N)c(OC)c1)[C@@H]1CC[NH2+]C1 ZINC000233074648 370516968 /nfs/dbraw/zinc/51/69/68/370516968.db2.gz YGEFMXVBAOPFNF-OAHLLOKOSA-N 2 0 273.380 2.141 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NCCCC[NH+](C)C)c1 ZINC000264063436 371959601 /nfs/dbraw/zinc/95/96/01/371959601.db2.gz AEQTURVLYDQHJY-UHFFFAOYSA-N 2 0 262.401 2.372 20 30 CEEDRP COc1ccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000264069214 371961605 /nfs/dbraw/zinc/96/16/05/371961605.db2.gz CRSFFSNMRRBAHD-CYBMUJFWSA-N 2 0 290.411 2.154 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264090607 371967723 /nfs/dbraw/zinc/96/77/23/371967723.db2.gz KVQYHWCLDKHGRS-CQSZACIVSA-N 2 0 288.439 2.138 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2C)cc1C ZINC000264131964 371975695 /nfs/dbraw/zinc/97/56/95/371975695.db2.gz YFNAOFOQTXSWOQ-AWEZNQCLSA-N 2 0 260.385 2.124 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000361692550 372027003 /nfs/dbraw/zinc/02/70/03/372027003.db2.gz LYHHSAPFPGKEDT-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000269439106 372449450 /nfs/dbraw/zinc/44/94/50/372449450.db2.gz RXGLDSDAPYRSCR-OAHLLOKOSA-N 2 0 293.386 2.144 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000684773800 542065318 /nfs/dbraw/zinc/06/53/18/542065318.db2.gz ILSYPDIPTFPZFO-KBMXLJTQSA-N 2 0 266.429 2.288 20 30 CEEDRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000414777528 375963401 /nfs/dbraw/zinc/96/34/01/375963401.db2.gz XXXCKCSJCDCOLA-KRWDZBQOSA-N 2 0 299.418 2.388 20 30 CEEDRP CN(Cc1ccc(C#N)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289797764 376504302 /nfs/dbraw/zinc/50/43/02/376504302.db2.gz SIBBNASBLLZOMW-FUNVUKJBSA-N 2 0 259.353 2.208 20 30 CEEDRP C=CCCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435690195 377808581 /nfs/dbraw/zinc/80/85/81/377808581.db2.gz BWHYMQDRNIFICA-OAHLLOKOSA-N 2 0 288.439 2.330 20 30 CEEDRP C(#CC[N@@H+]1CC[C@@H](C2CC2)C1)C[NH+]1CC[C@H](C2CC2)C1 ZINC000556499292 380908311 /nfs/dbraw/zinc/90/83/11/380908311.db2.gz DNIMQLXJKKSFSO-HDICACEKSA-N 2 0 272.436 2.454 20 30 CEEDRP C[C@H](C(=O)N[C@@H]1CCc2nc[nH]c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328916685 394555972 /nfs/dbraw/zinc/55/59/72/394555972.db2.gz APEBJQPDALROOJ-YVECIDJPSA-N 2 0 290.411 2.485 20 30 CEEDRP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000414822131 394752298 /nfs/dbraw/zinc/75/22/98/394752298.db2.gz MPROVPUMVSKRSN-WFASDCNBSA-N 2 0 273.380 2.045 20 30 CEEDRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000275057347 394805252 /nfs/dbraw/zinc/80/52/52/394805252.db2.gz XUHQJHQCHQRPRT-CJNGLKHVSA-N 2 0 257.381 2.330 20 30 CEEDRP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362031684 394842819 /nfs/dbraw/zinc/84/28/19/394842819.db2.gz DFEGNIGSOIHIAG-GVDBMIGSSA-N 2 0 278.440 2.269 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)C1 ZINC000362236448 394849964 /nfs/dbraw/zinc/84/99/64/394849964.db2.gz FQWXFVMUZRJOGV-HHARLNAUSA-N 2 0 291.439 2.158 20 30 CEEDRP CC(C)[C@H]([NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423283261 394889314 /nfs/dbraw/zinc/88/93/14/394889314.db2.gz WTTBSRUGSXAHBH-QGZVFWFLSA-N 2 0 286.423 2.100 20 30 CEEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498951 394946630 /nfs/dbraw/zinc/94/66/30/394946630.db2.gz VHKRATWYXUMZAV-KRWDZBQOSA-N 2 0 291.439 2.115 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCC(C)(C)C#N ZINC000374421771 395081836 /nfs/dbraw/zinc/08/18/36/395081836.db2.gz PLGOLLANCHKGLF-BZUAXINKSA-N 2 0 293.455 2.500 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000651674424 401369684 /nfs/dbraw/zinc/36/96/84/401369684.db2.gz OTCZWYXDWIOSEN-CVEARBPZSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCCn1cc(C[NH2+]CC2CC[NH+](CCC)CC2)nn1 ZINC000657347317 414873326 /nfs/dbraw/zinc/87/33/26/414873326.db2.gz QHMXJQHEKNUUOE-UHFFFAOYSA-N 2 0 291.443 2.066 20 30 CEEDRP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154134 415663405 /nfs/dbraw/zinc/66/34/05/415663405.db2.gz WOABWIDMWRYUFO-GOEBONIOSA-N 2 0 266.429 2.262 20 30 CEEDRP C=CCOc1cccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000666943480 419484168 /nfs/dbraw/zinc/48/41/68/419484168.db2.gz LXLMTAPTAHGMAM-KBPBESRZSA-N 2 0 264.344 2.041 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950804 419488847 /nfs/dbraw/zinc/48/88/47/419488847.db2.gz JBWKQQHVMCLMOD-INIZCTEOSA-N 2 0 272.392 2.483 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(C)(C)CCC#N ZINC000374253228 260251841 /nfs/dbraw/zinc/25/18/41/260251841.db2.gz GIVBZVFQMXNPSI-PMPSAXMXSA-N 2 0 293.455 2.500 20 30 CEEDRP C[N@H+](CCCCC(C)(C)C#N)CCCN1CC[NH+](C)CC1 ZINC000336845494 262398878 /nfs/dbraw/zinc/39/88/78/262398878.db2.gz TWHLAQQTRLOJNT-UHFFFAOYSA-N 2 0 294.487 2.276 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000264145840 262880328 /nfs/dbraw/zinc/88/03/28/262880328.db2.gz XRRWFFVTLPHOBU-MRXNPFEDSA-N 2 0 286.423 2.304 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H](CC[NH+](C)C)OCC)cc1 ZINC000290413548 263116451 /nfs/dbraw/zinc/11/64/51/263116451.db2.gz QGVGBMVAFIXNGP-QGZVFWFLSA-N 2 0 274.408 2.114 20 30 CEEDRP C[NH+]=C(NCC1(C)CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000121487516 263296032 /nfs/dbraw/zinc/29/60/32/263296032.db2.gz NXQXPSANZOHQOF-HNNXBMFYSA-N 2 0 290.455 2.088 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761855 263390325 /nfs/dbraw/zinc/39/03/25/263390325.db2.gz VXQBCXUBQLJULI-BZUAXINKSA-N 2 0 291.439 2.159 20 30 CEEDRP C=CCCCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000514581044 266004338 /nfs/dbraw/zinc/00/43/38/266004338.db2.gz KKMLZDUCWDICJW-QGZVFWFLSA-N 2 0 279.472 2.443 20 30 CEEDRP C#CCOc1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000044516070 327266434 /nfs/dbraw/zinc/26/64/34/327266434.db2.gz BOXJWAZWPZIKKI-UHFFFAOYSA-N 2 0 272.392 2.130 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1OC ZINC000572363941 330004665 /nfs/dbraw/zinc/00/46/65/330004665.db2.gz MKUMBFKUKALKRG-CHWSQXEVSA-N 2 0 278.396 2.475 20 30 CEEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCC2(C1)CCCCC2 ZINC000262422194 330009275 /nfs/dbraw/zinc/00/92/75/330009275.db2.gz BKZHTPKKFQJTBC-OAHLLOKOSA-N 2 0 292.471 2.170 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262460720 330014575 /nfs/dbraw/zinc/01/45/75/330014575.db2.gz MIECECPCAPTGMT-JYJNAYRXSA-N 2 0 292.471 2.168 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262811242 330033160 /nfs/dbraw/zinc/03/31/60/330033160.db2.gz OFGHUDNDKWYIGZ-CQSZACIVSA-N 2 0 280.460 2.486 20 30 CEEDRP CC[NH+]=C(NCC[N@@H+]1CCCC[C@@H]1C)NC(C)(C)C ZINC000263236872 330050069 /nfs/dbraw/zinc/05/00/69/330050069.db2.gz JYLCYYOOGSXYCC-ZDUSSCGKSA-N 2 0 268.449 2.214 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000424369924 330348229 /nfs/dbraw/zinc/34/82/29/330348229.db2.gz DCSPCPOFBZUIKG-JONQDZQNSA-N 2 0 266.429 2.478 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000424389299 330349944 /nfs/dbraw/zinc/34/99/44/330349944.db2.gz ZZZPIIWQXJDBQC-GCSSGZNBSA-N 2 0 264.413 2.088 20 30 CEEDRP C=CCC[C@H](CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186602655 333163546 /nfs/dbraw/zinc/16/35/46/333163546.db2.gz DDDKZBNMXKGFTI-CVEARBPZSA-N 2 0 267.461 2.347 20 30 CEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174349833 335153364 /nfs/dbraw/zinc/15/33/64/335153364.db2.gz VRXAEQSWPDOVSF-MRXNPFEDSA-N 2 0 294.487 2.180 20 30 CEEDRP CC(C)[C@H](C[NH2+]CC(C)(C)CCC#N)N1CC[NH+](C)CC1 ZINC000135144582 334117600 /nfs/dbraw/zinc/11/76/00/334117600.db2.gz QBGANTNLVWSYOT-INIZCTEOSA-N 2 0 294.487 2.178 20 30 CEEDRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)ccc1C#N ZINC000415007206 533884131 /nfs/dbraw/zinc/88/41/31/533884131.db2.gz RALXCPQPORWDNH-SWLSCSKDSA-N 2 0 273.380 2.174 20 30 CEEDRP C#CC[NH+](CCCCC[N@@H+](CC#C)C1CC1)C1CC1 ZINC000491710060 574510970 /nfs/dbraw/zinc/51/09/70/574510970.db2.gz RTUHLAQAXTVHJY-UHFFFAOYSA-N 2 0 258.409 2.352 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040447 613266310 /nfs/dbraw/zinc/26/63/10/613266310.db2.gz QAAIGQJSXDNOLY-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780316 613490511 /nfs/dbraw/zinc/49/05/11/613490511.db2.gz CQALQSXUIJCILV-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(C)C ZINC000187849790 628279625 /nfs/dbraw/zinc/27/96/25/628279625.db2.gz QMCIUUXUZRJIGK-CYBMUJFWSA-N 2 0 268.449 2.057 20 30 CEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000104172193 628680495 /nfs/dbraw/zinc/68/04/95/628680495.db2.gz WFFXYQSVXVGSEJ-ZIAGYGMSSA-N 2 0 268.449 2.057 20 30 CEEDRP CSc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1C#N ZINC000925773333 628783638 /nfs/dbraw/zinc/78/36/38/628783638.db2.gz MPMGKSSJNPPXGT-WCQYABFASA-N 2 0 275.421 2.368 20 30 CEEDRP C=CCC[C@@H]([NH2+][C@H]1CNCC2(CCOCC2)C1)C1CC1 ZINC000925800140 628846930 /nfs/dbraw/zinc/84/69/30/628846930.db2.gz XIASJOMNKYNIBP-HZPDHXFCSA-N 2 0 278.440 2.480 20 30 CEEDRP CCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303723854 631089946 /nfs/dbraw/zinc/08/99/46/631089946.db2.gz ZFOPCXWIHFGRMS-UHFFFAOYSA-N 2 0 280.460 2.490 20 30 CEEDRP C=CCOc1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421342 635632926 /nfs/dbraw/zinc/63/29/26/635632926.db2.gz YWZVFBGYTCIXPE-GOEBONIOSA-N 2 0 272.392 2.293 20 30 CEEDRP C#Cc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000809547006 632096949 /nfs/dbraw/zinc/09/69/49/632096949.db2.gz IVKTUOGCJDFBSQ-KRWDZBQOSA-N 2 0 256.393 2.442 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000900378828 633692467 /nfs/dbraw/zinc/69/24/67/633692467.db2.gz BQAAJQZIYJECLF-UHFFFAOYSA-N 2 0 295.471 2.073 20 30 CEEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000819134761 634079151 /nfs/dbraw/zinc/07/91/51/634079151.db2.gz MTWXSEKSSHLJOC-BBWFWOEESA-N 2 0 287.407 2.054 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734578 635250199 /nfs/dbraw/zinc/25/01/99/635250199.db2.gz SAKBRTMTGCEWHM-HZPDHXFCSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000911682434 638353911 /nfs/dbraw/zinc/35/39/11/638353911.db2.gz NBPONMYQHPUKII-OAHLLOKOSA-N 2 0 275.396 2.418 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911848772 638444101 /nfs/dbraw/zinc/44/41/01/638444101.db2.gz WXTNHNKLCBJOEY-FZMZJTMJSA-N 2 0 261.369 2.328 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911857185 638445660 /nfs/dbraw/zinc/44/56/60/638445660.db2.gz UKBPUCDQJGHKDT-WFASDCNBSA-N 2 0 275.396 2.006 20 30 CEEDRP CC(C)[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505350 638712306 /nfs/dbraw/zinc/71/23/06/638712306.db2.gz CFKRQLSSCQAOGR-HNNXBMFYSA-N 2 0 294.487 2.460 20 30 CEEDRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(OCC#N)cc1 ZINC000844922204 640867524 /nfs/dbraw/zinc/86/75/24/640867524.db2.gz MBFWXAVSXMIMMN-ZDUSSCGKSA-N 2 0 273.380 2.369 20 30 CEEDRP C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000848924456 642196618 /nfs/dbraw/zinc/19/66/18/642196618.db2.gz SRDIIOWABAOOBB-KRWDZBQOSA-N 2 0 297.446 2.284 20 30 CEEDRP C=CC[N@H+](C[C@@H]1CC2(C[NH2+]C2)CO1)CC1CCCCC1 ZINC000923312300 643653204 /nfs/dbraw/zinc/65/32/04/643653204.db2.gz DLZBJWIKKORAFY-INIZCTEOSA-N 2 0 278.440 2.433 20 30 CEEDRP CC[C@@H](C)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790183671 644382629 /nfs/dbraw/zinc/38/26/29/644382629.db2.gz UQWQASGBCCDLMK-CQSZACIVSA-N 2 0 274.412 2.160 20 30 CEEDRP C#CCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584599 644695234 /nfs/dbraw/zinc/69/52/34/644695234.db2.gz NEUVTTPAJYGNQM-QGZVFWFLSA-N 2 0 287.407 2.010 20 30 CEEDRP C#CCCCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000878191177 651031455 /nfs/dbraw/zinc/03/14/55/651031455.db2.gz NRRFWOJESFQGIA-UHFFFAOYSA-N 2 0 257.381 2.397 20 30 CEEDRP C#CC[C@H](CCOC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000862547319 646493806 /nfs/dbraw/zinc/49/38/06/646493806.db2.gz AXVXOMFTBHMUNA-CQSZACIVSA-N 2 0 266.429 2.267 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000873215972 649593255 /nfs/dbraw/zinc/59/32/55/649593255.db2.gz HPESKKYDWFKTPQ-DOTOQJQBSA-N 2 0 298.434 2.387 20 30 CEEDRP C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000873238631 649605675 /nfs/dbraw/zinc/60/56/75/649605675.db2.gz CWMNHALTTZBREE-YOEHRIQHSA-N 2 0 298.434 2.257 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000873279996 649623348 /nfs/dbraw/zinc/62/33/48/649623348.db2.gz OCKRGLVFPOZSPP-MGPQQGTHSA-N 2 0 254.418 2.321 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327306 806119264 /nfs/dbraw/zinc/11/92/64/806119264.db2.gz KDDIBBZZYHYFMT-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001266400235 802530275 /nfs/dbraw/zinc/53/02/75/802530275.db2.gz DONNJXUAXZLGTA-MRXNPFEDSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001266551983 802708558 /nfs/dbraw/zinc/70/85/58/802708558.db2.gz HHWQISIZPDTDOT-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266948736 803016553 /nfs/dbraw/zinc/01/65/53/803016553.db2.gz KPMVYYLLJTZDFC-CQSZACIVSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001267318062 803361955 /nfs/dbraw/zinc/36/19/55/803361955.db2.gz RCOZAZGWSHOQBU-MRXNPFEDSA-N 2 0 295.471 2.264 20 30 CEEDRP CCCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267754991 803711063 /nfs/dbraw/zinc/71/10/63/803711063.db2.gz WRPBPAGQZFQMNN-MRXNPFEDSA-N 2 0 295.471 2.243 20 30 CEEDRP C=CCC[NH2+]C[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268008760 803920904 /nfs/dbraw/zinc/92/09/04/803920904.db2.gz LIAJDTKNJTWYKI-HNNXBMFYSA-N 2 0 295.471 2.025 20 30 CEEDRP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215463290 804678911 /nfs/dbraw/zinc/67/89/11/804678911.db2.gz QAXGXHDLJQNBEL-HZPDHXFCSA-N 2 0 297.487 2.345 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001269182964 805072652 /nfs/dbraw/zinc/07/26/52/805072652.db2.gz RCUOTOFUVPRLBX-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168653184 808848226 /nfs/dbraw/zinc/84/82/26/808848226.db2.gz MCOZTICUKUCNFA-OAHLLOKOSA-N 2 0 283.460 2.025 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168653622 808849812 /nfs/dbraw/zinc/84/98/12/808849812.db2.gz YEHXGUQGNYHYKA-HNNXBMFYSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292467 809572015 /nfs/dbraw/zinc/57/20/15/809572015.db2.gz RLPXJIPYCQHWHW-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001273166740 810077580 /nfs/dbraw/zinc/07/75/80/810077580.db2.gz UAVFTLCHVWFIJH-HNNXBMFYSA-N 2 0 293.455 2.064 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168763527 810134502 /nfs/dbraw/zinc/13/45/02/810134502.db2.gz PDQCBFCSWBRUMT-UHFFFAOYSA-N 2 0 285.476 2.395 20 30 CEEDRP C[C@@H](CCCC#N)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172485441 815435894 /nfs/dbraw/zinc/43/58/94/815435894.db2.gz QIJAYBNGWOKSMI-QWHCGFSZSA-N 2 0 298.431 2.248 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052712364 812450409 /nfs/dbraw/zinc/45/04/09/812450409.db2.gz HLXAJLJQAZVVSE-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441437 812856015 /nfs/dbraw/zinc/85/60/15/812856015.db2.gz OWWHZEJZDTWBKG-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772902 813322543 /nfs/dbraw/zinc/32/25/43/813322543.db2.gz IYWFVKNPIPLTLY-KGLIPLIRSA-N 2 0 283.460 2.166 20 30 CEEDRP C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691715 813504924 /nfs/dbraw/zinc/50/49/24/813504924.db2.gz YWPYZSOSNOROAJ-HOTGVXAUSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099315913 813999285 /nfs/dbraw/zinc/99/92/85/813999285.db2.gz JLCUWCMGVPYIEO-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001171192960 814085608 /nfs/dbraw/zinc/08/56/08/814085608.db2.gz RCTDGOWEMJHYBT-RCBQFDQVSA-N 2 0 257.381 2.349 20 30 CEEDRP CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644772 814242355 /nfs/dbraw/zinc/24/23/55/814242355.db2.gz JBXHAECTNQCQES-OAGGEKHMSA-N 2 0 268.445 2.249 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147360017 814428860 /nfs/dbraw/zinc/42/88/60/814428860.db2.gz ZJQYBKGNKSWXNG-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)CC)CCCCC1 ZINC001115601850 814726955 /nfs/dbraw/zinc/72/69/55/814726955.db2.gz VMQOWHIZBDWDJK-UHFFFAOYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCOC1CCC([NH+]2C[C@@H]3C[NH+](CC)C[C@H]3C2)CC1 ZINC001173326340 815675962 /nfs/dbraw/zinc/67/59/62/815675962.db2.gz ZACLOHZQZZPHDP-JUVOFCAFSA-N 2 0 278.440 2.384 20 30 CEEDRP CC[NH+]1C[C@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173340738 815684217 /nfs/dbraw/zinc/68/42/17/815684217.db2.gz KCIKXSVNZIIRBL-PYBGIAKNSA-N 2 0 261.413 2.342 20 30 CEEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](C3COC3)CC2)CC1 ZINC001173593284 815755904 /nfs/dbraw/zinc/75/59/04/815755904.db2.gz LXNIAHZXPKPDDT-UHFFFAOYSA-N 2 0 291.439 2.159 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176258851 816382968 /nfs/dbraw/zinc/38/29/68/816382968.db2.gz WKBNANMYMRJJMG-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001179212824 816840023 /nfs/dbraw/zinc/84/00/23/816840023.db2.gz YGDCCFPDUXIRRA-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649376 361917734 /nfs/dbraw/zinc/91/77/34/361917734.db2.gz TWMSXEBVMUOPTP-HNNXBMFYSA-N 2 0 255.365 2.132 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000153052074 539219383 /nfs/dbraw/zinc/21/93/83/539219383.db2.gz MHBKKGFPEJJEBZ-OAHLLOKOSA-N 2 0 279.472 2.347 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080836595 344026719 /nfs/dbraw/zinc/02/67/19/344026719.db2.gz IFQWOZJSHWPFQB-MRXNPFEDSA-N 2 0 286.423 2.131 20 30 CEEDRP C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000595056047 345736251 /nfs/dbraw/zinc/73/62/51/345736251.db2.gz PUCDJODSOULWBE-CQSZACIVSA-N 2 0 271.408 2.421 20 30 CEEDRP C[C@@H]1C[C@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595891118 345907811 /nfs/dbraw/zinc/90/78/11/345907811.db2.gz ALTMNOVBUFPBQG-KEYYUXOJSA-N 2 0 271.408 2.406 20 30 CEEDRP C[C@]1(C#N)CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000595905229 345911030 /nfs/dbraw/zinc/91/10/30/345911030.db2.gz QUZGKNAZCQZBMT-MRXNPFEDSA-N 2 0 255.365 2.068 20 30 CEEDRP CC[NH+](CC)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602588945 347090757 /nfs/dbraw/zinc/09/07/57/347090757.db2.gz VWBMVOKPNCPBMH-OAHLLOKOSA-N 2 0 281.444 2.407 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596884 346381304 /nfs/dbraw/zinc/38/13/04/346381304.db2.gz USPJGNDQXYRQTO-QLFBSQMISA-N 2 0 281.444 2.092 20 30 CEEDRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598598844 346381428 /nfs/dbraw/zinc/38/14/28/346381428.db2.gz DUVXNAVUFZRECS-MRXNPFEDSA-N 2 0 295.471 2.341 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000598684308 346400430 /nfs/dbraw/zinc/40/04/30/346400430.db2.gz VOVZKVNHTVCVOH-RCCFBDPRSA-N 2 0 299.418 2.419 20 30 CEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598699645 346403285 /nfs/dbraw/zinc/40/32/85/346403285.db2.gz HFRCMRSJYISLJP-OAGGEKHMSA-N 2 0 295.471 2.245 20 30 CEEDRP CC(C)(C#N)C[C@@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000598729023 346410802 /nfs/dbraw/zinc/41/08/02/346410802.db2.gz YJSDUSRXEAIVJU-OAHLLOKOSA-N 2 0 281.444 2.143 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000602687110 347147480 /nfs/dbraw/zinc/14/74/80/347147480.db2.gz ILARXYQSRAJLLQ-CVEARBPZSA-N 2 0 293.455 2.407 20 30 CEEDRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000602876136 347234677 /nfs/dbraw/zinc/23/46/77/347234677.db2.gz FCLIYRHQGHVZCE-MRXNPFEDSA-N 2 0 281.444 2.095 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994690 347730169 /nfs/dbraw/zinc/73/01/69/347730169.db2.gz IWOZIIGPTAMQEG-XJKSGUPXSA-N 2 0 272.396 2.115 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994668 347730349 /nfs/dbraw/zinc/73/03/49/347730349.db2.gz MDUWZSGJFLTJET-CZUORRHYSA-N 2 0 272.396 2.258 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407836 350010925 /nfs/dbraw/zinc/01/09/25/350010925.db2.gz ZAOGTCXTBYLWEC-OAHLLOKOSA-N 3 0 265.445 2.099 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623554158 350049021 /nfs/dbraw/zinc/04/90/21/350049021.db2.gz TXTRTWTWCCAEBD-IHRRRGAJSA-N 2 0 252.402 2.040 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666853978 540023717 /nfs/dbraw/zinc/02/37/17/540023717.db2.gz YVMOJFVXLJDZGT-HNNXBMFYSA-N 2 0 260.381 2.483 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc(OC)c1O ZINC000414925520 540247747 /nfs/dbraw/zinc/24/77/47/540247747.db2.gz LXNDOSXKDDJKRC-LSDHHAIUSA-N 2 0 290.407 2.489 20 30 CEEDRP CC(C)(CCC#N)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134143352 366291485 /nfs/dbraw/zinc/29/14/85/366291485.db2.gz NBJYFJDLHIUUOT-UHFFFAOYSA-N 2 0 293.455 2.361 20 30 CEEDRP N#CCSCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000080629318 363675249 /nfs/dbraw/zinc/67/52/49/363675249.db2.gz GYEAKZCNANLECX-OAHLLOKOSA-N 2 0 281.469 2.441 20 30 CEEDRP N#CCSCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000080629313 363675427 /nfs/dbraw/zinc/67/54/27/363675427.db2.gz GYEAKZCNANLECX-HNNXBMFYSA-N 2 0 281.469 2.441 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002439 367127608 /nfs/dbraw/zinc/12/76/08/367127608.db2.gz ZYRGBOTXCFUYGE-XJKSGUPXSA-N 2 0 272.396 2.258 20 30 CEEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCCC#N ZINC000344076378 368105455 /nfs/dbraw/zinc/10/54/55/368105455.db2.gz UFAOKRFBUFGEJB-UHFFFAOYSA-N 2 0 269.352 2.359 20 30 CEEDRP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181675217 368481221 /nfs/dbraw/zinc/48/12/21/368481221.db2.gz SUMWKUUDHAWLHN-PBHICJAKSA-N 2 0 287.407 2.320 20 30 CEEDRP C#CC[NH2+]C1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184755216 368718987 /nfs/dbraw/zinc/71/89/87/368718987.db2.gz BSLLDFFILZPGRY-FKEKPDDDSA-N 2 0 256.393 2.366 20 30 CEEDRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246852779 371021365 /nfs/dbraw/zinc/02/13/65/371021365.db2.gz CEZNZLNMMZYBEC-YPMHNXCESA-N 2 0 280.441 2.007 20 30 CEEDRP CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000264073831 371963333 /nfs/dbraw/zinc/96/33/33/371963333.db2.gz GQSYCCIJNLBCAQ-AWEZNQCLSA-N 2 0 288.439 2.343 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1C#N ZINC000397295193 375340274 /nfs/dbraw/zinc/34/02/74/375340274.db2.gz ZIVLOJUVIAXTSG-XEZPLFJOSA-N 2 0 287.407 2.372 20 30 CEEDRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C#N)cc1F ZINC000423243077 377162546 /nfs/dbraw/zinc/16/25/46/377162546.db2.gz GDIWBXDEBYCULR-VXGBXAGGSA-N 2 0 261.344 2.348 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000333423666 377765007 /nfs/dbraw/zinc/76/50/07/377765007.db2.gz JPKKBPNLIQNGRY-HIFRSBDPSA-N 2 0 270.380 2.332 20 30 CEEDRP C=CCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441270113 377934258 /nfs/dbraw/zinc/93/42/58/377934258.db2.gz NTKQJVTYIAHXNG-SOUVJXGZSA-N 2 0 252.402 2.136 20 30 CEEDRP C=CCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441270111 377934305 /nfs/dbraw/zinc/93/43/05/377934305.db2.gz NTKQJVTYIAHXNG-RRFJBIMHSA-N 2 0 252.402 2.136 20 30 CEEDRP C[NH+]=C(NCc1cccs1)NC1CC[NH+](C(C)C)CC1 ZINC000114089029 394749625 /nfs/dbraw/zinc/74/96/25/394749625.db2.gz PDQGQSJAADCWHS-UHFFFAOYSA-N 2 0 294.468 2.286 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423377652 394907409 /nfs/dbraw/zinc/90/74/09/394907409.db2.gz VXLSBCXWVABRMR-IJEWVQPXSA-N 2 0 255.365 2.405 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000152941308 394999910 /nfs/dbraw/zinc/99/99/10/394999910.db2.gz QVZFJJFBOKZKIL-ZBFHGGJFSA-N 3 0 265.445 2.099 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000153556251 395010382 /nfs/dbraw/zinc/01/03/82/395010382.db2.gz HZUBFDREHRWKQM-KRWDZBQOSA-N 2 0 286.423 2.131 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840965 395109601 /nfs/dbraw/zinc/10/96/01/395109601.db2.gz GXYAFTHUMYGKIB-IMJJTQAJSA-N 2 0 272.392 2.421 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149555 395179725 /nfs/dbraw/zinc/17/97/25/395179725.db2.gz WFSXVYZBWBSFMB-JKIFEVAISA-N 2 0 287.407 2.407 20 30 CEEDRP C=C(C)CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351843780 395238397 /nfs/dbraw/zinc/23/83/97/395238397.db2.gz HTIOCAFZKGCOSJ-CALCHBBNSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000442869514 395397695 /nfs/dbraw/zinc/39/76/95/395397695.db2.gz DMNHYLDCIPHNOH-MRXNPFEDSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000568107496 395549268 /nfs/dbraw/zinc/54/92/68/395549268.db2.gz OTGQUEPLZFIWQQ-OWCLPIDISA-N 2 0 266.429 2.480 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000657846386 415101688 /nfs/dbraw/zinc/10/16/88/415101688.db2.gz NUMHURNLFZPQOC-OWCLPIDISA-N 2 0 266.429 2.168 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657886191 415114947 /nfs/dbraw/zinc/11/49/47/415114947.db2.gz ILEMKQUPNNQBBT-CABCVRRESA-N 2 0 266.429 2.168 20 30 CEEDRP C=CC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)COC ZINC000662299414 415761972 /nfs/dbraw/zinc/76/19/72/415761972.db2.gz PHJANLTZALTPPW-GOEBONIOSA-N 2 0 292.423 2.260 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666950805 419487113 /nfs/dbraw/zinc/48/71/13/419487113.db2.gz JBWKQQHVMCLMOD-MRXNPFEDSA-N 2 0 272.392 2.483 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364339998 262209277 /nfs/dbraw/zinc/20/92/77/262209277.db2.gz FNIAQTUGVIVSAZ-RBSFLKMASA-N 2 0 252.402 2.042 20 30 CEEDRP C[C@@H](CCNC(=[NH2+])N(C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000273353535 263015953 /nfs/dbraw/zinc/01/59/53/263015953.db2.gz QXOQQDAEOMLBBW-AWEZNQCLSA-N 2 0 288.439 2.306 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414937131 263143572 /nfs/dbraw/zinc/14/35/72/263143572.db2.gz HNFJTHPYLQKQKM-UHFFFAOYSA-N 2 0 290.407 2.492 20 30 CEEDRP CN(CC#CCN(C)Cc1ccoc1)Cc1ccoc1 ZINC000341830436 263353790 /nfs/dbraw/zinc/35/37/90/263353790.db2.gz GKWSXJXOYASGPW-UHFFFAOYSA-N 2 0 272.348 2.440 20 30 CEEDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000397386746 267088456 /nfs/dbraw/zinc/08/84/56/267088456.db2.gz MFLXBQCLICQERJ-WWGRRREGSA-N 2 0 257.381 2.363 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000150999395 280085929 /nfs/dbraw/zinc/08/59/29/280085929.db2.gz OBGKQIJKRIGJPI-INIZCTEOSA-N 2 0 275.396 2.005 20 30 CEEDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154532346 289148277 /nfs/dbraw/zinc/14/82/77/289148277.db2.gz WCXUNJMREGMWLO-HNNXBMFYSA-N 2 0 287.407 2.340 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414801744 328231775 /nfs/dbraw/zinc/23/17/75/328231775.db2.gz UQWITRUCOZITHE-ZBFHGGJFSA-N 2 0 260.381 2.468 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185808044 329329664 /nfs/dbraw/zinc/32/96/64/329329664.db2.gz ITVZAMWGWBMNNX-GDBMZVCRSA-N 2 0 279.428 2.159 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423105656 330170501 /nfs/dbraw/zinc/17/05/01/330170501.db2.gz ZDYLOSVHFBVXNF-IFIJOSMWSA-N 2 0 289.423 2.481 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386438 330199576 /nfs/dbraw/zinc/19/95/76/330199576.db2.gz LFTLCPQGLDBQJJ-AVGNSLFASA-N 2 0 293.377 2.013 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000424299906 330336839 /nfs/dbraw/zinc/33/68/39/330336839.db2.gz TYCCHXKGSJDYPX-ZFWWWQNUSA-N 2 0 252.402 2.040 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000424375273 330348384 /nfs/dbraw/zinc/34/83/84/330348384.db2.gz KDEZCKZZEBXLQM-LLLHUVSDSA-N 2 0 274.408 2.126 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291025 331166624 /nfs/dbraw/zinc/16/66/24/331166624.db2.gz MZPNEPMIMQKWGV-INIZCTEOSA-N 2 0 288.439 2.069 20 30 CEEDRP C#C[C@H](CC)NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000491801661 332355830 /nfs/dbraw/zinc/35/58/30/332355830.db2.gz DDTJKLYSRBWGQE-MRXNPFEDSA-N 2 0 298.434 2.177 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000521993956 333229521 /nfs/dbraw/zinc/22/95/21/333229521.db2.gz QTHWFUCJPGNASQ-FFSVYQOJSA-N 2 0 275.396 2.090 20 30 CEEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530207214 333528084 /nfs/dbraw/zinc/52/80/84/333528084.db2.gz CHQQUWVHUNGVHV-SOUVJXGZSA-N 2 0 266.429 2.335 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000728712094 574468814 /nfs/dbraw/zinc/46/88/14/574468814.db2.gz ZOMWLAXYTRMEOS-HIFRSBDPSA-N 2 0 273.380 2.161 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1OC ZINC000729682551 574490812 /nfs/dbraw/zinc/49/08/12/574490812.db2.gz UOSIPYBWWLPFNE-AWEZNQCLSA-N 2 0 276.380 2.054 20 30 CEEDRP C#CCCCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000878670742 651159774 /nfs/dbraw/zinc/15/97/74/651159774.db2.gz PZZZXYVJVPCGTR-UHFFFAOYSA-N 2 0 280.456 2.253 20 30 CEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981197826 613862586 /nfs/dbraw/zinc/86/25/86/613862586.db2.gz CLBLQMWHJTYKOH-CABCVRRESA-N 2 0 298.390 2.151 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001022803754 624620588 /nfs/dbraw/zinc/62/05/88/624620588.db2.gz BELKOQPLPQIHGK-OAGGEKHMSA-N 2 0 293.455 2.064 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000157398731 624975684 /nfs/dbraw/zinc/97/56/84/624975684.db2.gz UMQNHZXVFIDLGY-HNNXBMFYSA-N 2 0 280.460 2.155 20 30 CEEDRP CCCCCCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000311398050 627651272 /nfs/dbraw/zinc/65/12/72/627651272.db2.gz ABURGBBPGKCUTH-INIZCTEOSA-N 2 0 267.461 2.326 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1cccc2[nH]ccc21 ZINC000328011182 627743541 /nfs/dbraw/zinc/74/35/41/627743541.db2.gz QANBMPBJTTWXCX-UHFFFAOYSA-N 2 0 255.365 2.213 20 30 CEEDRP C=CC[NH+]1CCC(N[C@@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925549027 628193757 /nfs/dbraw/zinc/19/37/57/628193757.db2.gz JYGJCJYIZJHPCJ-WMLDXEAASA-N 2 0 273.424 2.315 20 30 CEEDRP C=C1CCC(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925834189 628929680 /nfs/dbraw/zinc/92/96/80/628929680.db2.gz GKZGLTAYIQVWSA-IXDOHACOSA-N 2 0 278.440 2.480 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC000925881221 628980873 /nfs/dbraw/zinc/98/08/73/628980873.db2.gz ZUSMSGPDGCSECC-JGGQBBKZSA-N 2 0 255.365 2.263 20 30 CEEDRP CC[C@]1(C)CCN(C(NCC[NH2+]C(C)(C)C)=[NH+]C)C1 ZINC000261859513 629285417 /nfs/dbraw/zinc/28/54/17/629285417.db2.gz ZCJQVXOSKLTKGZ-OAHLLOKOSA-N 2 0 268.449 2.072 20 30 CEEDRP CC(C)[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000104166799 631079984 /nfs/dbraw/zinc/07/99/84/631079984.db2.gz JCBRVFQRLZIWQW-AWEZNQCLSA-N 2 0 282.476 2.446 20 30 CEEDRP CC(C)NC(=[NH2+])NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303888324 631092873 /nfs/dbraw/zinc/09/28/73/631092873.db2.gz OWJFSYLETAUULW-BETUJISGSA-N 2 0 268.449 2.056 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986462092 631244323 /nfs/dbraw/zinc/24/43/23/631244323.db2.gz HXTMRFOXKARBDO-CZUORRHYSA-N 2 0 298.390 2.021 20 30 CEEDRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902813598 634848229 /nfs/dbraw/zinc/84/82/29/634848229.db2.gz DRKSWZQQLHAORY-INIZCTEOSA-N 2 0 287.407 2.056 20 30 CEEDRP COc1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1C#N ZINC000817915976 633775048 /nfs/dbraw/zinc/77/50/48/633775048.db2.gz SQWHLFZHCYRMGP-LBPRGKRZSA-N 2 0 261.369 2.174 20 30 CEEDRP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817944001 633791339 /nfs/dbraw/zinc/79/13/39/633791339.db2.gz VKBRGFIDWWBFJX-ZDUSSCGKSA-N 2 0 261.369 2.239 20 30 CEEDRP C=CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903185299 635002142 /nfs/dbraw/zinc/00/21/42/635002142.db2.gz CXESRAJWZAYBLG-WPXLMEDKSA-N 2 0 264.413 2.061 20 30 CEEDRP C[C@H]1C[C@@H](C[N@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469186 635647186 /nfs/dbraw/zinc/64/71/86/635647186.db2.gz JHZKGZIGAZNKKE-RYUDHWBXSA-N 2 0 263.410 2.440 20 30 CEEDRP C[NH+]1CCC2(CCC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000877497592 650751366 /nfs/dbraw/zinc/75/13/66/650751366.db2.gz UMMVVLSXTRWJGI-UHFFFAOYSA-N 2 0 284.407 2.261 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142573 642461462 /nfs/dbraw/zinc/46/14/62/642461462.db2.gz BHBYHLQAUQHGAR-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1csc(C#N)c1 ZINC000921828178 642701945 /nfs/dbraw/zinc/70/19/45/642701945.db2.gz SQQLIBRCJFCGME-CYBMUJFWSA-N 2 0 281.425 2.066 20 30 CEEDRP Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1C#N ZINC000923447952 643715120 /nfs/dbraw/zinc/71/51/20/643715120.db2.gz YFSPWFLKGAXEEI-KRWDZBQOSA-N 2 0 299.418 2.197 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000873218021 649593812 /nfs/dbraw/zinc/59/38/12/649593812.db2.gz XDUVZSVFCFYFTR-UHFFFAOYSA-N 2 0 298.434 2.387 20 30 CEEDRP C=CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994225 805598725 /nfs/dbraw/zinc/59/87/25/805598725.db2.gz ZNOPPEKNZMHAKQ-JWTNVVGKSA-N 2 0 289.467 2.195 20 30 CEEDRP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001271551509 805991477 /nfs/dbraw/zinc/99/14/77/805991477.db2.gz LHLFNWNUHXCBEZ-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271665442 806015847 /nfs/dbraw/zinc/01/58/47/806015847.db2.gz LCAFOKKRQAYMAA-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345551 806666891 /nfs/dbraw/zinc/66/68/91/806666891.db2.gz QCJZBKGLORZOJI-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167261203 802613948 /nfs/dbraw/zinc/61/39/48/802613948.db2.gz ZDYBTAPYXLOUGP-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181475 813379369 /nfs/dbraw/zinc/37/93/69/813379369.db2.gz PZEJVXSKUHXREG-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[N@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001267253954 803297947 /nfs/dbraw/zinc/29/79/47/803297947.db2.gz XHASCDZCMLJQFD-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP CCCCCCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100638696 803374903 /nfs/dbraw/zinc/37/49/03/803374903.db2.gz YVNHCVURYUDSEZ-UHFFFAOYSA-N 2 0 297.487 2.393 20 30 CEEDRP C=CCC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001267507122 803516792 /nfs/dbraw/zinc/51/67/92/803516792.db2.gz FQAAGOBYNGCBPS-UHFFFAOYSA-N 2 0 295.471 2.121 20 30 CEEDRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC001118060067 814981145 /nfs/dbraw/zinc/98/11/45/814981145.db2.gz VLEXIPZMGKMWBX-QWHCGFSZSA-N 2 0 261.369 2.095 20 30 CEEDRP C=CCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001167812581 804357873 /nfs/dbraw/zinc/35/78/73/804357873.db2.gz QDBUIAGBJLNZOZ-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001268122786 804463790 /nfs/dbraw/zinc/46/37/90/804463790.db2.gz JBLUVFZAQAMOGX-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028335519 804718504 /nfs/dbraw/zinc/71/85/04/804718504.db2.gz WRICOSVCOHHHAX-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001269034155 805029780 /nfs/dbraw/zinc/02/97/80/805029780.db2.gz RGESWPMUVPMPBR-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001269454322 805168833 /nfs/dbraw/zinc/16/88/33/805168833.db2.gz LRZCXKVNRJACGF-HRCADAONSA-N 2 0 295.471 2.167 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001122296999 807641477 /nfs/dbraw/zinc/64/14/77/807641477.db2.gz WFPSMUOLWPFEPO-HUUCEWRRSA-N 2 0 283.460 2.262 20 30 CEEDRP C[C@H]1C[N@H+](CCCc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC001205131135 807736693 /nfs/dbraw/zinc/73/66/93/807736693.db2.gz RABMSLQULKZKBN-XJKSGUPXSA-N 2 0 257.381 2.017 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171546572 815187937 /nfs/dbraw/zinc/18/79/37/815187937.db2.gz LIYDCMJKFUWVMW-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127706624 808260898 /nfs/dbraw/zinc/26/08/98/808260898.db2.gz PERJALLNWOKTCA-JKSUJKDBSA-N 2 0 297.487 2.393 20 30 CEEDRP CN(CCC[NH+](C)C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911811 808561321 /nfs/dbraw/zinc/56/13/21/808561321.db2.gz KPZHSVCBIKCQKJ-UHFFFAOYSA-N 2 0 270.380 2.423 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468042 810713858 /nfs/dbraw/zinc/71/38/58/810713858.db2.gz DXOIRAKYKQFMMN-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001039282063 811004653 /nfs/dbraw/zinc/00/46/53/811004653.db2.gz IGBFZMLOMXLCOF-WTXIUTQJSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248825 812811083 /nfs/dbraw/zinc/81/10/83/812811083.db2.gz JHSPHEADZBRJFU-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441435 812855958 /nfs/dbraw/zinc/85/59/58/812855958.db2.gz OWWHZEJZDTWBKG-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@H]1C ZINC001132517420 812872145 /nfs/dbraw/zinc/87/21/45/812872145.db2.gz CCAVAFSADUEDDX-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135702262 813507269 /nfs/dbraw/zinc/50/72/69/813507269.db2.gz DOLLZVUNTNCRKL-UHFFFAOYSA-N 2 0 297.487 2.395 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C[NH2+]C(C)(C)C)C(C)C ZINC001136649731 813733008 /nfs/dbraw/zinc/73/30/08/813733008.db2.gz CGBYYHWWRALZNE-OAHLLOKOSA-N 2 0 295.471 2.189 20 30 CEEDRP C=CCOC1CCC([NH2+][C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001246477235 813860841 /nfs/dbraw/zinc/86/08/41/813860841.db2.gz HNACHAZSHQFUPV-CVSAEHQPSA-N 2 0 252.402 2.360 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171174742 814054247 /nfs/dbraw/zinc/05/42/47/814054247.db2.gz OYCPFDQARXNUFZ-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598776 814726107 /nfs/dbraw/zinc/72/61/07/814726107.db2.gz YIDSQSCOKWZKFH-HNNXBMFYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCOC1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC001173311147 815663658 /nfs/dbraw/zinc/66/36/58/815663658.db2.gz GPKBPKZGPPBJBC-FGZQJIAISA-N 2 0 252.402 2.360 20 30 CEEDRP C#CCOc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001138559170 815827316 /nfs/dbraw/zinc/82/73/16/815827316.db2.gz FVGJBLLCYIKYBY-SJORKVTESA-N 2 0 284.403 2.082 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255809 816163662 /nfs/dbraw/zinc/16/36/62/816163662.db2.gz HIGGFUCUWCIQDF-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176056297 816343385 /nfs/dbraw/zinc/34/33/85/816343385.db2.gz FPLXQRXBBRJLOX-HNNXBMFYSA-N 2 0 283.460 2.004 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178688846 816781924 /nfs/dbraw/zinc/78/19/24/816781924.db2.gz QCWTUTUIOGRRGV-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP CNC(NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)=[NH+]C ZINC000057887173 343640294 /nfs/dbraw/zinc/64/02/94/343640294.db2.gz IVEWYRKMGSJCPG-CQSZACIVSA-N 2 0 288.439 2.213 20 30 CEEDRP N#Cc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000596650967 346071622 /nfs/dbraw/zinc/07/16/22/346071622.db2.gz MOXGHCQUGFCKSW-UHFFFAOYSA-N 2 0 257.381 2.208 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000596651890 346072377 /nfs/dbraw/zinc/07/23/77/346072377.db2.gz RLUUPQOAVJJDQF-RBSFLKMASA-N 2 0 284.469 2.042 20 30 CEEDRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]2C1 ZINC000597116140 346130176 /nfs/dbraw/zinc/13/01/76/346130176.db2.gz FIGPJTDMDWCENC-IYBDPMFKSA-N 2 0 281.403 2.235 20 30 CEEDRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CC(C)(C)C#N ZINC000598595513 346380481 /nfs/dbraw/zinc/38/04/81/346380481.db2.gz OUYUAISOMOBMRC-HUUCEWRRSA-N 2 0 281.444 2.093 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724130 346408607 /nfs/dbraw/zinc/40/86/07/346408607.db2.gz IPTOIKMCKINVBZ-JKSUJKDBSA-N 2 0 295.471 2.245 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994666 347729967 /nfs/dbraw/zinc/72/99/67/347729967.db2.gz MDUWZSGJFLTJET-BBRMVZONSA-N 2 0 272.396 2.258 20 30 CEEDRP C=CCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCCC1 ZINC000629579217 351420869 /nfs/dbraw/zinc/42/08/69/351420869.db2.gz CBMZJOXLNJSNBW-HNNXBMFYSA-N 2 0 266.429 2.169 20 30 CEEDRP CN(C)C(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000170912125 367446054 /nfs/dbraw/zinc/44/60/54/367446054.db2.gz RCYVDACBFFDPRM-UHFFFAOYSA-N 2 0 288.439 2.439 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000343572301 367890948 /nfs/dbraw/zinc/89/09/48/367890948.db2.gz MRHXJBNFIDSSQQ-IAGOWNOFSA-N 2 0 269.392 2.317 20 30 CEEDRP C=C(CC)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343707969 367965262 /nfs/dbraw/zinc/96/52/62/367965262.db2.gz CAZFZIDMMCRUQY-OAHLLOKOSA-N 2 0 265.445 2.053 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345323336 368235186 /nfs/dbraw/zinc/23/51/86/368235186.db2.gz SHZAAPUTUBGRKL-GASCZTMLSA-N 2 0 293.455 2.016 20 30 CEEDRP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181675206 368481961 /nfs/dbraw/zinc/48/19/61/368481961.db2.gz SUMWKUUDHAWLHN-YOEHRIQHSA-N 2 0 287.407 2.320 20 30 CEEDRP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181675078 368482285 /nfs/dbraw/zinc/48/22/85/368482285.db2.gz GZYBBELSWOIRAX-WMLDXEAASA-N 2 0 287.407 2.320 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000346669869 368761567 /nfs/dbraw/zinc/76/15/67/368761567.db2.gz JDXYXKXOWJYVOG-HIFRSBDPSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(OC)c1O ZINC000634998777 369032300 /nfs/dbraw/zinc/03/23/00/369032300.db2.gz KZJQPUNTELQSCU-IUODEOHRSA-N 2 0 290.407 2.156 20 30 CEEDRP CCc1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)s1 ZINC000264069104 371960612 /nfs/dbraw/zinc/96/06/12/371960612.db2.gz CPOGNDMSVMUASZ-GFCCVEGCSA-N 2 0 294.468 2.199 20 30 CEEDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000353523637 220136354 /nfs/dbraw/zinc/13/63/54/220136354.db2.gz YBGCCIUTCLNDGQ-UHFFFAOYSA-N 2 0 293.436 2.162 20 30 CEEDRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1C#N ZINC000414777533 375963147 /nfs/dbraw/zinc/96/31/47/375963147.db2.gz XXXCKCSJCDCOLA-QGZVFWFLSA-N 2 0 299.418 2.388 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](CC)CC2)CC1 ZINC000360168151 394791371 /nfs/dbraw/zinc/79/13/71/394791371.db2.gz BSCYTYBWVPVWAO-UHFFFAOYSA-N 2 0 265.445 2.101 20 30 CEEDRP C=CCOCC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000339059421 394939102 /nfs/dbraw/zinc/93/91/02/394939102.db2.gz DBEUFSLVNRDUMA-UHFFFAOYSA-N 2 0 254.418 2.243 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000152941422 394999453 /nfs/dbraw/zinc/99/94/53/394999453.db2.gz QVZFJJFBOKZKIL-HOCLYGCPSA-N 3 0 265.445 2.099 20 30 CEEDRP C#Cc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000289911264 395090636 /nfs/dbraw/zinc/09/06/36/395090636.db2.gz XYJKYGZMCPXMMK-LJQANCHMSA-N 2 0 298.430 2.212 20 30 CEEDRP C#Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000290487857 395105364 /nfs/dbraw/zinc/10/53/64/395105364.db2.gz VTPQMEYPNFPTND-IRXDYDNUSA-N 2 0 254.377 2.194 20 30 CEEDRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442709867 395392095 /nfs/dbraw/zinc/39/20/95/395392095.db2.gz OUHHVGTURNWVNB-ZBFHGGJFSA-N 2 0 287.407 2.409 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239130 395455260 /nfs/dbraw/zinc/45/52/60/395455260.db2.gz DCBRDGVMNRYAMC-GOSISDBHSA-N 2 0 299.418 2.149 20 30 CEEDRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000459799691 395666736 /nfs/dbraw/zinc/66/67/36/395666736.db2.gz YWIHCZSBDBRDRS-AWEZNQCLSA-N 2 0 287.407 2.388 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000565043539 298871928 /nfs/dbraw/zinc/87/19/28/298871928.db2.gz FZESGNVRJZJIMQ-ZWKOTPCHSA-N 2 0 299.418 2.277 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657846384 415103792 /nfs/dbraw/zinc/10/37/92/415103792.db2.gz NUMHURNLFZPQOC-BZUAXINKSA-N 2 0 266.429 2.168 20 30 CEEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000657987708 415147663 /nfs/dbraw/zinc/14/76/63/415147663.db2.gz SYSCHQCHTMNQET-GJZGRUSLSA-N 2 0 254.418 2.289 20 30 CEEDRP C=CC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662299914 415760884 /nfs/dbraw/zinc/76/08/84/415760884.db2.gz ZLCPOHAALZGLMM-SQNIBIBYSA-N 2 0 288.435 2.205 20 30 CEEDRP CCCNC(=[NH2+])NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910608 260934172 /nfs/dbraw/zinc/93/41/72/260934172.db2.gz UYGCYEQFJCJSDW-UHFFFAOYSA-N 2 0 288.439 2.213 20 30 CEEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000173902372 261173404 /nfs/dbraw/zinc/17/34/04/261173404.db2.gz BRSMTYOVYQLOGX-AWEZNQCLSA-N 2 0 269.458 2.297 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000414829279 263056228 /nfs/dbraw/zinc/05/62/28/263056228.db2.gz KOJPDBJDZJXCSK-HNNXBMFYSA-N 2 0 260.381 2.341 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000414840901 263057590 /nfs/dbraw/zinc/05/75/90/263057590.db2.gz YPLFOAUQODAVKH-OAHLLOKOSA-N 2 0 260.381 2.341 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCCN2CC=CCC2)c1 ZINC000280017561 263058630 /nfs/dbraw/zinc/05/86/30/263058630.db2.gz OKAPULNAOYVLIJ-UHFFFAOYSA-N 2 0 272.396 2.238 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H](C)CCC[NH3+])cc(OC)c1O ZINC000415023294 263256370 /nfs/dbraw/zinc/25/63/70/263256370.db2.gz MRBSJOPABHPHLO-LBPRGKRZSA-N 2 0 278.396 2.346 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761857 263390332 /nfs/dbraw/zinc/39/03/32/263390332.db2.gz VXQBCXUBQLJULI-OAGGEKHMSA-N 2 0 291.439 2.159 20 30 CEEDRP CC[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000447527243 267193693 /nfs/dbraw/zinc/19/36/93/267193693.db2.gz DIVAJKCHZXOOMI-IAGOWNOFSA-N 2 0 287.407 2.056 20 30 CEEDRP N#Cc1ccc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000530234413 268211238 /nfs/dbraw/zinc/21/12/38/268211238.db2.gz PBWSDCHQUBZBPK-INIZCTEOSA-N 2 0 299.418 2.153 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000332384417 274923508 /nfs/dbraw/zinc/92/35/08/274923508.db2.gz IOGMFKVCVWAPFD-DOTOQJQBSA-N 2 0 298.434 2.387 20 30 CEEDRP CC(C)(C#N)CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000174844183 329163888 /nfs/dbraw/zinc/16/38/88/329163888.db2.gz GULUVSLPZPRILS-UHFFFAOYSA-N 2 0 293.455 2.361 20 30 CEEDRP C=C(C)CN1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422980211 330162561 /nfs/dbraw/zinc/16/25/61/330162561.db2.gz OVINGMQVFAQZSI-UHFFFAOYSA-N 2 0 265.445 2.134 20 30 CEEDRP C=CCC(C)(C)C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423129590 330171536 /nfs/dbraw/zinc/17/15/36/330171536.db2.gz FNKAIYLDTQBSEJ-AWEZNQCLSA-N 2 0 296.455 2.500 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423409626 330197108 /nfs/dbraw/zinc/19/71/08/330197108.db2.gz QPGSBQPFPQFXCL-KGLIPLIRSA-N 2 0 254.418 2.193 20 30 CEEDRP CC(C)[NH+]1CCN(CCCN(CC#N)C2CCCC2)CC1 ZINC000192744258 333238859 /nfs/dbraw/zinc/23/88/59/333238859.db2.gz SYGOIECYYYRAKK-UHFFFAOYSA-N 2 0 292.471 2.171 20 30 CEEDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000577741264 335395095 /nfs/dbraw/zinc/39/50/95/335395095.db2.gz CKFHWMIDYZKRBK-OAHLLOKOSA-N 2 0 262.401 2.142 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000970172768 613348808 /nfs/dbraw/zinc/34/88/08/613348808.db2.gz UPRZZWUUAVKHPS-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981228909 613862359 /nfs/dbraw/zinc/86/23/59/613862359.db2.gz PRJLZRPYJRVEST-CABCVRRESA-N 2 0 298.390 2.151 20 30 CEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436229 625554724 /nfs/dbraw/zinc/55/47/24/625554724.db2.gz AJFARSRIEDJJTI-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCCCC1 ZINC000933265282 623570289 /nfs/dbraw/zinc/57/02/89/623570289.db2.gz DLWCACKCWDJDDO-HNNXBMFYSA-N 2 0 266.429 2.003 20 30 CEEDRP CCc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000104153964 624319133 /nfs/dbraw/zinc/31/91/33/624319133.db2.gz PWGNPHDVQNFFLN-OAHLLOKOSA-N 2 0 274.412 2.460 20 30 CEEDRP Cc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000104174449 624320244 /nfs/dbraw/zinc/32/02/44/624320244.db2.gz HFOADUQSYCOPAN-AWEZNQCLSA-N 2 0 274.412 2.454 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001026610133 628374014 /nfs/dbraw/zinc/37/40/14/628374014.db2.gz DYHDHTSJKACYSF-UYSNPLJNSA-N 2 0 293.455 2.064 20 30 CEEDRP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925783643 628818260 /nfs/dbraw/zinc/81/82/60/628818260.db2.gz FYESCNUYTMNWFF-UHOFOFEASA-N 2 0 257.381 2.454 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000894102952 629130255 /nfs/dbraw/zinc/13/02/55/629130255.db2.gz QRGVMGLZIXVQPW-KRWDZBQOSA-N 2 0 269.392 2.477 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@@](C)(CC)C1 ZINC000261740469 629174016 /nfs/dbraw/zinc/17/40/16/629174016.db2.gz KPEFKZTVZMSFGZ-GOEBONIOSA-N 2 0 280.460 2.026 20 30 CEEDRP CCCCCCNC(=[NH2+])NCC[N@H+](CC)C(C)C ZINC000303983596 631096621 /nfs/dbraw/zinc/09/66/21/631096621.db2.gz RFVNLXVDJYMWRQ-UHFFFAOYSA-N 2 0 256.438 2.201 20 30 CEEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305039734 631105348 /nfs/dbraw/zinc/10/53/48/631105348.db2.gz CJENAZNFXDQKCG-HNNXBMFYSA-N 2 0 280.460 2.298 20 30 CEEDRP C=CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1ccncc1 ZINC000817893676 633755743 /nfs/dbraw/zinc/75/57/43/633755743.db2.gz GLPYOWJKWSYXLB-HUUCEWRRSA-N 2 0 263.385 2.042 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000817916068 633774730 /nfs/dbraw/zinc/77/47/30/633774730.db2.gz ULOJAFHOYARJBZ-DZGCQCFKSA-N 2 0 273.380 2.174 20 30 CEEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000817932160 633785343 /nfs/dbraw/zinc/78/53/43/633785343.db2.gz RPHWLUNTYUIJKD-SOUVJXGZSA-N 2 0 254.418 2.465 20 30 CEEDRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817946494 633793627 /nfs/dbraw/zinc/79/36/27/633793627.db2.gz YEQPVSHHHCFFDD-KGLIPLIRSA-N 2 0 273.380 2.239 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000817972382 633815796 /nfs/dbraw/zinc/81/57/96/633815796.db2.gz WMRPUMUMOHXMHM-WWGRRREGSA-N 2 0 273.380 2.238 20 30 CEEDRP N#Cc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000903823175 635291564 /nfs/dbraw/zinc/29/15/64/635291564.db2.gz CEKKDUKUIMNCJT-SFHVURJKSA-N 2 0 299.418 2.321 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623998 638337320 /nfs/dbraw/zinc/33/73/20/638337320.db2.gz PGIVDFFPVDPAJT-ZIAGYGMSSA-N 2 0 269.433 2.014 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157363313 639482654 /nfs/dbraw/zinc/48/26/54/639482654.db2.gz UYRLPKHGPYZABB-KGLIPLIRSA-N 2 0 268.449 2.057 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993669356 640666037 /nfs/dbraw/zinc/66/60/37/640666037.db2.gz AQFQJOSYGKXRCH-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP CCON=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000915957884 640708412 /nfs/dbraw/zinc/70/84/12/640708412.db2.gz AHQZUQAQNRDNLP-UHFFFAOYSA-N 2 0 281.787 2.462 20 30 CEEDRP CC[NH+](CC)[C@@H](CNC(NC1CC1)=[NH+]C)CC(C)C ZINC000848984192 642206388 /nfs/dbraw/zinc/20/63/88/642206388.db2.gz XCOMSFINAXIBKJ-CQSZACIVSA-N 2 0 268.449 2.070 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001001010825 642675562 /nfs/dbraw/zinc/67/55/62/642675562.db2.gz XJHVMKJMXHQAMT-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877584695 650800586 /nfs/dbraw/zinc/80/05/86/650800586.db2.gz IOSXBGANPGMTTQ-LBPRGKRZSA-N 2 0 292.814 2.428 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923391270 643690759 /nfs/dbraw/zinc/69/07/59/643690759.db2.gz XFOKLDDDNBWHEI-HZPDHXFCSA-N 2 0 266.429 2.025 20 30 CEEDRP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1C#N ZINC000858246234 645097525 /nfs/dbraw/zinc/09/75/25/645097525.db2.gz YMMBLEQGALXLOE-OAHLLOKOSA-N 2 0 287.407 2.388 20 30 CEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000865411292 647281175 /nfs/dbraw/zinc/28/11/75/647281175.db2.gz AEKQWKUPTVHMAK-HNNXBMFYSA-N 2 0 298.434 2.198 20 30 CEEDRP CC(C)[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866613897 647842845 /nfs/dbraw/zinc/84/28/45/647842845.db2.gz GAFBFCVOXGBIBQ-GOSISDBHSA-N 2 0 283.419 2.488 20 30 CEEDRP C[C@@H]1C[C@H](C[N@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219018 649594722 /nfs/dbraw/zinc/59/47/22/649594722.db2.gz CRNPNHKVLOSFHH-RHSMWYFYSA-N 2 0 271.408 2.421 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291898 649629495 /nfs/dbraw/zinc/62/94/95/649629495.db2.gz NMOLLNDQNSCSKB-JKSUJKDBSA-N 2 0 278.440 2.480 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000883438308 652470161 /nfs/dbraw/zinc/47/01/61/652470161.db2.gz PZXXZIDLPRZJHU-ZFWWWQNUSA-N 2 0 252.402 2.042 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001270967570 805701127 /nfs/dbraw/zinc/70/11/27/805701127.db2.gz KAVDXOGZFLJKQZ-HRCADAONSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271311665 805911385 /nfs/dbraw/zinc/91/13/85/805911385.db2.gz QBTPMGAOQGTJQP-HZPDHXFCSA-N 2 0 295.471 2.025 20 30 CEEDRP C/C(N[C@@H]1CCO[C@@H](C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001168101980 806165747 /nfs/dbraw/zinc/16/57/47/806165747.db2.gz CZUITSMZCDAHJP-BLLLJJGKSA-N 2 0 275.396 2.221 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001272178095 806570475 /nfs/dbraw/zinc/57/04/75/806570475.db2.gz BJKQGZRZQJHVBW-HOTGVXAUSA-N 2 0 295.471 2.216 20 30 CEEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895917 802975901 /nfs/dbraw/zinc/97/59/01/802975901.db2.gz UWVMCGPROSAZTA-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299740 813401559 /nfs/dbraw/zinc/40/15/59/813401559.db2.gz ZKFXBFYDCZDVLQ-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+]C[C@H]3OC)C[C@H](C1)C2 ZINC001246219348 813734374 /nfs/dbraw/zinc/73/43/74/813734374.db2.gz XLCXAFZOTBRIBX-GZNJTBKBSA-N 2 0 264.413 2.088 20 30 CEEDRP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001267513682 803519809 /nfs/dbraw/zinc/51/98/09/803519809.db2.gz BNOZQLSWCRYBIA-MRXNPFEDSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267817486 803752386 /nfs/dbraw/zinc/75/23/86/803752386.db2.gz LYKRCSOVLYGIHF-HRCADAONSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267817487 803752751 /nfs/dbraw/zinc/75/27/51/803752751.db2.gz LYKRCSOVLYGIHF-JYJNAYRXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268103393 804441888 /nfs/dbraw/zinc/44/18/88/804441888.db2.gz BOEFTSZEWYNZAM-OWCLPIDISA-N 2 0 295.471 2.023 20 30 CEEDRP C=CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038904849 804512547 /nfs/dbraw/zinc/51/25/47/804512547.db2.gz XXOHRHHQZSCEBR-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268876518 804993117 /nfs/dbraw/zinc/99/31/17/804993117.db2.gz JUSYKYOCOJMKCN-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001269355048 805138819 /nfs/dbraw/zinc/13/88/19/805138819.db2.gz DGBRPJRRZJNNJL-MRXNPFEDSA-N 2 0 295.471 2.217 20 30 CEEDRP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001270192773 805366162 /nfs/dbraw/zinc/36/61/62/805366162.db2.gz CVSSGONBVSDXLG-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001127322849 807726425 /nfs/dbraw/zinc/72/64/25/807726425.db2.gz YPAMMEGBOZIGJR-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168653644 808849926 /nfs/dbraw/zinc/84/99/26/808849926.db2.gz ZECJKBIERMGYER-INIZCTEOSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034797411 809696993 /nfs/dbraw/zinc/69/69/93/809696993.db2.gz ZUAKAXOSOXPXLU-VGWMRTNUSA-N 2 0 293.455 2.062 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172310495 815364541 /nfs/dbraw/zinc/36/45/41/815364541.db2.gz FXEILAZGVZXYAJ-ZTFGCOKTSA-N 2 0 283.419 2.373 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCCC)CC1 ZINC001121996228 815375411 /nfs/dbraw/zinc/37/54/11/815375411.db2.gz FLYQJGNQHJIOTD-OAHLLOKOSA-N 2 0 281.444 2.051 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001122116114 815385996 /nfs/dbraw/zinc/38/59/96/815385996.db2.gz QBKOILRBMGUFNV-XHSDSOJGSA-N 2 0 295.471 2.417 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822710 811142998 /nfs/dbraw/zinc/14/29/98/811142998.db2.gz YCKYUFZDCHZVIB-OAHLLOKOSA-N 2 0 283.460 2.147 20 30 CEEDRP C[C@H](CCCC#N)[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001172489595 815450857 /nfs/dbraw/zinc/45/08/57/815450857.db2.gz WIKGLQCBNSLCSS-GDBMZVCRSA-N 2 0 279.428 2.159 20 30 CEEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCC[C@H]1C[NH3+] ZINC001206012998 811575171 /nfs/dbraw/zinc/57/51/71/811575171.db2.gz OQTSSPLUNOWYFQ-RYUDHWBXSA-N 2 0 263.410 2.427 20 30 CEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052955873 812479054 /nfs/dbraw/zinc/47/90/54/812479054.db2.gz KTVIQPPVFDLNTI-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430241 812494255 /nfs/dbraw/zinc/49/42/55/812494255.db2.gz PWCSJBUHBBOFBV-MRXNPFEDSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052428183 812991279 /nfs/dbraw/zinc/99/12/79/812991279.db2.gz FNIMEHVQRYYKGZ-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498393 812998064 /nfs/dbraw/zinc/99/80/64/812998064.db2.gz HGSYRCJXKVLQFE-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133906443 813174675 /nfs/dbraw/zinc/17/46/75/813174675.db2.gz WAZGKQVYGLHQKZ-AWEZNQCLSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170742956 813244028 /nfs/dbraw/zinc/24/40/28/813244028.db2.gz OZNOWZFXAYCGKD-CVEARBPZSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612381 813297035 /nfs/dbraw/zinc/29/70/35/813297035.db2.gz LUNBZWBDPXHXDX-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612380 813297384 /nfs/dbraw/zinc/29/73/84/813297384.db2.gz LUNBZWBDPXHXDX-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082023 813362659 /nfs/dbraw/zinc/36/26/59/813362659.db2.gz WPFRZPAKNYJNBP-GJZGRUSLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135316666 813407602 /nfs/dbraw/zinc/40/76/02/813407602.db2.gz VWLQPNQNQDXSEF-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377857 813419318 /nfs/dbraw/zinc/41/93/18/813419318.db2.gz DXSMUNWACMVEDH-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171119374 813896809 /nfs/dbraw/zinc/89/68/09/813896809.db2.gz IVSMJNKFOJPGDE-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174930670 816105009 /nfs/dbraw/zinc/10/50/09/816105009.db2.gz XPDZCEMYJSXYKE-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001178468056 816750086 /nfs/dbraw/zinc/75/00/86/816750086.db2.gz NOWPGTKAMRMONK-MRXNPFEDSA-N 2 0 295.471 2.311 20 30 CEEDRP C#CC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001179561698 816874431 /nfs/dbraw/zinc/87/44/31/816874431.db2.gz XXUXHFJWLKXFEI-MRXNPFEDSA-N 2 0 295.471 2.006 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233978555 344582951 /nfs/dbraw/zinc/58/29/51/344582951.db2.gz VLVRPAOBGWNRHX-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525050 347066313 /nfs/dbraw/zinc/06/63/13/347066313.db2.gz QCEPFMNLCPQKJN-CVEARBPZSA-N 2 0 293.455 2.407 20 30 CEEDRP C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592182163 345334877 /nfs/dbraw/zinc/33/48/77/345334877.db2.gz KXVZKAFSDICTOC-HNNXBMFYSA-N 2 0 299.418 2.416 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322865 345466596 /nfs/dbraw/zinc/46/65/96/345466596.db2.gz PFPJHJYVMJQFHB-RCCFBDPRSA-N 2 0 299.418 2.419 20 30 CEEDRP C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595893519 345908801 /nfs/dbraw/zinc/90/88/01/345908801.db2.gz RXLJFEJPDNJOPO-XJKSGUPXSA-N 2 0 257.381 2.017 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCC(C#N)CC1 ZINC000602589519 347090950 /nfs/dbraw/zinc/09/09/50/347090950.db2.gz SXCSPLPGWLOSIF-NRXISQOPSA-N 2 0 267.417 2.015 20 30 CEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000598729022 346411031 /nfs/dbraw/zinc/41/10/31/346411031.db2.gz YJSDUSRXEAIVJU-HNNXBMFYSA-N 2 0 281.444 2.143 20 30 CEEDRP N#CC1(C[C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000600726542 346679506 /nfs/dbraw/zinc/67/95/06/346679506.db2.gz MJYKAAYIOISYPW-INIZCTEOSA-N 2 0 293.455 2.287 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCC[C@H]2C#N)CC1 ZINC000602981018 347264112 /nfs/dbraw/zinc/26/41/12/347264112.db2.gz YQSRXFBGXJMZOE-IRXDYDNUSA-N 2 0 292.471 2.027 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000130204689 365932829 /nfs/dbraw/zinc/93/28/29/365932829.db2.gz ROJBSGSQYHCMLU-HOTGVXAUSA-N 2 0 266.429 2.264 20 30 CEEDRP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000618888502 349060901 /nfs/dbraw/zinc/06/09/01/349060901.db2.gz VHRUVULKXDOMAO-GJZGRUSLSA-N 2 0 279.428 2.017 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000106868639 186145135 /nfs/dbraw/zinc/14/51/35/186145135.db2.gz NEZZEANEGMZOII-JKSUJKDBSA-N 2 0 285.391 2.305 20 30 CEEDRP C[C@@H](CCC#N)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000351413563 295844864 /nfs/dbraw/zinc/84/48/64/295844864.db2.gz MDJKIIYWSQNJMT-ARFHVFGLSA-N 2 0 293.455 2.500 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1O ZINC000414925513 540247768 /nfs/dbraw/zinc/24/77/68/540247768.db2.gz LXNDOSXKDDJKRC-CABCVRRESA-N 2 0 290.407 2.489 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024272 364367543 /nfs/dbraw/zinc/36/75/43/364367543.db2.gz CCAVXYZOTIKYHM-XHDPSFHLSA-N 2 0 261.344 2.175 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584002436 367128615 /nfs/dbraw/zinc/12/86/15/367128615.db2.gz ZYRGBOTXCFUYGE-BBRMVZONSA-N 2 0 272.396 2.258 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C(C)C ZINC000165199673 367305942 /nfs/dbraw/zinc/30/59/42/367305942.db2.gz GOPAOXCLRWEHFL-LSDHHAIUSA-N 2 0 295.471 2.175 20 30 CEEDRP CCCCNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911725 367446663 /nfs/dbraw/zinc/44/66/63/367446663.db2.gz CLBYDRLYUAPSSX-UHFFFAOYSA-N 2 0 288.439 2.487 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343618566 367919682 /nfs/dbraw/zinc/91/96/82/367919682.db2.gz TVSJUPURHVUKCT-WMLDXEAASA-N 2 0 271.408 2.421 20 30 CEEDRP C=CCCC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000634725442 368841373 /nfs/dbraw/zinc/84/13/73/368841373.db2.gz TYDKSTPKOMFMGS-CQSZACIVSA-N 2 0 254.418 2.025 20 30 CEEDRP C=CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998358 369029776 /nfs/dbraw/zinc/02/97/76/369029776.db2.gz DSBONPXMYDFDIB-UKRRQHHQSA-N 2 0 260.381 2.278 20 30 CEEDRP C=C(C)C[N@H+](CC)CCCN1CC[NH+](C(C)C)CC1 ZINC000191407988 369709990 /nfs/dbraw/zinc/70/99/90/369709990.db2.gz MKUBCSMPRMBUKQ-UHFFFAOYSA-N 2 0 267.461 2.301 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246912861 371030225 /nfs/dbraw/zinc/03/02/25/371030225.db2.gz RZSZVGMEQCRDBF-PVAVHDDUSA-N 2 0 278.440 2.262 20 30 CEEDRP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+](C)C1CC1 ZINC000264236452 371988158 /nfs/dbraw/zinc/98/81/58/371988158.db2.gz DFTRFIUZTSNMBI-LBPRGKRZSA-N 2 0 286.423 2.385 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1C#N ZINC000397295194 375340103 /nfs/dbraw/zinc/34/01/03/375340103.db2.gz ZIVLOJUVIAXTSG-ZENOOKHLSA-N 2 0 287.407 2.372 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C#N)cc1F ZINC000290350288 376742585 /nfs/dbraw/zinc/74/25/85/376742585.db2.gz FZVFUSNKUPYLID-LRDDRELGSA-N 2 0 275.371 2.469 20 30 CEEDRP C=C(CC)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420976344 376754241 /nfs/dbraw/zinc/75/42/41/376754241.db2.gz GVPMGTPPVSRGAG-UHFFFAOYSA-N 2 0 279.472 2.445 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000436299348 377822260 /nfs/dbraw/zinc/82/22/60/377822260.db2.gz JRLXFUOKHMUWQM-FPCVCCKLSA-N 2 0 266.429 2.288 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000295075288 378040408 /nfs/dbraw/zinc/04/04/08/378040408.db2.gz SLBUYMJNQSLGNK-MRXNPFEDSA-N 2 0 272.392 2.314 20 30 CEEDRP C#Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000279148359 194306323 /nfs/dbraw/zinc/30/63/23/194306323.db2.gz ZXRUXNJXFCXDBV-SFHVURJKSA-N 2 0 298.430 2.258 20 30 CEEDRP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362031683 394842766 /nfs/dbraw/zinc/84/27/66/394842766.db2.gz DFEGNIGSOIHIAG-BRWVUGGUSA-N 2 0 278.440 2.269 20 30 CEEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000338942022 394934519 /nfs/dbraw/zinc/93/45/19/394934519.db2.gz OLBXLLHGFBFAAU-DLBZAZTESA-N 2 0 291.439 2.113 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000346995588 395115845 /nfs/dbraw/zinc/11/58/45/395115845.db2.gz BNHVDBVMUOHXPY-BBRMVZONSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000346995597 395116393 /nfs/dbraw/zinc/11/63/93/395116393.db2.gz BNHVDBVMUOHXPY-XJKSGUPXSA-N 2 0 260.381 2.421 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443968542 395407929 /nfs/dbraw/zinc/40/79/29/395407929.db2.gz FHQDAQVADMZXRX-HNNXBMFYSA-N 2 0 257.381 2.298 20 30 CEEDRP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000661754666 415445219 /nfs/dbraw/zinc/44/52/19/415445219.db2.gz ADJSODGTUUBXEV-UHFFFAOYSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[C@@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CCC[NH2+]1 ZINC000662735368 415948435 /nfs/dbraw/zinc/94/84/35/415948435.db2.gz NBTYQYRKVFEHJF-RDJZCZTQSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000666951044 419487381 /nfs/dbraw/zinc/48/73/81/419487381.db2.gz ZIEAFBCKHWNLEX-INIZCTEOSA-N 2 0 272.392 2.483 20 30 CEEDRP C[N@H+](CCNC(=[NH2+])Nc1ccccc1)C1CCCC1 ZINC000071379499 260162421 /nfs/dbraw/zinc/16/24/21/260162421.db2.gz IRXQAGDCSCLQKU-UHFFFAOYSA-N 2 0 260.385 2.288 20 30 CEEDRP CCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000264093360 262869566 /nfs/dbraw/zinc/86/95/66/262869566.db2.gz LMLDXHICNOBMAW-UHFFFAOYSA-N 2 0 288.439 2.343 20 30 CEEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)Nc1ccccc1 ZINC000277532190 263041623 /nfs/dbraw/zinc/04/16/23/263041623.db2.gz OZOQEDYJVSMRIG-OAHLLOKOSA-N 2 0 272.396 2.430 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000366691513 263132496 /nfs/dbraw/zinc/13/24/96/263132496.db2.gz BSBROURUULZYLB-HZMVEIRTSA-N 2 0 289.423 2.078 20 30 CEEDRP C[NH+]1CCC(CC[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123636929 279794744 /nfs/dbraw/zinc/79/47/44/279794744.db2.gz AXJQTKKMAMDUMI-UHFFFAOYSA-N 2 0 297.406 2.027 20 30 CEEDRP N#C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000061891802 294840905 /nfs/dbraw/zinc/84/09/05/294840905.db2.gz WVYPTRHNUINBDN-CZUORRHYSA-N 2 0 270.380 2.332 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414945998 328279061 /nfs/dbraw/zinc/27/90/61/328279061.db2.gz JCQVUCRFZFUPEJ-DZGCQCFKSA-N 2 0 260.381 2.482 20 30 CEEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000387341678 321877685 /nfs/dbraw/zinc/87/76/85/321877685.db2.gz QHLKWSHHRKZUJH-UHFFFAOYSA-N 2 0 266.414 2.225 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000174273732 327015856 /nfs/dbraw/zinc/01/58/56/327015856.db2.gz UIDUWAWEPDUGHX-UHFFFAOYSA-N 2 0 267.417 2.018 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262678255 330026285 /nfs/dbraw/zinc/02/62/85/330026285.db2.gz RYRUOUYOLKICTK-JSGCOSHPSA-N 2 0 292.452 2.221 20 30 CEEDRP C[C@@H]1C[NH+]=C(NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)N1 ZINC000262682517 330026756 /nfs/dbraw/zinc/02/67/56/330026756.db2.gz WWAIJJBAJOCXLB-BZPMIXESSA-N 2 0 292.452 2.068 20 30 CEEDRP N#CCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033959 330166288 /nfs/dbraw/zinc/16/62/88/330166288.db2.gz PGRLFRDWYGGGLT-HOCLYGCPSA-N 2 0 271.364 2.136 20 30 CEEDRP C=CC[C@H](CC)[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423094470 330169528 /nfs/dbraw/zinc/16/95/28/330169528.db2.gz BYHMVHXMMFIZGR-KGLIPLIRSA-N 2 0 282.428 2.252 20 30 CEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423096537 330169816 /nfs/dbraw/zinc/16/98/16/330169816.db2.gz PEULYYKEBGKZRK-HXSCFSKGSA-N 2 0 252.402 2.075 20 30 CEEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])CCCC1 ZINC000423152898 330173104 /nfs/dbraw/zinc/17/31/04/330173104.db2.gz GIHMEJLXYZKZND-SOUVJXGZSA-N 2 0 266.429 2.465 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410636 330197194 /nfs/dbraw/zinc/19/71/94/330197194.db2.gz DJWXLHOHSMDFEO-HUUCEWRRSA-N 2 0 252.402 2.089 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423395833 330200904 /nfs/dbraw/zinc/20/09/04/330200904.db2.gz AXXZYUYIZSNWLN-AWEZNQCLSA-N 2 0 254.418 2.337 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000424294063 330335568 /nfs/dbraw/zinc/33/55/68/330335568.db2.gz JTCKSUWOTXGSFR-OTJKEOIZSA-N 2 0 264.413 2.040 20 30 CEEDRP C=C(CC)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536891870 330363480 /nfs/dbraw/zinc/36/34/80/330363480.db2.gz ZSBNBBSUVDMMAW-MRXNPFEDSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1CC1 ZINC000120144349 330385770 /nfs/dbraw/zinc/38/57/70/330385770.db2.gz OMKRZGITYGQQBY-QGZVFWFLSA-N 2 0 279.472 2.348 20 30 CEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000491709639 332301707 /nfs/dbraw/zinc/30/17/07/332301707.db2.gz QXTVXLMFXKTQLD-UHFFFAOYSA-N 2 0 284.407 2.067 20 30 CEEDRP C=CC[NH+](CC=C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191435317 534827363 /nfs/dbraw/zinc/82/73/63/534827363.db2.gz KEBTVPZCWQHBJA-UHFFFAOYSA-N 2 0 265.445 2.077 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@H](CC(C)C)[NH+]1CCCC1 ZINC000104160618 624319994 /nfs/dbraw/zinc/31/99/94/624319994.db2.gz FXFJFZVCOHDJSL-AWEZNQCLSA-N 2 0 268.449 2.057 20 30 CEEDRP C=CC[C@H]1CC[NH+]1CC1(C[N@H+]2CC[C@@H]2CC=C)COC1 ZINC000934462678 624510520 /nfs/dbraw/zinc/51/05/20/624510520.db2.gz ZZKNHYQPZZQXKL-HOTGVXAUSA-N 2 0 276.424 2.304 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022808212 624631868 /nfs/dbraw/zinc/63/18/68/624631868.db2.gz QZIOWQNCCPIUHA-OWCLPIDISA-N 2 0 293.455 2.062 20 30 CEEDRP C#CCSCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000181097978 627370077 /nfs/dbraw/zinc/37/00/77/627370077.db2.gz FRESEGKWFNMWGM-UHFFFAOYSA-N 2 0 254.443 2.205 20 30 CEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000104175783 628685494 /nfs/dbraw/zinc/68/54/94/628685494.db2.gz ZOOZLAFUJTUVST-DZGCQCFKSA-N 2 0 282.476 2.446 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000925739626 628700919 /nfs/dbraw/zinc/70/09/19/628700919.db2.gz ARTMMYVBBJSKGY-ZDUSSCGKSA-N 2 0 260.381 2.477 20 30 CEEDRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067222789 629174956 /nfs/dbraw/zinc/17/49/56/629174956.db2.gz OODSJKJLLMEWJQ-MRXNPFEDSA-N 2 0 257.381 2.380 20 30 CEEDRP CSC1(C[NH2+]CC#Cc2ccccc2)CC[NH+](C)CC1 ZINC000894546353 629528501 /nfs/dbraw/zinc/52/85/01/629528501.db2.gz ZIEJKSLLXLFFKI-UHFFFAOYSA-N 2 0 288.460 2.455 20 30 CEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000895841819 630365669 /nfs/dbraw/zinc/36/56/69/630365669.db2.gz IOMUYGVQVKPEQO-UHFFFAOYSA-N 2 0 298.434 2.022 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896208416 630497194 /nfs/dbraw/zinc/49/71/94/630497194.db2.gz HASHPXKPNHFNJV-HNNXBMFYSA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@H](CNC(=[NH2+])N1CCCCCC1)C[NH+]1CCCCC1 ZINC000305092553 631108528 /nfs/dbraw/zinc/10/85/28/631108528.db2.gz XPEKSWHIULDRGH-OAHLLOKOSA-N 2 0 280.460 2.299 20 30 CEEDRP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000809627542 632116309 /nfs/dbraw/zinc/11/63/09/632116309.db2.gz XMTJDWABABIRPR-MOPGFXCFSA-N 2 0 298.430 2.135 20 30 CEEDRP C#C[C@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809683461 632126812 /nfs/dbraw/zinc/12/68/12/632126812.db2.gz BWGSNANHGRCVGZ-INIZCTEOSA-N 2 0 285.435 2.330 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000817971621 633815835 /nfs/dbraw/zinc/81/58/35/633815835.db2.gz OLLWGRRHGWMKFZ-IPYPFGDCSA-N 2 0 273.380 2.380 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817981572 633825071 /nfs/dbraw/zinc/82/50/71/633825071.db2.gz LHIJLWKEZCRGJF-GUTXKFCHSA-N 2 0 273.380 2.367 20 30 CEEDRP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OCC#N)cc1 ZINC000817984066 633826109 /nfs/dbraw/zinc/82/61/09/633826109.db2.gz MLPNHWYWXNSKIY-CYBMUJFWSA-N 2 0 273.380 2.382 20 30 CEEDRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017959 634927011 /nfs/dbraw/zinc/92/70/11/634927011.db2.gz ULVXJMVDVHILTQ-UONOGXRCSA-N 2 0 272.396 2.336 20 30 CEEDRP C[C@@H]1C[C@@H](C[N@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469184 635647046 /nfs/dbraw/zinc/64/70/46/635647046.db2.gz JHZKGZIGAZNKKE-NEPJUHHUSA-N 2 0 263.410 2.440 20 30 CEEDRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000905599766 636347053 /nfs/dbraw/zinc/34/70/53/636347053.db2.gz BOVMCAVNQHZBAE-HWOWSKLDSA-N 2 0 291.439 2.038 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000910424827 638043298 /nfs/dbraw/zinc/04/32/98/638043298.db2.gz RQYKSXAERBBOST-UHFFFAOYSA-N 2 0 293.386 2.334 20 30 CEEDRP C#CCCCCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000876715358 650408789 /nfs/dbraw/zinc/40/87/89/650408789.db2.gz MQCWZEQHWWRFDY-SFHVURJKSA-N 2 0 291.483 2.282 20 30 CEEDRP CCCC[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912496709 638702289 /nfs/dbraw/zinc/70/22/89/638702289.db2.gz DBHHVGCOZDDKET-CYBMUJFWSA-N 2 0 268.449 2.214 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C(C)C)C1 ZINC000912509339 638714119 /nfs/dbraw/zinc/71/41/19/638714119.db2.gz COUCVZOWRUIPKB-CQSZACIVSA-N 2 0 282.476 2.460 20 30 CEEDRP C#CCCCCCC[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000876922925 650486838 /nfs/dbraw/zinc/48/68/38/650486838.db2.gz BHAMHXFDKJPPSE-UHFFFAOYSA-N 2 0 279.472 2.186 20 30 CEEDRP C#C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000848923477 642195329 /nfs/dbraw/zinc/19/53/29/642195329.db2.gz LPZVKEAQZIDINK-INIZCTEOSA-N 2 0 286.419 2.472 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000848987036 642209563 /nfs/dbraw/zinc/20/95/63/642209563.db2.gz GXZQROIOQQGWFK-KBPBESRZSA-N 2 0 292.427 2.208 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998899122 642447104 /nfs/dbraw/zinc/44/71/04/642447104.db2.gz AVCXFLCECVSLIS-PCKAHOCUSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003627841 642962806 /nfs/dbraw/zinc/96/28/06/642962806.db2.gz IXOAHCMFHGSSPE-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358800 643677141 /nfs/dbraw/zinc/67/71/41/643677141.db2.gz KOHQZIISLSAEJX-XHSDSOJGSA-N 2 0 266.429 2.025 20 30 CEEDRP C[C@@H]1CC[C@H](C[NH3+])N(C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000923424981 643703964 /nfs/dbraw/zinc/70/39/64/643703964.db2.gz VVBBCPKSSVDXIA-BQGCOEIASA-N 2 0 287.407 2.039 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858246198 645097880 /nfs/dbraw/zinc/09/78/80/645097880.db2.gz XLZKWVVMPQNHNH-QGZVFWFLSA-N 2 0 256.393 2.489 20 30 CEEDRP C#CCCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000766223581 645860222 /nfs/dbraw/zinc/86/02/22/645860222.db2.gz RJVAOXLXKPNVAT-CVEARBPZSA-N 2 0 266.429 2.126 20 30 CEEDRP C=C(C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000783752282 647756552 /nfs/dbraw/zinc/75/65/52/647756552.db2.gz AFGZTFXBALVWOP-UHFFFAOYSA-N 2 0 259.397 2.104 20 30 CEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000872223465 649320829 /nfs/dbraw/zinc/32/08/29/649320829.db2.gz SGDMAKXTNSRGPB-INIZCTEOSA-N 2 0 295.471 2.387 20 30 CEEDRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000873292149 649629406 /nfs/dbraw/zinc/62/94/06/649629406.db2.gz OMMXDHBGFUTMDT-YOEHRIQHSA-N 2 0 299.418 2.368 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883185580 652393080 /nfs/dbraw/zinc/39/30/80/652393080.db2.gz ABGIFSHEGYBNHC-CVEARBPZSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000883188016 652393826 /nfs/dbraw/zinc/39/38/26/652393826.db2.gz BFBHCIYWWQDQJB-OWCLPIDISA-N 2 0 266.429 2.432 20 30 CEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001203442993 805822552 /nfs/dbraw/zinc/82/25/52/805822552.db2.gz OXDQSGFQCKFCJJ-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001271601079 805999052 /nfs/dbraw/zinc/99/90/52/805999052.db2.gz VQISPIFJVGMEIZ-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001088327305 806119586 /nfs/dbraw/zinc/11/95/86/806119586.db2.gz KDDIBBZZYHYFMT-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001088325941 806119672 /nfs/dbraw/zinc/11/96/72/806119672.db2.gz CCKNICRMALGQEL-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266547291 802701466 /nfs/dbraw/zinc/70/14/66/802701466.db2.gz ODWJEBUIHNWNOM-OWCLPIDISA-N 2 0 295.471 2.118 20 30 CEEDRP C=CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001028181242 804518969 /nfs/dbraw/zinc/51/89/69/804518969.db2.gz PHKPAMVCTAJANH-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001269476432 805176089 /nfs/dbraw/zinc/17/60/89/805176089.db2.gz CZNQLVCFWUTCIM-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C[NH+]1CCC(C#N)(NC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171631288 815201833 /nfs/dbraw/zinc/20/18/33/815201833.db2.gz XOIADZIQHJCSIZ-UHFFFAOYSA-N 2 0 292.471 2.215 20 30 CEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034400287 809599914 /nfs/dbraw/zinc/59/99/14/809599914.db2.gz XIAYXQHAJYCQLR-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791097 810354936 /nfs/dbraw/zinc/35/49/36/810354936.db2.gz ADVQSPZRBBTUDT-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172290382 815382891 /nfs/dbraw/zinc/38/28/91/815382891.db2.gz PFJPWVJXNMGWFU-VBNZEHGJSA-N 2 0 257.381 2.349 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001172290373 815382936 /nfs/dbraw/zinc/38/29/36/815382936.db2.gz PFJPWVJXNMGWFU-UHOFOFEASA-N 2 0 257.381 2.349 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122103473 815385101 /nfs/dbraw/zinc/38/51/01/815385101.db2.gz LOCHHNGPNHTWLJ-HNNXBMFYSA-N 2 0 293.455 2.147 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127566 811395300 /nfs/dbraw/zinc/39/53/00/811395300.db2.gz POCHRCYIGGEKMV-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001172489103 815450994 /nfs/dbraw/zinc/45/09/94/815450994.db2.gz ZGCYUMLLOMCQOP-BZUAXINKSA-N 2 0 279.428 2.302 20 30 CEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001109464007 811895110 /nfs/dbraw/zinc/89/51/10/811895110.db2.gz HQODLAVSNXGCRD-ILXRZTDVSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002760 811981747 /nfs/dbraw/zinc/98/17/47/811981747.db2.gz SWNPYGJWCMCYFS-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001130006656 812526062 /nfs/dbraw/zinc/52/60/62/812526062.db2.gz OCYCGXHRQGXJMJ-OAHLLOKOSA-N 2 0 292.427 2.142 20 30 CEEDRP C=CCCCNc1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001159262022 813327832 /nfs/dbraw/zinc/32/78/32/813327832.db2.gz FIHTVFUTFZCKQX-UHFFFAOYSA-N 2 0 260.385 2.387 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135317335 813407950 /nfs/dbraw/zinc/40/79/50/813407950.db2.gz XSCIQFREFOVFFU-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384950 814285401 /nfs/dbraw/zinc/28/54/01/814285401.db2.gz XJTZMWVUKIGIJI-HNNXBMFYSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613213 814299565 /nfs/dbraw/zinc/29/95/65/814299565.db2.gz SDWVJAIGBRDJST-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCOC1CCC([NH2+]CCCC[NH+](C)C)CC1 ZINC001173308912 815662654 /nfs/dbraw/zinc/66/26/54/815662654.db2.gz PCKMIPNUQAIXMA-UHFFFAOYSA-N 2 0 254.418 2.432 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001174649204 816065835 /nfs/dbraw/zinc/06/58/35/816065835.db2.gz BGZPYTFUVYGDTQ-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCn1cc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)cn1 ZINC001139771134 816111836 /nfs/dbraw/zinc/11/18/36/816111836.db2.gz PIDQGNBQXLPUIQ-UHFFFAOYSA-N 2 0 288.439 2.377 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175047942 816129191 /nfs/dbraw/zinc/12/91/91/816129191.db2.gz DRFPCWAEQSGBRN-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176729175 816462243 /nfs/dbraw/zinc/46/22/43/816462243.db2.gz YNXQPZXJJKXMNX-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986046 816503208 /nfs/dbraw/zinc/50/32/08/816503208.db2.gz CMQXEAGBGGBMKH-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCn1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cn1 ZINC001206311862 816662118 /nfs/dbraw/zinc/66/21/18/816662118.db2.gz WDOAHNBGXIIYFB-HNNXBMFYSA-N 2 0 262.401 2.020 20 30 CEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccccc2C[NH+](C)C)CC1 ZINC000050030018 343540896 /nfs/dbraw/zinc/54/08/96/343540896.db2.gz QSNSPHFCIPUMMT-UHFFFAOYSA-N 2 0 299.418 2.032 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(F)c1C#N ZINC000602010796 346957692 /nfs/dbraw/zinc/95/76/92/346957692.db2.gz DSONOQDFPFMPTA-AWEZNQCLSA-N 2 0 293.386 2.144 20 30 CEEDRP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH3+])CC1 ZINC000138627565 344391138 /nfs/dbraw/zinc/39/11/38/344391138.db2.gz CXAZWAAWNLDIFL-UHFFFAOYSA-N 2 0 257.381 2.329 20 30 CEEDRP C=CCC[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000157165837 344445288 /nfs/dbraw/zinc/44/52/88/344445288.db2.gz FOGBSVWBAOPQMM-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C[C@H](CCC#N)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000602486721 347055832 /nfs/dbraw/zinc/05/58/32/347055832.db2.gz OYSSRKVKQLFDIL-FXUDXRNXSA-N 2 0 279.428 2.110 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579223 345265941 /nfs/dbraw/zinc/26/59/41/345265941.db2.gz BRLBOQQOOIBKER-WFASDCNBSA-N 2 0 255.365 2.351 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CC2 ZINC000591580021 345266767 /nfs/dbraw/zinc/26/67/67/345266767.db2.gz HDAKLZYJQPVNFS-HZPDHXFCSA-N 2 0 267.376 2.277 20 30 CEEDRP C[NH+]1CCC2(CC1)C[N@H+](CC(C)(C)CCC#N)CCO2 ZINC000592529417 345368320 /nfs/dbraw/zinc/36/83/20/345368320.db2.gz YSUXNHIRLPMCFV-UHFFFAOYSA-N 2 0 279.428 2.113 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000595073184 345739345 /nfs/dbraw/zinc/73/93/45/345739345.db2.gz SXMODRFFERNGTB-SQNIBIBYSA-N 2 0 299.418 2.035 20 30 CEEDRP C=CCSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594918960 345701448 /nfs/dbraw/zinc/70/14/48/345701448.db2.gz DDCTYGWRFOQJSN-UHFFFAOYSA-N 2 0 274.393 2.276 20 30 CEEDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889638 345906908 /nfs/dbraw/zinc/90/69/08/345906908.db2.gz AQWYQRFXEHZOIQ-BBRMVZONSA-N 2 0 257.381 2.160 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097539 345939215 /nfs/dbraw/zinc/93/92/15/345939215.db2.gz YUKPFOAOKBETHQ-PMPSAXMXSA-N 2 0 261.413 2.390 20 30 CEEDRP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)cc1 ZINC000600712392 346675913 /nfs/dbraw/zinc/67/59/13/346675913.db2.gz XLJWJEYNBQAJJX-HNNXBMFYSA-N 2 0 273.380 2.107 20 30 CEEDRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1C#N ZINC000600711723 346675948 /nfs/dbraw/zinc/67/59/48/346675948.db2.gz RQTVRKPKYZBMDZ-MSOLQXFVSA-N 2 0 299.418 2.195 20 30 CEEDRP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2-n2ccnc2)CC1 ZINC000600730409 346680254 /nfs/dbraw/zinc/68/02/54/346680254.db2.gz FYSDPEPLKJEZOX-HNNXBMFYSA-N 2 0 296.374 2.017 20 30 CEEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000063917484 362777902 /nfs/dbraw/zinc/77/79/02/362777902.db2.gz JKFYIKIOEYODMO-INIZCTEOSA-N 2 0 257.381 2.380 20 30 CEEDRP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848833 366406412 /nfs/dbraw/zinc/40/64/12/366406412.db2.gz HZFYHIVIHVVQBF-RDTXWAMCSA-N 2 0 299.418 2.290 20 30 CEEDRP CC#CCC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000157578833 366845456 /nfs/dbraw/zinc/84/54/56/366845456.db2.gz HGBOJOKPXHEFNB-UHFFFAOYSA-N 2 0 280.456 2.470 20 30 CEEDRP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC000335878082 365104367 /nfs/dbraw/zinc/10/43/67/365104367.db2.gz QDGPSMOOAKASHR-XJKSGUPXSA-N 2 0 257.381 2.439 20 30 CEEDRP C[NH+]=C(NCc1cccc(C[NH+]2CCCC2)c1)NC1CC1 ZINC000171409377 367536111 /nfs/dbraw/zinc/53/61/11/367536111.db2.gz LKXZLBINKFGFPB-UHFFFAOYSA-N 2 0 286.423 2.110 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000346690732 368773093 /nfs/dbraw/zinc/77/30/93/368773093.db2.gz UQUBAHPXYQPMSJ-HIFRSBDPSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000348047909 368874137 /nfs/dbraw/zinc/87/41/37/368874137.db2.gz GJENGOCLWHCFIS-MRXNPFEDSA-N 2 0 266.429 2.387 20 30 CEEDRP C=C(CC)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000358618906 371141013 /nfs/dbraw/zinc/14/10/13/371141013.db2.gz XZWUFVJDNZLMMN-QLFBSQMISA-N 2 0 252.402 2.136 20 30 CEEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000264091975 371967149 /nfs/dbraw/zinc/96/71/49/371967149.db2.gz LIPXOHLHGGCPAL-UHFFFAOYSA-N 2 0 276.428 2.341 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(C)cc(C)c2)C1 ZINC000264135343 371976720 /nfs/dbraw/zinc/97/67/20/371976720.db2.gz ZJYHEDYREDGBFT-CQSZACIVSA-N 2 0 274.412 2.372 20 30 CEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000268656516 372170765 /nfs/dbraw/zinc/17/07/65/372170765.db2.gz LBBJRLJSLSVJQH-HZPDHXFCSA-N 2 0 296.374 2.194 20 30 CEEDRP C=CCCC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986790 376760849 /nfs/dbraw/zinc/76/08/49/376760849.db2.gz ZALRLZJCQHQICM-UHFFFAOYSA-N 2 0 279.472 2.445 20 30 CEEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C#N)cc1F ZINC000290350299 376743307 /nfs/dbraw/zinc/74/33/07/376743307.db2.gz FZVFUSNKUPYLID-WBMJQRKESA-N 2 0 275.371 2.469 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000305065216 379617607 /nfs/dbraw/zinc/61/76/07/379617607.db2.gz HOZQVSATIRBTMW-HUUCEWRRSA-N 2 0 254.418 2.120 20 30 CEEDRP CCC(CC)[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000303364888 394479129 /nfs/dbraw/zinc/47/91/29/394479129.db2.gz GCHGDBZQZPSWQK-OAHLLOKOSA-N 2 0 282.476 2.399 20 30 CEEDRP CCN(CC)C(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000104157422 394718437 /nfs/dbraw/zinc/71/84/37/394718437.db2.gz FXLFYJICXCKMJD-UHFFFAOYSA-N 2 0 276.428 2.165 20 30 CEEDRP C=CCC[C@@H](CCC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000360253728 394795198 /nfs/dbraw/zinc/79/51/98/394795198.db2.gz TVQUFYFJSQZJRA-CQSZACIVSA-N 2 0 254.418 2.168 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339013010 394936413 /nfs/dbraw/zinc/93/64/13/394936413.db2.gz ZMHHBHNNMLGAFG-BZUAXINKSA-N 2 0 279.428 2.111 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339013012 394936539 /nfs/dbraw/zinc/93/65/39/394936539.db2.gz ZMHHBHNNMLGAFG-OWCLPIDISA-N 2 0 279.428 2.111 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353616950 395302653 /nfs/dbraw/zinc/30/26/53/395302653.db2.gz CFKDXUGXDVZHSL-ZNMIVQPWSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC000651677655 401370134 /nfs/dbraw/zinc/37/01/34/401370134.db2.gz PGQRHJITQZZBHT-GVDBMIGSSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285165 415677017 /nfs/dbraw/zinc/67/70/17/415677017.db2.gz FNXPSNDTWIQIJL-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000068366351 260255991 /nfs/dbraw/zinc/25/59/91/260255991.db2.gz GQXDFECFIJHRPP-HNNXBMFYSA-N 2 0 288.439 2.466 20 30 CEEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])NC(C)(C)C)([NH+](C)C)C1 ZINC000203012738 261357445 /nfs/dbraw/zinc/35/74/45/261357445.db2.gz PPRONOBDNDCOTQ-DOMZBBRYSA-N 2 0 268.449 2.200 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000194686436 262241422 /nfs/dbraw/zinc/24/14/22/262241422.db2.gz OBGJFVYTQKSGCP-CQSZACIVSA-N 2 0 288.439 2.485 20 30 CEEDRP C=CCc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc(OC)c1O ZINC000414836395 263057399 /nfs/dbraw/zinc/05/73/99/263057399.db2.gz VABWROLTRDXGLG-CYBMUJFWSA-N 2 0 290.407 2.219 20 30 CEEDRP CN(C)C(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290738874 263118415 /nfs/dbraw/zinc/11/84/15/263118415.db2.gz WXNMZMIAXUVWNX-INIZCTEOSA-N 2 0 288.439 2.165 20 30 CEEDRP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000397318352 267088417 /nfs/dbraw/zinc/08/84/17/267088417.db2.gz ABVKUHCENOZCDV-WWGRRREGSA-N 2 0 257.381 2.363 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000459722566 267335658 /nfs/dbraw/zinc/33/56/58/267335658.db2.gz BWECXHDRTIRMDA-AWEZNQCLSA-N 2 0 257.381 2.380 20 30 CEEDRP C=C(C)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000375394920 267857778 /nfs/dbraw/zinc/85/77/78/267857778.db2.gz ZSWLDRFPJBADIU-OAHLLOKOSA-N 2 0 265.445 2.053 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CC2 ZINC000570790832 314058310 /nfs/dbraw/zinc/05/83/10/314058310.db2.gz YCPYLMVEUJHCRV-DZGCQCFKSA-N 2 0 278.359 2.416 20 30 CEEDRP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000266639990 328170069 /nfs/dbraw/zinc/17/00/69/328170069.db2.gz TXGFFEGVTNWCMR-INIZCTEOSA-N 2 0 287.407 2.363 20 30 CEEDRP C[NH+](C)CC1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000571994388 329935517 /nfs/dbraw/zinc/93/55/17/329935517.db2.gz PPRHFXOOZZLVQE-SLTAFYQDSA-N 2 0 262.401 2.140 20 30 CEEDRP CSC1(CNC(=[NH2+])N2CCCCCC2)CC[NH+](C)CC1 ZINC000262282910 330003865 /nfs/dbraw/zinc/00/38/65/330003865.db2.gz JMCMXGMCKWHQAN-UHFFFAOYSA-N 2 0 298.500 2.005 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834968 330156808 /nfs/dbraw/zinc/15/68/08/330156808.db2.gz ONLSNHHNKXBBJF-IKGGRYGDSA-N 2 0 279.472 2.415 20 30 CEEDRP C=CC[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422860713 330157888 /nfs/dbraw/zinc/15/78/88/330157888.db2.gz MTGIENDYWYLTTG-YJBOKZPZSA-N 2 0 287.451 2.185 20 30 CEEDRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422994127 330163208 /nfs/dbraw/zinc/16/32/08/330163208.db2.gz HARLSKQOFDBZHO-HOTGVXAUSA-N 2 0 275.396 2.375 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095695 330169691 /nfs/dbraw/zinc/16/96/91/330169691.db2.gz MZVZKZRFTBQEEB-KBXIAJHMSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423096540 330169840 /nfs/dbraw/zinc/16/98/40/330169840.db2.gz PEULYYKEBGKZRK-SHWKFHJASA-N 2 0 252.402 2.075 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000423100754 330170220 /nfs/dbraw/zinc/17/02/20/330170220.db2.gz HISOPRPPDOHWJV-IAOVAPTHSA-N 2 0 290.407 2.093 20 30 CEEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])CCCC1 ZINC000423152697 330173145 /nfs/dbraw/zinc/17/31/45/330173145.db2.gz GIHMEJLXYZKZND-RRFJBIMHSA-N 2 0 266.429 2.465 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423367379 330194741 /nfs/dbraw/zinc/19/47/41/330194741.db2.gz AIOJSAWLVJPPDV-ZDUSSCGKSA-N 2 0 287.407 2.087 20 30 CEEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423559565 330211805 /nfs/dbraw/zinc/21/18/05/330211805.db2.gz TVRXVSVLGKCQRI-WJTFHPDPSA-N 2 0 261.413 2.437 20 30 CEEDRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000414838880 533875279 /nfs/dbraw/zinc/87/52/79/533875279.db2.gz LTPKQAAHUUQMFK-ZDUSSCGKSA-N 2 0 273.380 2.046 20 30 CEEDRP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534962 625606198 /nfs/dbraw/zinc/60/61/98/625606198.db2.gz MPDSRAMBYDWLQL-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+]1CCCC1 ZINC000104160620 624319979 /nfs/dbraw/zinc/31/99/79/624319979.db2.gz FXFJFZVCOHDJSL-CQSZACIVSA-N 2 0 268.449 2.057 20 30 CEEDRP C=CC[C@@H]1CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934460508 624507721 /nfs/dbraw/zinc/50/77/21/624507721.db2.gz JOWYVWGXRWPBDZ-MRXNPFEDSA-N 2 0 265.445 2.053 20 30 CEEDRP C#CC[N@H+](C)CCCNc1cc[nH+]c(C)c1Cl ZINC000328314774 627877020 /nfs/dbraw/zinc/87/70/20/627877020.db2.gz XPWSZJUNABJUEK-UHFFFAOYSA-N 2 0 251.761 2.410 20 30 CEEDRP CC1(C)[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000925725727 628633036 /nfs/dbraw/zinc/63/30/36/628633036.db2.gz NIAJVZGXDSQBMT-QGZVFWFLSA-N 2 0 298.434 2.257 20 30 CEEDRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925796669 628841763 /nfs/dbraw/zinc/84/17/63/628841763.db2.gz LKJRQQVHZUGINM-XJKCOSOUSA-N 2 0 257.381 2.454 20 30 CEEDRP C#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000809627545 632116152 /nfs/dbraw/zinc/11/61/52/632116152.db2.gz XMTJDWABABIRPR-RBUKOAKNSA-N 2 0 298.430 2.135 20 30 CEEDRP CC(C)[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)N1CC[NH+](C)CC1 ZINC000924634508 632369315 /nfs/dbraw/zinc/36/93/15/632369315.db2.gz YNXHUFFGCDJBED-HZPDHXFCSA-N 2 0 294.487 2.176 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000817972407 633816012 /nfs/dbraw/zinc/81/60/12/633816012.db2.gz WVPCVIRIVSBQDH-OFQRWUPVSA-N 2 0 272.392 2.490 20 30 CEEDRP C=CCCCCC[C@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000817982975 633826045 /nfs/dbraw/zinc/82/60/45/633826045.db2.gz XCRIWCUAKADZEC-LSDHHAIUSA-N 2 0 254.418 2.480 20 30 CEEDRP N#CC1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000903447084 635133188 /nfs/dbraw/zinc/13/31/88/635133188.db2.gz CZNIDVVYGZSKTK-SVXVCFNTSA-N 2 0 261.413 2.376 20 30 CEEDRP N#Cc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825007 635292100 /nfs/dbraw/zinc/29/21/00/635292100.db2.gz XAZAPLWWXCVIMI-FUHWJXTLSA-N 2 0 299.418 2.321 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903929623 635355475 /nfs/dbraw/zinc/35/54/75/635355475.db2.gz IAOZPJVQPBKOFP-DOMZBBRYSA-N 2 0 255.365 2.114 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911623996 638337192 /nfs/dbraw/zinc/33/71/92/638337192.db2.gz PGIVDFFPVDPAJT-KGLIPLIRSA-N 2 0 269.433 2.014 20 30 CEEDRP CC[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912499145 638708279 /nfs/dbraw/zinc/70/82/79/638708279.db2.gz MCBBWMXVYMOULI-CYBMUJFWSA-N 2 0 268.449 2.070 20 30 CEEDRP C=CCCOCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231801629 639879363 /nfs/dbraw/zinc/87/93/63/639879363.db2.gz PXRIETILPIZNRX-GJZGRUSLSA-N 2 0 254.418 2.480 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843339946 640394112 /nfs/dbraw/zinc/39/41/12/640394112.db2.gz FEKWSDKWCMMVDZ-OWCLPIDISA-N 2 0 285.391 2.067 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)cccc1C ZINC000153322406 640461064 /nfs/dbraw/zinc/46/10/64/640461064.db2.gz HZQPHYPRNGBZSR-OAHLLOKOSA-N 2 0 288.439 2.192 20 30 CEEDRP C#CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000092253713 640668377 /nfs/dbraw/zinc/66/83/77/640668377.db2.gz JIBJSDLLXGRRFZ-KRWDZBQOSA-N 2 0 286.419 2.472 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505196 642493332 /nfs/dbraw/zinc/49/33/32/642493332.db2.gz IEPKAVNQOZQXNT-GPANFISMSA-N 2 0 293.455 2.014 20 30 CEEDRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)cc1C#N ZINC000923492651 643737074 /nfs/dbraw/zinc/73/70/74/643737074.db2.gz YLQPTMSXMYUMLJ-DZGCQCFKSA-N 2 0 257.381 2.283 20 30 CEEDRP Cc1ccc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)cc1C#N ZINC000923492653 643737436 /nfs/dbraw/zinc/73/74/36/643737436.db2.gz YLQPTMSXMYUMLJ-UKRRQHHQSA-N 2 0 257.381 2.283 20 30 CEEDRP C#CCCC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000766979415 645943159 /nfs/dbraw/zinc/94/31/59/645943159.db2.gz YAQWZQNMHGFJIH-UHFFFAOYSA-N 2 0 280.456 2.470 20 30 CEEDRP C[NH+]1CCC(C=[NH+]n2cnnc2-c2ccccc2)CC1 ZINC000872339195 649360424 /nfs/dbraw/zinc/36/04/24/649360424.db2.gz BUIDPHIXZFDXGQ-UHFFFAOYSA-N 2 0 269.352 2.121 20 30 CEEDRP C[C@@H]1C[C@@H](C[N@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219017 649594835 /nfs/dbraw/zinc/59/48/35/649594835.db2.gz CRNPNHKVLOSFHH-PBHICJAKSA-N 2 0 271.408 2.421 20 30 CEEDRP C=CCC1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCCC1 ZINC000879039317 651232903 /nfs/dbraw/zinc/23/29/03/651232903.db2.gz GLIXJXDQRPMTBW-UHFFFAOYSA-N 2 0 293.455 2.065 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](C#N)CCC#N)CC2 ZINC000879248433 651270234 /nfs/dbraw/zinc/27/02/34/651270234.db2.gz OHLVCMAEGKIGDF-HNNXBMFYSA-N 2 0 274.412 2.238 20 30 CEEDRP CC(C)C[N@H+](CCO[C@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000879703744 651341488 /nfs/dbraw/zinc/34/14/88/651341488.db2.gz VQXNADCJKAGLRL-OAHLLOKOSA-N 2 0 281.444 2.215 20 30 CEEDRP C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259783 651412221 /nfs/dbraw/zinc/41/22/21/651412221.db2.gz IRKAGUUIHSFWEX-IJEWVQPXSA-N 2 0 270.380 2.284 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840076 805811935 /nfs/dbraw/zinc/81/19/35/805811935.db2.gz GPJIPYOFRBMNGP-ARFHVFGLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001088708371 806675027 /nfs/dbraw/zinc/67/50/27/806675027.db2.gz QVGXLSVEIXYSEM-CJNGLKHVSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC001115598777 802945418 /nfs/dbraw/zinc/94/54/18/802945418.db2.gz YIDSQSCOKWZKFH-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267504536 803515633 /nfs/dbraw/zinc/51/56/33/803515633.db2.gz UMNIGZZXZUBPDK-INIZCTEOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267607923 803609005 /nfs/dbraw/zinc/60/90/05/803609005.db2.gz OOVDPJUFZKNZDG-JYJNAYRXSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879736 804315583 /nfs/dbraw/zinc/31/55/83/804315583.db2.gz XCUFHXOPCWGEFK-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038904846 804512831 /nfs/dbraw/zinc/51/28/31/804512831.db2.gz XXOHRHHQZSCEBR-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268594842 804870605 /nfs/dbraw/zinc/87/06/05/804870605.db2.gz GDWRUQYMPICTHP-XITLMJRVSA-N 2 0 293.455 2.089 20 30 CEEDRP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001269138616 805060763 /nfs/dbraw/zinc/06/07/63/805060763.db2.gz TWVCHYYZYRSVPP-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269799209 805255629 /nfs/dbraw/zinc/25/56/29/805255629.db2.gz SKNUVHCVEHIAOU-MRXNPFEDSA-N 2 0 295.471 2.121 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)o1 ZINC001118999022 815062265 /nfs/dbraw/zinc/06/22/65/815062265.db2.gz MEVWDCCGRKGDPM-UHFFFAOYSA-N 2 0 259.353 2.117 20 30 CEEDRP C=C(C)C(=O)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167965713 805467709 /nfs/dbraw/zinc/46/77/09/805467709.db2.gz LUYDLSJYLKWOLH-MQVJKMGUSA-N 2 0 292.423 2.101 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168433841 807408103 /nfs/dbraw/zinc/40/81/03/807408103.db2.gz IUCJMIUEQKWJKX-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001122296998 807641600 /nfs/dbraw/zinc/64/16/00/807641600.db2.gz WFPSMUOLWPFEPO-GJZGRUSLSA-N 2 0 283.460 2.262 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168667851 808871092 /nfs/dbraw/zinc/87/10/92/808871092.db2.gz ZUYABPOLLHPTFK-MRXNPFEDSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169959100 811726566 /nfs/dbraw/zinc/72/65/66/811726566.db2.gz TUCHBOLYZBNOSH-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113563322 812278860 /nfs/dbraw/zinc/27/88/60/812278860.db2.gz JOVVQIVNHVEQEJ-INIZCTEOSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001052955875 812477814 /nfs/dbraw/zinc/47/78/14/812477814.db2.gz KTVIQPPVFDLNTI-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111727 812789314 /nfs/dbraw/zinc/78/93/14/812789314.db2.gz WVQSJASKKMZOJH-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132269550 812816394 /nfs/dbraw/zinc/81/63/94/812816394.db2.gz LVIFPZLFXWGYNQ-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133685122 813136213 /nfs/dbraw/zinc/13/62/13/813136213.db2.gz QIYZOKVGLKFIMQ-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757520 813324208 /nfs/dbraw/zinc/32/42/08/813324208.db2.gz OZJHJPNGQJZPGH-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308160 813403527 /nfs/dbraw/zinc/40/35/27/813403527.db2.gz OXOUTUNFHVXHIG-OLZOCXBDSA-N 2 0 293.411 2.014 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135474547 813439549 /nfs/dbraw/zinc/43/95/49/813439549.db2.gz SRMVQNXJRZNWBD-HNNXBMFYSA-N 2 0 283.460 2.025 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135747879 813517235 /nfs/dbraw/zinc/51/72/35/813517235.db2.gz WFIXYAKTTBRMNF-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001246046945 813666918 /nfs/dbraw/zinc/66/69/18/813666918.db2.gz RKXCOZXIBSNRTN-ULQDDVLXSA-N 2 0 280.456 2.415 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159839009 813678894 /nfs/dbraw/zinc/67/88/94/813678894.db2.gz RQVBBJUCWWJYCC-MRXNPFEDSA-N 2 0 295.471 2.026 20 30 CEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001111466036 813987722 /nfs/dbraw/zinc/98/77/22/813987722.db2.gz DLYUDLWIIRRZTN-OAGGEKHMSA-N 2 0 293.455 2.014 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCC[NH+](C)C ZINC001171175635 814058145 /nfs/dbraw/zinc/05/81/45/814058145.db2.gz NLCIDDCKMLISJE-AWEZNQCLSA-N 2 0 259.397 2.421 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001171181097 814068227 /nfs/dbraw/zinc/06/82/27/814068227.db2.gz HBDKNSPARFPHGY-YOEHRIQHSA-N 2 0 271.408 2.421 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235079 814205925 /nfs/dbraw/zinc/20/59/25/814205925.db2.gz DJICKHLWXRVWFR-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP N#Cc1cc(Cl)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1 ZINC001160944556 814279427 /nfs/dbraw/zinc/27/94/27/814279427.db2.gz QUAQDBLGLWJCFA-UHFFFAOYSA-N 2 0 297.749 2.447 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398508 814282227 /nfs/dbraw/zinc/28/22/27/814282227.db2.gz PGKAAISLTDDHSF-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@@H](N)[C@@H](C(=O)OC)C1 ZINC001246929547 814429849 /nfs/dbraw/zinc/42/98/49/814429849.db2.gz FVFBUPRWSPLSSZ-MELADBBJSA-N 2 0 270.417 2.168 20 30 CEEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001246929546 814430072 /nfs/dbraw/zinc/43/00/72/814430072.db2.gz FVFBUPRWSPLSSZ-IHRRRGAJSA-N 2 0 270.417 2.168 20 30 CEEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC001173309214 815662793 /nfs/dbraw/zinc/66/27/93/815662793.db2.gz SQKUPCKCSNHUIT-UHFFFAOYSA-N 2 0 266.429 2.432 20 30 CEEDRP Cc1c[nH+]ccc1Nc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001174536022 816023897 /nfs/dbraw/zinc/02/38/97/816023897.db2.gz HNPVMACEPNVZAK-UHFFFAOYSA-N 2 0 284.388 2.477 20 30 CEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001175218938 816155133 /nfs/dbraw/zinc/15/51/33/816155133.db2.gz XXVQZFRXRMBODB-CVEARBPZSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175303890 816170732 /nfs/dbraw/zinc/17/07/32/816170732.db2.gz HWWHLDIADQYCIJ-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+]CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001206300924 816546092 /nfs/dbraw/zinc/54/60/92/816546092.db2.gz GCAAUZCPAZSKKA-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC001178939059 816816944 /nfs/dbraw/zinc/81/69/44/816816944.db2.gz XRZOHGPZJVMHJN-UHFFFAOYSA-N 2 0 293.455 2.067 20 30 CEEDRP C=CCC1([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000668552440 539196598 /nfs/dbraw/zinc/19/65/98/539196598.db2.gz MGEHPAXJEFICQW-HUUCEWRRSA-N 2 0 264.413 2.328 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170903798 344492668 /nfs/dbraw/zinc/49/26/68/344492668.db2.gz VBGKFNIQOYLZQL-CQSZACIVSA-N 2 0 289.427 2.320 20 30 CEEDRP C[C@H](C[NH2+][C@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCC1 ZINC000602518354 347064600 /nfs/dbraw/zinc/06/46/00/347064600.db2.gz QFLFNGZNWIXTLE-HZPDHXFCSA-N 2 0 293.455 2.407 20 30 CEEDRP C=CCOCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000347971624 344776147 /nfs/dbraw/zinc/77/61/47/344776147.db2.gz OIVKWANCGNVTFS-UHFFFAOYSA-N 2 0 266.429 2.387 20 30 CEEDRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602551877 347074069 /nfs/dbraw/zinc/07/40/69/347074069.db2.gz QUROFNMWDSKPBY-UHFFFAOYSA-N 2 0 272.396 2.165 20 30 CEEDRP Cn1cncc1CCCN1Cc2cccc(C#N)c2C1 ZINC000405109909 344883414 /nfs/dbraw/zinc/88/34/14/344883414.db2.gz MRXNVDHEQTVSDF-UHFFFAOYSA-N 2 0 266.348 2.240 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579984 345266657 /nfs/dbraw/zinc/26/66/57/345266657.db2.gz DFXWUUXPOVZLLB-NHYWBVRUSA-N 2 0 273.355 2.490 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000596649726 346071335 /nfs/dbraw/zinc/07/13/35/346071335.db2.gz GGRSPHYBYUCHPE-HZPDHXFCSA-N 2 0 257.381 2.350 20 30 CEEDRP CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000598585429 346377911 /nfs/dbraw/zinc/37/79/11/346377911.db2.gz COQBIPIOYILLHO-MRXNPFEDSA-N 2 0 293.455 2.095 20 30 CEEDRP C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000598598797 346381096 /nfs/dbraw/zinc/38/10/96/346381096.db2.gz VWSOIBSXOMHMCJ-RBSFLKMASA-N 2 0 290.411 2.067 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000598683294 346400135 /nfs/dbraw/zinc/40/01/35/346400135.db2.gz REDFTAHRMNJEMQ-OKZBNKHCSA-N 2 0 299.418 2.277 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598716176 346406395 /nfs/dbraw/zinc/40/63/95/346406395.db2.gz ZCUBOCSSUSCRKN-HZPDHXFCSA-N 2 0 295.471 2.389 20 30 CEEDRP C=CC(C)(C)CC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000600700847 346673604 /nfs/dbraw/zinc/67/36/04/346673604.db2.gz FJKSDDKBWPLDIY-AWEZNQCLSA-N 2 0 296.455 2.500 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000600768904 346686408 /nfs/dbraw/zinc/68/64/08/346686408.db2.gz HRUHKQJTUSHHIK-DAXOMENPSA-N 2 0 289.379 2.012 20 30 CEEDRP C[C@H]1C[C@H](C[N@@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771435 346687056 /nfs/dbraw/zinc/68/70/56/346687056.db2.gz FRYDTHAEMKDENS-LSDHHAIUSA-N 2 0 283.419 2.499 20 30 CEEDRP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000600770461 346687256 /nfs/dbraw/zinc/68/72/56/346687256.db2.gz ZUMCLBAFYWQLNZ-LLVKDONJSA-N 2 0 255.321 2.461 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000609140470 347628087 /nfs/dbraw/zinc/62/80/87/347628087.db2.gz CVLLJEGLUZSEAM-UHFFFAOYSA-N 2 0 275.396 2.410 20 30 CEEDRP N#Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995107 347730402 /nfs/dbraw/zinc/73/04/02/347730402.db2.gz HQYXALGZFMKMAU-MAUKXSAKSA-N 2 0 296.418 2.402 20 30 CEEDRP C[C@H](CCC#N)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000618887339 349060243 /nfs/dbraw/zinc/06/02/43/349060243.db2.gz UZSUUHIIVJLZIT-SJORKVTESA-N 2 0 292.471 2.028 20 30 CEEDRP C[N@H+](CCCSCC#N)CCC[NH+]1CCCC1 ZINC000337274963 366120234 /nfs/dbraw/zinc/12/02/34/366120234.db2.gz PZVAFMNADVSRAC-UHFFFAOYSA-N 2 0 255.431 2.051 20 30 CEEDRP CCCNC(=[NH2+])NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136873144 366528906 /nfs/dbraw/zinc/52/89/06/366528906.db2.gz HUZXEHRHQGUGAF-GOEBONIOSA-N 2 0 288.439 2.211 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1C#N ZINC000151066700 366615722 /nfs/dbraw/zinc/61/57/22/366615722.db2.gz XYWBKCYTJHMNPK-SWLSCSKDSA-N 2 0 285.391 2.282 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C2CC[NH+](CC)CC2)cc1 ZINC000113314519 364887113 /nfs/dbraw/zinc/88/71/13/364887113.db2.gz ASTWYLBXHPBIEI-UHFFFAOYSA-N 2 0 272.392 2.273 20 30 CEEDRP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000582958735 366981867 /nfs/dbraw/zinc/98/18/67/366981867.db2.gz ZMMCECMBYSLQSW-CJNGLKHVSA-N 2 0 257.381 2.078 20 30 CEEDRP CN(C)C(=[NH+]Cc1ccccc1C[NH+]1CCCC1)N(C)C ZINC000170908941 367445473 /nfs/dbraw/zinc/44/54/73/367445473.db2.gz WHNKAAGJWCNPOV-UHFFFAOYSA-N 2 0 288.439 2.262 20 30 CEEDRP CC1CC[NH+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)CC1 ZINC000170911228 367446682 /nfs/dbraw/zinc/44/66/82/367446682.db2.gz CLDXYHLZMXMPCT-UHFFFAOYSA-N 2 0 288.439 2.295 20 30 CEEDRP N#Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000335538843 212235669 /nfs/dbraw/zinc/23/56/69/212235669.db2.gz MVINUEXWKKAJHH-UHFFFAOYSA-N 2 0 255.365 2.134 20 30 CEEDRP C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1O ZINC000346693813 368776077 /nfs/dbraw/zinc/77/60/77/368776077.db2.gz PVDSDYLQCXMFFA-GXTWGEPZSA-N 2 0 290.407 2.298 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000350141077 369514554 /nfs/dbraw/zinc/51/45/54/369514554.db2.gz BOUGMTJFHTUAPM-UHFFFAOYSA-N 2 0 263.410 2.393 20 30 CEEDRP C=CC[C@H](CC)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639132162 371011047 /nfs/dbraw/zinc/01/10/47/371011047.db2.gz GIYOUHROBRZSOF-ZDUSSCGKSA-N 2 0 254.418 2.166 20 30 CEEDRP C=CC(C)(C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639227954 371120282 /nfs/dbraw/zinc/12/02/82/371120282.db2.gz HHFGTXOQOFNBPR-UHFFFAOYSA-N 2 0 254.418 2.024 20 30 CEEDRP N#Cc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000253202352 371503622 /nfs/dbraw/zinc/50/36/22/371503622.db2.gz YTZSJSGDWFHBRR-NEPJUHHUSA-N 2 0 261.394 2.336 20 30 CEEDRP CCC#C[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255217 373001003 /nfs/dbraw/zinc/00/10/03/373001003.db2.gz FWOBJKGUAVAVKG-QGZVFWFLSA-N 2 0 291.483 2.280 20 30 CEEDRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000369685036 373488780 /nfs/dbraw/zinc/48/87/80/373488780.db2.gz ZEQNTKJVKWZINA-AWEZNQCLSA-N 2 0 283.379 2.010 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075566 374481824 /nfs/dbraw/zinc/48/18/24/374481824.db2.gz VHIPNBFCSYWJLL-OAHLLOKOSA-N 2 0 266.429 2.121 20 30 CEEDRP COc1cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])ccc1C#N ZINC000414800033 375984505 /nfs/dbraw/zinc/98/45/05/375984505.db2.gz KMOURRLGFBIRIL-ZFWWWQNUSA-N 2 0 273.380 2.174 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000436289864 377822474 /nfs/dbraw/zinc/82/24/74/377822474.db2.gz IKPZYESMSCNASW-JKJDWNRSSA-N 2 0 266.429 2.286 20 30 CEEDRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449075998 378197729 /nfs/dbraw/zinc/19/77/29/378197729.db2.gz GCINBGSYEVQBKE-KLAILNCOSA-N 2 0 292.471 2.074 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C#N)cc1F ZINC000350267045 219003887 /nfs/dbraw/zinc/00/38/87/219003887.db2.gz NSTJWWZMZWQNDW-UHFFFAOYSA-N 2 0 293.386 2.145 20 30 CEEDRP COCC[N@H+](C)CCCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000347483639 533312890 /nfs/dbraw/zinc/31/28/90/533312890.db2.gz QAVCSQFIMXKVNH-UHFFFAOYSA-N 2 0 293.455 2.361 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000355772020 394526485 /nfs/dbraw/zinc/52/64/85/394526485.db2.gz YGYFKWSLJKLBAS-UHFFFAOYSA-N 2 0 297.406 2.027 20 30 CEEDRP C[C@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCCCC3)cc2)N1 ZINC000262683742 394623481 /nfs/dbraw/zinc/62/34/81/394623481.db2.gz XNYGWRYGEFMQLM-AWEZNQCLSA-N 2 0 286.423 2.110 20 30 CEEDRP CNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000267464604 394679842 /nfs/dbraw/zinc/67/98/42/394679842.db2.gz WBKIIWMYALIRNY-HIFRSBDPSA-N 2 0 276.428 2.286 20 30 CEEDRP C[NH+]=C(NCCC[NH+]1CCCCCC1)NCc1ccco1 ZINC000103337596 394714562 /nfs/dbraw/zinc/71/45/62/394714562.db2.gz BRDGWOGHJBEDTL-UHFFFAOYSA-N 2 0 292.427 2.211 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362309842 394852582 /nfs/dbraw/zinc/85/25/82/394852582.db2.gz NYKBQXMUQWFGOI-IXDOHACOSA-N 2 0 296.455 2.058 20 30 CEEDRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000423348595 394895962 /nfs/dbraw/zinc/89/59/62/394895962.db2.gz UJJFFYXNDYGVRK-LLVKDONJSA-N 2 0 259.328 2.268 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC000339097240 394943304 /nfs/dbraw/zinc/94/33/04/394943304.db2.gz XDSKYPYBZBHPGY-VQHPVUNQSA-N 2 0 293.455 2.405 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523683 394945263 /nfs/dbraw/zinc/94/52/63/394945263.db2.gz YZPAJKLDYMWNJF-GVXVVHGQSA-N 2 0 261.344 2.475 20 30 CEEDRP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1C#N ZINC000443971890 395408314 /nfs/dbraw/zinc/40/83/14/395408314.db2.gz WOXOKRXZOQDUGM-HNNXBMFYSA-N 2 0 269.392 2.441 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792873 395755440 /nfs/dbraw/zinc/75/54/40/395755440.db2.gz CJPQRPNQOQSYNS-ZMSDIMECSA-N 2 0 277.456 2.005 20 30 CEEDRP CCC#C[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000650193482 400833460 /nfs/dbraw/zinc/83/34/60/400833460.db2.gz HOEVUFCZQIRIHK-MRXNPFEDSA-N 2 0 278.440 2.223 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCC(C)(C)C#N ZINC000345734976 289334074 /nfs/dbraw/zinc/33/40/74/289334074.db2.gz ZJMGHFZTVICMAD-ILXRZTDVSA-N 2 0 279.428 2.110 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000661114801 415101920 /nfs/dbraw/zinc/10/19/20/415101920.db2.gz MONALUYMTXKCHU-KFWWJZLASA-N 2 0 254.418 2.024 20 30 CEEDRP C=CC[C@]1(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662422482 415834914 /nfs/dbraw/zinc/83/49/14/415834914.db2.gz PXPIAYYSWJKDMT-BLLLJJGKSA-N 2 0 273.380 2.343 20 30 CEEDRP CN(CCC#N)c1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000072659000 260277541 /nfs/dbraw/zinc/27/75/41/260277541.db2.gz DZQAQKNKTJZMIU-UHFFFAOYSA-N 2 0 274.412 2.078 20 30 CEEDRP CC[NH+](CC)[C@@H](C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288772772 263106039 /nfs/dbraw/zinc/10/60/39/263106039.db2.gz VCBXPFMKYITQLP-JTQLQIEISA-N 2 0 284.354 2.422 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)C[NH+](C)C)c1 ZINC000291909238 263126385 /nfs/dbraw/zinc/12/63/85/263126385.db2.gz LXANJVPLKNVSGK-CYBMUJFWSA-N 2 0 262.401 2.228 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414965016 263168898 /nfs/dbraw/zinc/16/88/98/263168898.db2.gz VMBXUWHVCVHCOY-BBRMVZONSA-N 2 0 260.381 2.339 20 30 CEEDRP CSC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC[NH+](C)CC1 ZINC000353652573 263308340 /nfs/dbraw/zinc/30/83/40/263308340.db2.gz AYMTXITZHVIDBT-STQMWFEESA-N 2 0 267.442 2.096 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356265799 266083650 /nfs/dbraw/zinc/08/36/50/266083650.db2.gz FERNTFLFULQKIB-CQSZACIVSA-N 2 0 295.471 2.310 20 30 CEEDRP N#Cc1ccc(C2([NH2+]CC3CC[NH2+]CC3)CCOCC2)cc1 ZINC000530233375 268211127 /nfs/dbraw/zinc/21/11/27/268211127.db2.gz FGRMWLUSTJGICL-UHFFFAOYSA-N 2 0 299.418 2.153 20 30 CEEDRP C=CCc1cc(C[NH2+]C[C@H](C)C[NH2+]C)cc(OC)c1O ZINC000414841428 328233762 /nfs/dbraw/zinc/23/37/62/328233762.db2.gz ODVCBFBHRDNVFS-GFCCVEGCSA-N 2 0 278.396 2.074 20 30 CEEDRP CC1CC[NH+](CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288764548 328253680 /nfs/dbraw/zinc/25/36/80/328253680.db2.gz SYGNBRGNAOETFX-UHFFFAOYSA-N 2 0 296.365 2.423 20 30 CEEDRP C[C@@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCCCC2)N1 ZINC000262478520 330016427 /nfs/dbraw/zinc/01/64/27/330016427.db2.gz COZWTPOMDHEXDU-CQSZACIVSA-N 2 0 286.423 2.110 20 30 CEEDRP C=CCCCC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423050633 330167515 /nfs/dbraw/zinc/16/75/15/330167515.db2.gz LPGXMCYLCZXSGP-CQSZACIVSA-N 2 0 282.428 2.254 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000423093306 330169507 /nfs/dbraw/zinc/16/95/07/330169507.db2.gz GYJDMWZTUYNRPT-QPSCCSFWSA-N 2 0 252.402 2.217 20 30 CEEDRP C=CCC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])CCCC1 ZINC000423152696 330173050 /nfs/dbraw/zinc/17/30/50/330173050.db2.gz GIHMEJLXYZKZND-RBSFLKMASA-N 2 0 266.429 2.465 20 30 CEEDRP C=C(C)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000154013862 330651061 /nfs/dbraw/zinc/65/10/61/330651061.db2.gz SZFFAIFRKVDZHR-HZPDHXFCSA-N 2 0 265.445 2.053 20 30 CEEDRP C#C[C@@H](CC)NC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000491801656 332355902 /nfs/dbraw/zinc/35/59/02/332355902.db2.gz DDTJKLYSRBWGQE-INIZCTEOSA-N 2 0 298.434 2.177 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186585720 333163218 /nfs/dbraw/zinc/16/32/18/333163218.db2.gz HEWFINOFKOOTJL-ARFHVFGLSA-N 2 0 267.461 2.203 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000248481558 334303687 /nfs/dbraw/zinc/30/36/87/334303687.db2.gz BGIGFKVRBOBWFI-UAGQMJEPSA-N 2 0 274.408 2.176 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000248481557 334303809 /nfs/dbraw/zinc/30/38/09/334303809.db2.gz BGIGFKVRBOBWFI-OIISXLGYSA-N 2 0 274.408 2.176 20 30 CEEDRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000414838877 533876426 /nfs/dbraw/zinc/87/64/26/533876426.db2.gz LTPKQAAHUUQMFK-CYBMUJFWSA-N 2 0 273.380 2.046 20 30 CEEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000347040589 526899674 /nfs/dbraw/zinc/89/96/74/526899674.db2.gz KRZOVJPKHASBFS-CZUORRHYSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000344773309 527199115 /nfs/dbraw/zinc/19/91/15/527199115.db2.gz ONYCLUCDWURLGG-CALCHBBNSA-N 2 0 279.472 2.443 20 30 CEEDRP C=C[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000353563689 527440143 /nfs/dbraw/zinc/44/01/43/527440143.db2.gz GBCCAITUKPVGTN-OOKSDGMUSA-N 2 0 286.419 2.319 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C ZINC000947551588 613791322 /nfs/dbraw/zinc/79/13/22/613791322.db2.gz MTHJODTWWYXJBN-HIFRSBDPSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001022077298 623689652 /nfs/dbraw/zinc/68/96/52/623689652.db2.gz NTHBDIWNPXDRMB-GASCZTMLSA-N 2 0 293.455 2.064 20 30 CEEDRP C[C@@H](CNC(=[NH2+])NC1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000104167955 624320183 /nfs/dbraw/zinc/32/01/83/624320183.db2.gz NMBZDRLBSGQQHA-KGLIPLIRSA-N 2 0 280.460 2.344 20 30 CEEDRP CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000104172225 624320352 /nfs/dbraw/zinc/32/03/52/624320352.db2.gz GZFJRNMRCQQPGP-ZDUSSCGKSA-N 2 0 290.411 2.152 20 30 CEEDRP C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000820825312 634542254 /nfs/dbraw/zinc/54/22/54/634542254.db2.gz ZOXZJUNVEMMHEO-MQVJKMGUSA-N 2 0 264.413 2.021 20 30 CEEDRP C=CCN1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902347395 634586235 /nfs/dbraw/zinc/58/62/35/634586235.db2.gz UBNXJVNYJZPWMU-HNNXBMFYSA-N 2 0 265.445 2.005 20 30 CEEDRP C#CC[NH+](C)CCCN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000328245080 627870133 /nfs/dbraw/zinc/87/01/33/627870133.db2.gz HZWBALYZYNWHOZ-HKUYNNGSSA-N 2 0 299.462 2.194 20 30 CEEDRP CCC(CC)[C@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C ZINC000104161076 628630306 /nfs/dbraw/zinc/63/03/06/628630306.db2.gz RFPRFRZBUJDKRD-LBPRGKRZSA-N 2 0 256.438 2.056 20 30 CEEDRP CSc1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1C#N ZINC000925774555 628789733 /nfs/dbraw/zinc/78/97/33/628789733.db2.gz WNKCZBVDKWKNQH-MNOVXSKESA-N 2 0 263.410 2.496 20 30 CEEDRP CC[C@]1(C)CCN(C(NCC(C)(C)C[NH+](C)C)=[NH+]C)C1 ZINC000261861376 629286461 /nfs/dbraw/zinc/28/64/61/629286461.db2.gz ZJHILKZVSKKEQB-MRXNPFEDSA-N 2 0 282.476 2.272 20 30 CEEDRP C#CC[NH+]1CCC(Nc2cc(C)[nH+]c3ccccc23)CC1 ZINC000895803135 630354428 /nfs/dbraw/zinc/35/44/28/630354428.db2.gz CXIHVLBDAGVTGK-UHFFFAOYSA-N 2 0 279.387 2.475 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896208417 630496924 /nfs/dbraw/zinc/49/69/24/630496924.db2.gz HASHPXKPNHFNJV-OAHLLOKOSA-N 2 0 293.455 2.016 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000303253929 631079113 /nfs/dbraw/zinc/07/91/13/631079113.db2.gz DKXHVQRETFUKFW-KKUMJFAQSA-N 2 0 282.476 2.447 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000809612001 632110879 /nfs/dbraw/zinc/11/08/79/632110879.db2.gz SYCYDKOTSOCKNN-KRWDZBQOSA-N 2 0 256.393 2.489 20 30 CEEDRP C#CC[N@H+](C)CCCNc1cc(C)[nH+]c2ccc(F)cc12 ZINC000814929766 632932559 /nfs/dbraw/zinc/93/25/59/632932559.db2.gz VZAWVWREOKGFIQ-UHFFFAOYSA-N 2 0 285.366 2.471 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000817916968 633775726 /nfs/dbraw/zinc/77/57/26/633775726.db2.gz BVDAAGOXWMZPPD-ZBFHGGJFSA-N 2 0 273.380 2.196 20 30 CEEDRP N#CC1CCC(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000903479348 635148599 /nfs/dbraw/zinc/14/85/99/635148599.db2.gz UQQJZUOWXYHKFG-FIYWTHMPSA-N 2 0 289.345 2.385 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903791087 635262165 /nfs/dbraw/zinc/26/21/65/635262165.db2.gz LWWYSBXZKBBIBE-CQSZACIVSA-N 2 0 254.418 2.010 20 30 CEEDRP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1cc(C#N)cs1 ZINC000903825910 635293319 /nfs/dbraw/zinc/29/33/19/635293319.db2.gz DWIUDNSSLFTEBM-LBPRGKRZSA-N 2 0 263.410 2.441 20 30 CEEDRP C#CCCCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000876715357 650408943 /nfs/dbraw/zinc/40/89/43/650408943.db2.gz MQCWZEQHWWRFDY-GOSISDBHSA-N 2 0 291.483 2.282 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000876778016 650428935 /nfs/dbraw/zinc/42/89/35/650428935.db2.gz WSHISZLWVYOVPQ-CYBMUJFWSA-N 2 0 299.777 2.296 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C#N ZINC000843339808 640393659 /nfs/dbraw/zinc/39/36/59/640393659.db2.gz DKRXWTTXUJEXEH-VNQPRFMTSA-N 2 0 285.391 2.045 20 30 CEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993609406 640659203 /nfs/dbraw/zinc/65/92/03/640659203.db2.gz BNQFRWYMNCPQDP-CJNGLKHVSA-N 2 0 298.390 2.103 20 30 CEEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC1 ZINC000849076283 642260524 /nfs/dbraw/zinc/26/05/24/642260524.db2.gz CJZRJYICPMPSLT-MRXNPFEDSA-N 2 0 292.471 2.359 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004207113 643116767 /nfs/dbraw/zinc/11/67/67/643116767.db2.gz OMGHWXLEUYBCOJ-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[N@@H+](Cc1cccs1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301356 643649382 /nfs/dbraw/zinc/64/93/82/643649382.db2.gz FXVXPWQYCPMPRJ-CYBMUJFWSA-N 2 0 278.421 2.115 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923480733 643731718 /nfs/dbraw/zinc/73/17/18/643731718.db2.gz ZYAQBXAWKZSWGD-CQSZACIVSA-N 2 0 257.381 2.346 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000878158774 651018189 /nfs/dbraw/zinc/01/81/89/651018189.db2.gz OEFQZKLRNVFIGE-LSDHHAIUSA-N 2 0 254.418 2.384 20 30 CEEDRP C#CCOc1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000768301690 646105107 /nfs/dbraw/zinc/10/51/07/646105107.db2.gz IKWHOKJZLXWFCL-UHFFFAOYSA-N 2 0 286.419 2.472 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000769943385 646337653 /nfs/dbraw/zinc/33/76/53/646337653.db2.gz KORLJHKCOXSLRV-DLBZAZTESA-N 2 0 298.434 2.220 20 30 CEEDRP c1nncn1[NH+]=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115236 647500912 /nfs/dbraw/zinc/50/09/12/647500912.db2.gz KERHYSAQCUFJPD-HZPDHXFCSA-N 2 0 295.390 2.414 20 30 CEEDRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000873290498 649628851 /nfs/dbraw/zinc/62/88/51/649628851.db2.gz FFDNMVBHFGMIHI-WMLDXEAASA-N 2 0 299.418 2.368 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291895 649629485 /nfs/dbraw/zinc/62/94/85/649629485.db2.gz NMOLLNDQNSCSKB-CVEARBPZSA-N 2 0 278.440 2.480 20 30 CEEDRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000873292148 649629561 /nfs/dbraw/zinc/62/95/61/649629561.db2.gz OMMXDHBGFUTMDT-WMLDXEAASA-N 2 0 299.418 2.368 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@H]1CCCO1 ZINC000883173163 652389103 /nfs/dbraw/zinc/38/91/03/652389103.db2.gz DMAGRUIOSKIPFI-OWCLPIDISA-N 2 0 266.429 2.432 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001087523252 805665433 /nfs/dbraw/zinc/66/54/33/805665433.db2.gz OOAPVPXGLXUDJO-ARFHVFGLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271885098 806127644 /nfs/dbraw/zinc/12/76/44/806127644.db2.gz MQVJBKRPCXLROP-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267749280 803705638 /nfs/dbraw/zinc/70/56/38/803705638.db2.gz KKCDRTSZKSWEAH-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001267841668 803769826 /nfs/dbraw/zinc/76/98/26/803769826.db2.gz DDPKBVPOOHPACM-HNNXBMFYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001268042313 804240485 /nfs/dbraw/zinc/24/04/85/804240485.db2.gz OHINIJCXWUZIGV-UHFFFAOYSA-N 2 0 293.455 2.067 20 30 CEEDRP C=CCCC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167835097 804425329 /nfs/dbraw/zinc/42/53/29/804425329.db2.gz ACCIRIGWXDVJRT-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCCC1 ZINC001268118269 804456228 /nfs/dbraw/zinc/45/62/28/804456228.db2.gz JBLUVFZAQAMOGX-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282168101 804545285 /nfs/dbraw/zinc/54/52/85/804545285.db2.gz PNAMEZUFPZLRLK-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001268244390 804568819 /nfs/dbraw/zinc/56/88/19/804568819.db2.gz BLIJYDNOFOWNHJ-UHFFFAOYSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001268748097 804958220 /nfs/dbraw/zinc/95/82/20/804958220.db2.gz DJUAYIGYFINBBQ-HOTGVXAUSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268797811 804974868 /nfs/dbraw/zinc/97/48/68/804974868.db2.gz YLWOATGNOBDHTD-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC001119516256 815124280 /nfs/dbraw/zinc/12/42/80/815124280.db2.gz SLFKGSFRPVNCBR-UAGQMJEPSA-N 2 0 278.440 2.003 20 30 CEEDRP C=C(C)C[N@@H+](CC)Cc1cccc(N2CC[NH2+]CC2)c1 ZINC001235950240 807898433 /nfs/dbraw/zinc/89/84/33/807898433.db2.gz WJXFFIXXOTYKLQ-UHFFFAOYSA-N 2 0 273.424 2.494 20 30 CEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171596959 815202957 /nfs/dbraw/zinc/20/29/57/815202957.db2.gz SKPRRSBKHYDJIB-OAHLLOKOSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112901 815299636 /nfs/dbraw/zinc/29/96/36/815299636.db2.gz CTHDBIQZWDQSEU-YVSFHVDLSA-N 2 0 277.456 2.242 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034736174 809678276 /nfs/dbraw/zinc/67/82/76/809678276.db2.gz RSUTZHAMSGEQDA-JYJNAYRXSA-N 2 0 293.455 2.064 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC001172297377 815388180 /nfs/dbraw/zinc/38/81/80/815388180.db2.gz OTHLGNDFOIIUCD-ZDUSSCGKSA-N 2 0 257.381 2.302 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157886477 812513018 /nfs/dbraw/zinc/51/30/18/812513018.db2.gz HWSDKCVDWJFFNI-HOTGVXAUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106360 812787761 /nfs/dbraw/zinc/78/77/61/812787761.db2.gz TYRNYIFSRLZAJV-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435384 812849211 /nfs/dbraw/zinc/84/92/11/812849211.db2.gz CKNXRBWBINOMKO-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584530 813293243 /nfs/dbraw/zinc/29/32/43/813293243.db2.gz UYCLXBPLPDGMJA-CABCVRRESA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772901 813323674 /nfs/dbraw/zinc/32/36/74/813323674.db2.gz IYWFVKNPIPLTLY-KBPBESRZSA-N 2 0 283.460 2.166 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170783896 813353066 /nfs/dbraw/zinc/35/30/66/813353066.db2.gz ASVMOVDDSIMZSX-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171226473 814192357 /nfs/dbraw/zinc/19/23/57/814192357.db2.gz GZERDTYTSJEAHD-MRXNPFEDSA-N 2 0 295.471 2.171 20 30 CEEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232616 814202813 /nfs/dbraw/zinc/20/28/13/814202813.db2.gz UNMZZAYNEXIDBA-OLMNPRSZSA-N 2 0 283.419 2.373 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398507 814282027 /nfs/dbraw/zinc/28/20/27/814282027.db2.gz PGKAAISLTDDHSF-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171316822 814506915 /nfs/dbraw/zinc/50/69/15/814506915.db2.gz BFECVWUDKXOTPM-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450559 814709350 /nfs/dbraw/zinc/70/93/50/814709350.db2.gz FXNDGCVCRNFEAC-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C[NH+]1CC2(C1)CC[NH+](C1CCC(CC#N)CC1)CC2 ZINC001173337035 815680228 /nfs/dbraw/zinc/68/02/28/815680228.db2.gz WLZCQRCVQNTSGR-UHFFFAOYSA-N 2 0 261.413 2.486 20 30 CEEDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]2C1 ZINC001139701787 816088151 /nfs/dbraw/zinc/08/81/51/816088151.db2.gz QTAXLGOEWOSZGT-ZBFHGGJFSA-N 2 0 294.402 2.423 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174930667 816105291 /nfs/dbraw/zinc/10/52/91/816105291.db2.gz XPDZCEMYJSXYKE-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928941 816105434 /nfs/dbraw/zinc/10/54/34/816105434.db2.gz NLUCLJGUOGMKIB-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906753 816107564 /nfs/dbraw/zinc/10/75/64/816107564.db2.gz XCEPCMZJDKGOHT-PMPSAXMXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175256771 816163450 /nfs/dbraw/zinc/16/34/50/816163450.db2.gz OJDPQCVBWDWPQC-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176760361 816472687 /nfs/dbraw/zinc/47/26/87/816472687.db2.gz WATDGYGMPWQFMC-OAHLLOKOSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176759540 816472888 /nfs/dbraw/zinc/47/28/88/816472888.db2.gz JHVNIVFJIPILQQ-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178818268 816804734 /nfs/dbraw/zinc/80/47/34/816804734.db2.gz BJAYKGSAGLJATE-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000042393523 362091405 /nfs/dbraw/zinc/09/14/05/362091405.db2.gz AXTNSCWYHLNJKZ-UHFFFAOYSA-N 2 0 257.381 2.332 20 30 CEEDRP C[NH+](C)CC1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000042393596 362091411 /nfs/dbraw/zinc/09/14/11/362091411.db2.gz AECQXFUAMYUKSJ-UHFFFAOYSA-N 2 0 287.407 2.211 20 30 CEEDRP C=CCCC[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000091617331 344168417 /nfs/dbraw/zinc/16/84/17/344168417.db2.gz SGZJYMMWGJWDPX-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401167640 344866985 /nfs/dbraw/zinc/86/69/85/344866985.db2.gz VRDQDLZYZQVTIN-ARFHVFGLSA-N 2 0 255.365 2.036 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000591570818 345264706 /nfs/dbraw/zinc/26/47/06/345264706.db2.gz RVGMVRKAIVETDQ-SWLSCSKDSA-N 2 0 261.344 2.304 20 30 CEEDRP C[C@H]1C[C@H](C[N@@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581061 345650743 /nfs/dbraw/zinc/65/07/43/345650743.db2.gz JDJPCGDHZYTUPX-GXTWGEPZSA-N 2 0 255.365 2.262 20 30 CEEDRP C[N@H+](CCc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000595886787 345906206 /nfs/dbraw/zinc/90/62/06/345906206.db2.gz YZKROAAHQIVPPZ-SJPCQFCGSA-N 2 0 269.392 2.316 20 30 CEEDRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)cc1 ZINC000596364430 346008200 /nfs/dbraw/zinc/00/82/00/346008200.db2.gz NZLYIDBRZWXMFI-AWEZNQCLSA-N 2 0 274.412 2.242 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718362 346677283 /nfs/dbraw/zinc/67/72/83/346677283.db2.gz WWQBHTLFFWPUGS-CVEARBPZSA-N 2 0 293.455 2.285 20 30 CEEDRP C[NH+]1CCC([C@H]2CCN(Cc3nc(C#N)cs3)C2)CC1 ZINC000356315560 370655524 /nfs/dbraw/zinc/65/55/24/370655524.db2.gz IGHNTMXWNNFMTK-ZDUSSCGKSA-N 2 0 290.436 2.178 20 30 CEEDRP N#CCCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847254 347222693 /nfs/dbraw/zinc/22/26/93/347222693.db2.gz VCRJKXYODVBBGH-UHFFFAOYSA-N 2 0 258.369 2.288 20 30 CEEDRP CC(C)(C#N)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000614160907 348152350 /nfs/dbraw/zinc/15/23/50/348152350.db2.gz TXBSINAZNOXBMW-GJZGRUSLSA-N 2 0 269.392 2.139 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407468 350011220 /nfs/dbraw/zinc/01/12/20/350011220.db2.gz GYIHVYWXMPUICY-INIZCTEOSA-N 2 0 279.472 2.489 20 30 CEEDRP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848831 366406262 /nfs/dbraw/zinc/40/62/62/366406262.db2.gz HZFYHIVIHVVQBF-KDOFPFPSSA-N 2 0 299.418 2.290 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000334992701 364320744 /nfs/dbraw/zinc/32/07/44/364320744.db2.gz KCGVOLCRYVAEPX-INIZCTEOSA-N 2 0 255.365 2.134 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246340105 370948035 /nfs/dbraw/zinc/94/80/35/370948035.db2.gz GVJLDKAWJPGCPV-WMLDXEAASA-N 2 0 287.407 2.257 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000634999883 369035782 /nfs/dbraw/zinc/03/57/82/369035782.db2.gz BOVWBLRZKKQRPG-UKRRQHHQSA-N 2 0 260.381 2.278 20 30 CEEDRP C=C(Cl)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363797547 261269516 /nfs/dbraw/zinc/26/95/16/261269516.db2.gz UZIHGJKFNLXFEJ-UHFFFAOYSA-N 2 0 285.863 2.088 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000264076265 371962914 /nfs/dbraw/zinc/96/29/14/371962914.db2.gz FRLJDGGNUGSMIF-CYBMUJFWSA-N 2 0 290.411 2.154 20 30 CEEDRP C=CCNC(=[NH2+])NCc1ccccc1C[N@@H+](C)C(C)C ZINC000264087256 371967409 /nfs/dbraw/zinc/96/74/09/371967409.db2.gz KDIGITBNWBKFGC-UHFFFAOYSA-N 2 0 274.412 2.117 20 30 CEEDRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128669 372350738 /nfs/dbraw/zinc/35/07/38/372350738.db2.gz HGSGXQIEAYYUCW-SJORKVTESA-N 2 0 269.392 2.474 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367613432 373168253 /nfs/dbraw/zinc/16/82/53/373168253.db2.gz FNHXZXSCENXGGJ-KZNAEPCWSA-N 2 0 291.483 2.489 20 30 CEEDRP C#CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280629231 375266739 /nfs/dbraw/zinc/26/67/39/375266739.db2.gz YTAMLVFQQJMFNV-CALCHBBNSA-N 2 0 254.377 2.074 20 30 CEEDRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020104 375355446 /nfs/dbraw/zinc/35/54/46/375355446.db2.gz DSDPURPWPGVSAR-CZUORRHYSA-N 2 0 257.381 2.182 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786764 375969981 /nfs/dbraw/zinc/96/99/81/375969981.db2.gz UUKYRQUBRRQXBR-SJORKVTESA-N 2 0 299.418 2.388 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800032 375984651 /nfs/dbraw/zinc/98/46/51/375984651.db2.gz KMOURRLGFBIRIL-UKRRQHHQSA-N 2 0 273.380 2.174 20 30 CEEDRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000292835703 377305013 /nfs/dbraw/zinc/30/50/13/377305013.db2.gz RRPNJCHFTHPBHY-CQSZACIVSA-N 2 0 261.394 2.147 20 30 CEEDRP CC(C)(C#N)C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000122320717 262347656 /nfs/dbraw/zinc/34/76/56/262347656.db2.gz IAJVVQRMIHNRSJ-UHFFFAOYSA-N 2 0 258.369 2.190 20 30 CEEDRP CC1CC[NH+](CCCC[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190773072 130145923 /nfs/dbraw/zinc/14/59/23/130145923.db2.gz IEHPCMUIGDWEEY-UHFFFAOYSA-N 2 0 288.439 2.498 20 30 CEEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000320661409 394546425 /nfs/dbraw/zinc/54/64/25/394546425.db2.gz QOGQSDPVYLCNKH-SOUVJXGZSA-N 2 0 254.418 2.214 20 30 CEEDRP C[C@@H]([NH2+]C(C)(C)CNC1=[NH+]CCN1C)c1ccccc1 ZINC000262680474 394623532 /nfs/dbraw/zinc/62/35/32/394623532.db2.gz VXVSALFFRYNMJY-CYBMUJFWSA-N 2 0 274.412 2.007 20 30 CEEDRP C=CCC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000338570409 394923273 /nfs/dbraw/zinc/92/32/73/394923273.db2.gz IJAZOLIJKVDUEG-QGZVFWFLSA-N 2 0 274.408 2.131 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000338942023 394934478 /nfs/dbraw/zinc/93/44/78/394934478.db2.gz OLBXLLHGFBFAAU-IAGOWNOFSA-N 2 0 291.439 2.113 20 30 CEEDRP N#C[C@H]1CC[C@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000338942024 394934595 /nfs/dbraw/zinc/93/45/95/394934595.db2.gz OLBXLLHGFBFAAU-IRXDYDNUSA-N 2 0 291.439 2.113 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC000339097239 394943337 /nfs/dbraw/zinc/94/33/37/394943337.db2.gz XDSKYPYBZBHPGY-TWMKSMIVSA-N 2 0 293.455 2.405 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]C1CC1)CC2 ZINC000423559141 394951924 /nfs/dbraw/zinc/95/19/24/394951924.db2.gz OIODDPMMNBLZNJ-MRXNPFEDSA-N 2 0 255.365 2.277 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000290089047 395094274 /nfs/dbraw/zinc/09/42/74/395094274.db2.gz MOQOKHYHLQUXSM-INIZCTEOSA-N 2 0 254.377 2.242 20 30 CEEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000178421892 395167463 /nfs/dbraw/zinc/16/74/63/395167463.db2.gz NPXZJRVCCLLIQG-ZDUSSCGKSA-N 2 0 286.423 2.244 20 30 CEEDRP CC(C)[NH+](CCCNC(=[NH2+])Nc1ccccn1)C(C)C ZINC000178587417 395170144 /nfs/dbraw/zinc/17/01/44/395170144.db2.gz VQKMBHPAXOXZFB-UHFFFAOYSA-N 2 0 277.416 2.317 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000651676845 401370114 /nfs/dbraw/zinc/37/01/14/401370114.db2.gz PRQQADMZTSLODS-DLBZAZTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@]1(C(=O)Nc2cccc(C[NH2+]C)c2)CCC[NH2+]1 ZINC000662399496 415823603 /nfs/dbraw/zinc/82/36/03/415823603.db2.gz OXAHNYVHPKVLQZ-MRXNPFEDSA-N 2 0 273.380 2.043 20 30 CEEDRP C[NH+]=C(NCc1ccoc1)NCC1([NH+](C)C)CCCCC1 ZINC000262871813 262790211 /nfs/dbraw/zinc/79/02/11/262790211.db2.gz DBACQWFDTQEGOA-UHFFFAOYSA-N 2 0 292.427 2.209 20 30 CEEDRP C[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000288807532 263106161 /nfs/dbraw/zinc/10/61/61/263106161.db2.gz ZYMNDMRMCVOFKC-LLVKDONJSA-N 2 0 296.365 2.423 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421340276 267155314 /nfs/dbraw/zinc/15/53/14/267155314.db2.gz ICGCAJKNPLSTGT-OAHLLOKOSA-N 2 0 293.386 2.144 20 30 CEEDRP C[C@@H](CCNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCCC1 ZINC000305801742 268001332 /nfs/dbraw/zinc/00/13/32/268001332.db2.gz DMPMSBUYFZLMOI-HNNXBMFYSA-N 2 0 280.460 2.298 20 30 CEEDRP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000332380647 274623947 /nfs/dbraw/zinc/62/39/47/274623947.db2.gz GMJNZDKWGRWGEG-WMLDXEAASA-N 2 0 298.434 2.257 20 30 CEEDRP CC(C)c1cccc(NC(=[NH2+])NCCC[NH+](C)C)c1 ZINC000264149571 328158065 /nfs/dbraw/zinc/15/80/65/328158065.db2.gz YWBYPVIVXYBSSW-UHFFFAOYSA-N 2 0 262.401 2.488 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414801741 328231740 /nfs/dbraw/zinc/23/17/40/328231740.db2.gz UQWITRUCOZITHE-GOEBONIOSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCOc1ccc(CN[C@H](C[NH3+])C2CC2)cc1OC ZINC000414814187 328232648 /nfs/dbraw/zinc/23/26/48/328232648.db2.gz ZCBPEDNYFOQFOT-CQSZACIVSA-N 2 0 276.380 2.087 20 30 CEEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000175212884 329166624 /nfs/dbraw/zinc/16/66/24/329166624.db2.gz FBGCNHAFZZKXCU-MRXNPFEDSA-N 2 0 292.471 2.028 20 30 CEEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)N1 ZINC000262682518 330026789 /nfs/dbraw/zinc/02/67/89/330026789.db2.gz WWAIJJBAJOCXLB-DYEKYZERSA-N 2 0 292.452 2.068 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422983460 330162814 /nfs/dbraw/zinc/16/28/14/330162814.db2.gz ZOQAQIIQSZANDJ-ZDUSSCGKSA-N 2 0 274.412 2.185 20 30 CEEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423126089 330171384 /nfs/dbraw/zinc/17/13/84/330171384.db2.gz APNVAEOFBMFWPJ-SOUVJXGZSA-N 2 0 266.429 2.335 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000424369928 330348169 /nfs/dbraw/zinc/34/81/69/330348169.db2.gz DCSPCPOFBZUIKG-UGUYLWEFSA-N 2 0 266.429 2.478 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CC1 ZINC000120167564 330385921 /nfs/dbraw/zinc/38/59/21/330385921.db2.gz XYHRNDRLDIQHCJ-RDJZCZTQSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000121036430 330395293 /nfs/dbraw/zinc/39/52/93/330395293.db2.gz ZJURXDAWALQXRP-INIZCTEOSA-N 2 0 266.429 2.025 20 30 CEEDRP C=C(C)COCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000537092262 330398517 /nfs/dbraw/zinc/39/85/17/330398517.db2.gz PQBAHSHBMUMLGI-UHFFFAOYSA-N 2 0 252.402 2.043 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000516046442 330486228 /nfs/dbraw/zinc/48/62/28/330486228.db2.gz GWJNKRZTRLVFJC-HOCLYGCPSA-N 2 0 264.413 2.042 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000449122392 330900237 /nfs/dbraw/zinc/90/02/37/330900237.db2.gz LGWUZGKUWSTLJK-JKSUJKDBSA-N 2 0 267.461 2.347 20 30 CEEDRP C[N@@H+]1CCCN(CCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000451123826 331016477 /nfs/dbraw/zinc/01/64/77/331016477.db2.gz BISCAYMNRTUKDR-UHFFFAOYSA-N 2 0 292.471 2.076 20 30 CEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC#Cc2ccccc2)CC1 ZINC000451976678 331049260 /nfs/dbraw/zinc/04/92/60/331049260.db2.gz BXDYFEAXXNLSIP-UHFFFAOYSA-N 2 0 299.462 2.044 20 30 CEEDRP C#CC[NH+]1CCC(c2nc(-c3ccc(C[NH3+])cc3)no2)CC1 ZINC000491673867 332280151 /nfs/dbraw/zinc/28/01/51/332280151.db2.gz WCOQOGACSWGYGT-UHFFFAOYSA-N 2 0 296.374 2.008 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186585702 333163233 /nfs/dbraw/zinc/16/32/33/333163233.db2.gz HEWFINOFKOOTJL-HRCADAONSA-N 2 0 267.461 2.203 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186585687 333163329 /nfs/dbraw/zinc/16/33/29/333163329.db2.gz HEWFINOFKOOTJL-XHSDSOJGSA-N 2 0 267.461 2.203 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338378 334279342 /nfs/dbraw/zinc/27/93/42/334279342.db2.gz ZOZTXVMGDPRNDJ-UONOGXRCSA-N 2 0 269.458 2.295 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925654591 628361382 /nfs/dbraw/zinc/36/13/82/628361382.db2.gz GCXPYWYFQDQCBC-RBGFHDKUSA-N 2 0 278.440 2.334 20 30 CEEDRP CCCCCCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925722224 628593471 /nfs/dbraw/zinc/59/34/71/628593471.db2.gz UEULUJLVFIVZKA-NMWPEEMBSA-N 2 0 254.418 2.299 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925728538 628651816 /nfs/dbraw/zinc/65/18/16/628651816.db2.gz DCLVTTZOFJPRAT-PYHGIMPFSA-N 2 0 266.429 2.321 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1C#N ZINC000925838085 628935784 /nfs/dbraw/zinc/93/57/84/628935784.db2.gz JTHUSRMBJMHITD-CZUORRHYSA-N 2 0 257.381 2.344 20 30 CEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924954050 629290962 /nfs/dbraw/zinc/29/09/62/629290962.db2.gz UDOOCMAGSPMHCR-JKSUJKDBSA-N 2 0 294.487 2.178 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000986427786 631239521 /nfs/dbraw/zinc/23/95/21/631239521.db2.gz UKCKUWQZEOXFGW-OCCSQVGLSA-N 2 0 298.390 2.332 20 30 CEEDRP C#C[C@@H](C)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000809683462 632126707 /nfs/dbraw/zinc/12/67/07/632126707.db2.gz BWGSNANHGRCVGZ-MRXNPFEDSA-N 2 0 285.435 2.330 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000900214631 633595487 /nfs/dbraw/zinc/59/54/87/633595487.db2.gz GJUMNMFAGDNIAM-HNNXBMFYSA-N 2 0 295.471 2.123 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948787 633794656 /nfs/dbraw/zinc/79/46/56/633794656.db2.gz LEYVETPHFMJKKB-CVEARBPZSA-N 2 0 257.381 2.360 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000817972381 633816188 /nfs/dbraw/zinc/81/61/88/633816188.db2.gz WMRPUMUMOHXMHM-HEHGZKQESA-N 2 0 273.380 2.238 20 30 CEEDRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(C#N)ccn1 ZINC000903017379 634927338 /nfs/dbraw/zinc/92/73/38/634927338.db2.gz SGGDVIGTMXQFHA-ZDUSSCGKSA-N 2 0 272.396 2.478 20 30 CEEDRP N#CC1CCC(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000903453912 635137017 /nfs/dbraw/zinc/13/70/17/635137017.db2.gz PEISFWAXVZJYBA-UYSNPLJNSA-N 2 0 261.413 2.392 20 30 CEEDRP C#CC1CC[NH+](CCCC[NH+]2CCC(C#C)CC2)CC1 ZINC000830342780 637041949 /nfs/dbraw/zinc/04/19/49/637041949.db2.gz AKDTWSAIEYZAFR-UHFFFAOYSA-N 2 0 272.436 2.457 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000876538162 650311442 /nfs/dbraw/zinc/31/14/42/650311442.db2.gz MUIXCUHPZKDVLD-BXKDBHETSA-N 2 0 267.760 2.115 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855528 638445934 /nfs/dbraw/zinc/44/59/34/638445934.db2.gz HYZKEVJUCKHPHS-PMPSAXMXSA-N 2 0 295.471 2.417 20 30 CEEDRP CC(C)CNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052656 642042317 /nfs/dbraw/zinc/04/23/17/642042317.db2.gz TUJNSMNZIFNLEJ-OAHLLOKOSA-N 2 0 290.455 2.457 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996687031 642127647 /nfs/dbraw/zinc/12/76/47/642127647.db2.gz FGBGZCHFHIHJAV-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C[NH+]=C(NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000848989782 642211191 /nfs/dbraw/zinc/21/11/91/642211191.db2.gz BDBZJYFRJBJABW-OKILXGFUSA-N 2 0 280.460 2.072 20 30 CEEDRP C[NH+]=C(NCCCCCCC[NH+](C)C)NCc1ccco1 ZINC000848998224 642217627 /nfs/dbraw/zinc/21/76/27/642217627.db2.gz HERQIFBHUQWOJL-UHFFFAOYSA-N 2 0 294.443 2.457 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000878301977 651059536 /nfs/dbraw/zinc/05/95/36/651059536.db2.gz FEIDNTHFOSGLRE-VPSFDDGASA-N 2 0 277.456 2.194 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000769192141 646222160 /nfs/dbraw/zinc/22/21/60/646222160.db2.gz DTNYEZXYRYGFMZ-UHFFFAOYSA-N 2 0 287.407 2.363 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@H]1CCC[NH2+]C1 ZINC000866698224 647872537 /nfs/dbraw/zinc/87/25/37/647872537.db2.gz PRRFTWABQSNSQS-INIZCTEOSA-N 2 0 257.381 2.032 20 30 CEEDRP C=C(C)CCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784329 649183616 /nfs/dbraw/zinc/18/36/16/649183616.db2.gz AMGNUEXRULMDIM-YHWZYXNKSA-N 2 0 251.374 2.324 20 30 CEEDRP C=CC(C)(C)CCC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000872242674 649326406 /nfs/dbraw/zinc/32/64/06/649326406.db2.gz FSBXFRHNLBGTGS-AWEZNQCLSA-N 2 0 254.418 2.025 20 30 CEEDRP C#CCCCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000878545031 651125791 /nfs/dbraw/zinc/12/57/91/651125791.db2.gz OOSQDPUKHWFMKZ-UHFFFAOYSA-N 2 0 287.407 2.406 20 30 CEEDRP C[C@H](CC[NH2+]Cc1ccc(N(C)CCC#N)cc1)[NH+](C)C ZINC000895300402 805796553 /nfs/dbraw/zinc/79/65/53/805796553.db2.gz WSPFJJBLNRYOAV-OAHLLOKOSA-N 2 0 288.439 2.466 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563351 806420499 /nfs/dbraw/zinc/42/04/99/806420499.db2.gz NHNPKJQEAMDNRT-PMPSAXMXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449418 811755790 /nfs/dbraw/zinc/75/57/90/811755790.db2.gz DKHIRJVNRZDURM-KRWDZBQOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[NH+](CC)CC)CC1 ZINC001167480571 802913638 /nfs/dbraw/zinc/91/36/38/802913638.db2.gz LKXAQQMAPAPXTI-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266853069 802943061 /nfs/dbraw/zinc/94/30/61/802943061.db2.gz DSSMFULFFXYHET-HZPDHXFCSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167814755 804360377 /nfs/dbraw/zinc/36/03/77/804360377.db2.gz CQYGJDGIBIMZPM-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001268212212 804545866 /nfs/dbraw/zinc/54/58/66/804545866.db2.gz IPMLEVYQZAMUQB-HRCADAONSA-N 2 0 295.471 2.023 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268396001 804649684 /nfs/dbraw/zinc/64/96/84/804649684.db2.gz GLTNHRWKXIDHKY-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028335517 804718602 /nfs/dbraw/zinc/71/86/02/804718602.db2.gz WRICOSVCOHHHAX-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001269461290 805171433 /nfs/dbraw/zinc/17/14/33/805171433.db2.gz RQLOWCQKEAUVPI-HOCLYGCPSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@H]1C ZINC001269677256 805227703 /nfs/dbraw/zinc/22/77/03/805227703.db2.gz OZFSUHWVMMZGNG-WBVHZDCISA-N 2 0 295.471 2.169 20 30 CEEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC001119516255 815123817 /nfs/dbraw/zinc/12/38/17/815123817.db2.gz SLFKGSFRPVNCBR-OIISXLGYSA-N 2 0 278.440 2.003 20 30 CEEDRP C#CCOc1ccc(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205102406 807635650 /nfs/dbraw/zinc/63/56/50/807635650.db2.gz RNHXNLPNOFSBRM-OAHLLOKOSA-N 2 0 258.365 2.012 20 30 CEEDRP CC[NH+](CC)CCCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC001120483721 815227611 /nfs/dbraw/zinc/22/76/11/815227611.db2.gz BZTXSANIVJVBSE-QGZVFWFLSA-N 2 0 289.423 2.303 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)C[N@H+](C)CCC ZINC001171769613 815230125 /nfs/dbraw/zinc/23/01/25/815230125.db2.gz AMZRQVHTAAVHPM-UHFFFAOYSA-N 2 0 285.476 2.395 20 30 CEEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034269402 809567643 /nfs/dbraw/zinc/56/76/43/809567643.db2.gz CTIBJIDUNQMFNO-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@@H](CCCC#N)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172485442 815435228 /nfs/dbraw/zinc/43/52/28/815435228.db2.gz QIJAYBNGWOKSMI-STQMWFEESA-N 2 0 298.431 2.248 20 30 CEEDRP C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790908 812946798 /nfs/dbraw/zinc/94/67/98/812946798.db2.gz MBBUUTFKOAKPLN-INIZCTEOSA-N 2 0 293.455 2.065 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000385587235 813140411 /nfs/dbraw/zinc/14/04/11/813140411.db2.gz HGYFBSOGDUPRCG-UHFFFAOYSA-N 2 0 266.772 2.090 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773738 813323621 /nfs/dbraw/zinc/32/36/21/813323621.db2.gz RCPWYJDOZPDLSK-UONOGXRCSA-N 2 0 283.460 2.166 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757525 813324736 /nfs/dbraw/zinc/32/47/36/813324736.db2.gz OZJHJPNGQJZPGH-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135316668 813407507 /nfs/dbraw/zinc/40/75/07/813407507.db2.gz VWLQPNQNQDXSEF-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980591 813577387 /nfs/dbraw/zinc/57/73/87/813577387.db2.gz QHBYDFVEYIKJJK-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP N#CCc1cc2ccccc2c(N[C@@H]([NH3+])CCC[NH3+])c1 ZINC001170904788 813631349 /nfs/dbraw/zinc/63/13/49/813631349.db2.gz PDLPMSMZVQZMEH-MRXNPFEDSA-N 2 0 268.364 2.341 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001171119366 813896841 /nfs/dbraw/zinc/89/68/41/813896841.db2.gz IVSMJNKFOJPGDE-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001174928940 816105536 /nfs/dbraw/zinc/10/55/36/816105536.db2.gz NLUCLJGUOGMKIB-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164335 816365807 /nfs/dbraw/zinc/36/58/07/816365807.db2.gz ARNZOOPSHXETTP-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176258852 816382904 /nfs/dbraw/zinc/38/29/04/816382904.db2.gz WKBNANMYMRJJMG-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCN(CC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1)C(=O)OCC ZINC001206293211 816520638 /nfs/dbraw/zinc/52/06/38/816520638.db2.gz GSPDTZBMXAEXAQ-MRXNPFEDSA-N 2 0 297.443 2.082 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001178688415 816781934 /nfs/dbraw/zinc/78/19/34/816781934.db2.gz CCDQWYMHAQLFNG-HRCADAONSA-N 2 0 293.455 2.014 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602512996 347062508 /nfs/dbraw/zinc/06/25/08/347062508.db2.gz YUEDWBGMWVJYFN-HUUCEWRRSA-N 2 0 291.439 2.159 20 30 CEEDRP CC[NH+]1CCC(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602550280 347073341 /nfs/dbraw/zinc/07/33/41/347073341.db2.gz LKTXTVFLJUKGQC-HNNXBMFYSA-N 2 0 293.455 2.407 20 30 CEEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401167647 344866926 /nfs/dbraw/zinc/86/69/26/344866926.db2.gz VRDQDLZYZQVTIN-OWCLPIDISA-N 2 0 255.365 2.036 20 30 CEEDRP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000057169713 362573295 /nfs/dbraw/zinc/57/32/95/362573295.db2.gz UKRYNACOCKDTIF-UHFFFAOYSA-N 2 0 299.418 2.032 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000591579333 345265859 /nfs/dbraw/zinc/26/58/59/345265859.db2.gz LZWLQLGNYNKVOL-DOMZBBRYSA-N 2 0 255.365 2.351 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000591578300 345266157 /nfs/dbraw/zinc/26/61/57/345266157.db2.gz NDQYVCUFCDXGDM-SMDDNHRTSA-N 2 0 261.344 2.490 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000592470980 345358649 /nfs/dbraw/zinc/35/86/49/345358649.db2.gz QKTVVGLRMCHFMV-OWCLPIDISA-N 2 0 285.391 2.045 20 30 CEEDRP C[C@H](c1cccc(C#N)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184809 345335338 /nfs/dbraw/zinc/33/53/38/345335338.db2.gz RRVLEBSAXZTAKW-OAHLLOKOSA-N 2 0 299.418 2.416 20 30 CEEDRP C[NH+](C)Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594441534 345631554 /nfs/dbraw/zinc/63/15/54/345631554.db2.gz SKNSTBPUKZAOGQ-HNNXBMFYSA-N 2 0 288.395 2.098 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000595895805 345909657 /nfs/dbraw/zinc/90/96/57/345909657.db2.gz VTXDJKKJGMMDFS-ZWKOTPCHSA-N 2 0 283.419 2.422 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652365 346071998 /nfs/dbraw/zinc/07/19/98/346071998.db2.gz SSNLCDTXEZBFSP-BBRMVZONSA-N 2 0 257.381 2.078 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000598679548 346399304 /nfs/dbraw/zinc/39/93/04/346399304.db2.gz JKTHQKJZZQGVAD-ROUUACIJSA-N 2 0 299.418 2.277 20 30 CEEDRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598713809 346406104 /nfs/dbraw/zinc/40/61/04/346406104.db2.gz DHSZDNPIKJLUTP-INIZCTEOSA-N 2 0 295.471 2.389 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@@H]21 ZINC000129105258 365825471 /nfs/dbraw/zinc/82/54/71/365825471.db2.gz GVQFZXJVLKSFEW-AEFFLSMTSA-N 2 0 299.418 2.353 20 30 CEEDRP N#CC1(C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000600726547 346679589 /nfs/dbraw/zinc/67/95/89/346679589.db2.gz MJYKAAYIOISYPW-MRXNPFEDSA-N 2 0 293.455 2.287 20 30 CEEDRP N#Cc1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000602716462 347167430 /nfs/dbraw/zinc/16/74/30/347167430.db2.gz IHNYRMDHZSYHOS-UHFFFAOYSA-N 2 0 284.407 2.165 20 30 CEEDRP COc1cc(C#N)ccc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876595 347235273 /nfs/dbraw/zinc/23/52/73/347235273.db2.gz GVTOJVAGKVHAMN-UHFFFAOYSA-N 2 0 299.418 2.485 20 30 CEEDRP N#Cc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995108 347729851 /nfs/dbraw/zinc/72/98/51/347729851.db2.gz HQYXALGZFMKMAU-QAPCUYQASA-N 2 0 296.418 2.402 20 30 CEEDRP C=CCN1CCC([NH2+][C@H](C)[C@H]2CCCCO2)CC1 ZINC000623889167 350135130 /nfs/dbraw/zinc/13/51/30/350135130.db2.gz GDPCMLXDBDTBBT-UKRRQHHQSA-N 2 0 252.402 2.184 20 30 CEEDRP C=CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CC)CCCCC1 ZINC000625934773 350608711 /nfs/dbraw/zinc/60/87/11/350608711.db2.gz ZIEGGXAUMYBKMX-CQSZACIVSA-N 2 0 254.418 2.168 20 30 CEEDRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCCC#N)CC1 ZINC000069608432 362984034 /nfs/dbraw/zinc/98/40/34/362984034.db2.gz XAGGYIFQTKDKRZ-CALCHBBNSA-N 2 0 292.471 2.171 20 30 CEEDRP C[N@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CCC[NH+](C)C1 ZINC000337189811 366064518 /nfs/dbraw/zinc/06/45/18/366064518.db2.gz RJOKBAVOEJFYNC-MRXNPFEDSA-N 2 0 293.455 2.361 20 30 CEEDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000157790467 188339207 /nfs/dbraw/zinc/33/92/07/188339207.db2.gz YMQZKSRGBYQAPV-UKRRQHHQSA-N 2 0 273.380 2.161 20 30 CEEDRP C=CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000132681051 366163593 /nfs/dbraw/zinc/16/35/93/366163593.db2.gz IBCNVNNPRHMGLB-IYBDPMFKSA-N 2 0 265.445 2.053 20 30 CEEDRP C[N@H+](CCOc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842608 365181566 /nfs/dbraw/zinc/18/15/66/365181566.db2.gz XAPCWVBNUGQTMK-INIZCTEOSA-N 2 0 287.407 2.211 20 30 CEEDRP N#C[C@H]1CC[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121167 365438413 /nfs/dbraw/zinc/43/84/13/365438413.db2.gz UAMLDEZHCXQLRL-HOTGVXAUSA-N 2 0 261.413 2.486 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N(C)C ZINC000170911258 367446094 /nfs/dbraw/zinc/44/60/94/367446094.db2.gz ZUXYWMLJIFNMST-CQSZACIVSA-N 2 0 288.439 2.437 20 30 CEEDRP CC[N@H+](C)C[C@H]1CCN(Cc2cc(C#N)ccc2F)C1 ZINC000173883712 367954181 /nfs/dbraw/zinc/95/41/81/367954181.db2.gz XONVCARZUOXSAX-CQSZACIVSA-N 2 0 275.371 2.471 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346688650 368771082 /nfs/dbraw/zinc/77/10/82/368771082.db2.gz YFIIJQDQHVOXLG-KGLIPLIRSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000190006597 369587127 /nfs/dbraw/zinc/58/71/27/369587127.db2.gz XDDSTPRCZSPVGE-CABCVRRESA-N 2 0 254.418 2.289 20 30 CEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000192880620 369866567 /nfs/dbraw/zinc/86/65/67/369866567.db2.gz VRMQKLQORGXLLR-HLLBOEOZSA-N 2 0 291.439 2.159 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979799 371152287 /nfs/dbraw/zinc/15/22/87/371152287.db2.gz MGINDZPGMXYCSG-FUHWJXTLSA-N 2 0 299.418 2.353 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000249044446 371286066 /nfs/dbraw/zinc/28/60/66/371286066.db2.gz VRMQKLQORGXLLR-INMHGKMJSA-N 2 0 291.439 2.159 20 30 CEEDRP C=CCCC[C@@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766383 371554962 /nfs/dbraw/zinc/55/49/62/371554962.db2.gz NSNPSPZBUFWVHS-HUUCEWRRSA-N 2 0 254.418 2.120 20 30 CEEDRP C=CCN1CC[C@@](O)(C[N@H+](CC=C)Cc2ccccc2)C1 ZINC000639963205 371700408 /nfs/dbraw/zinc/70/04/08/371700408.db2.gz VBPHLFKEFMGTML-SFHVURJKSA-N 2 0 286.419 2.297 20 30 CEEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C1CC1 ZINC000264162763 371982086 /nfs/dbraw/zinc/98/20/86/371982086.db2.gz BMFQCZRZMJATSR-UHFFFAOYSA-N 2 0 286.423 2.386 20 30 CEEDRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000562383725 376882951 /nfs/dbraw/zinc/88/29/51/376882951.db2.gz WJQVRGYZEPNQKP-HNNXBMFYSA-N 2 0 272.396 2.117 20 30 CEEDRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000423337865 377270125 /nfs/dbraw/zinc/27/01/25/377270125.db2.gz HSHRVMMZVMJGPH-LLVKDONJSA-N 2 0 259.328 2.268 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)nc1 ZINC000565156306 377575867 /nfs/dbraw/zinc/57/58/67/377575867.db2.gz HTYLCWOVUJNXLQ-QGZVFWFLSA-N 2 0 284.407 2.404 20 30 CEEDRP N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000567179638 377811980 /nfs/dbraw/zinc/81/19/80/377811980.db2.gz NMCAEWUTHWMXMJ-LSDHHAIUSA-N 2 0 255.365 2.407 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436291273 377821656 /nfs/dbraw/zinc/82/16/56/377821656.db2.gz PUJLMLBPLIRNTE-FPCVCCKLSA-N 2 0 264.413 2.184 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC)CC1 ZINC000436313482 377824948 /nfs/dbraw/zinc/82/49/48/377824948.db2.gz WLNCDQRNFHYBGE-ZFWWWQNUSA-N 2 0 252.402 2.042 20 30 CEEDRP CC[NH+](CC)[C@@H](C)CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000104167050 394718448 /nfs/dbraw/zinc/71/84/48/394718448.db2.gz LOXYTNUCPHXOJU-LBPRGKRZSA-N 2 0 278.400 2.152 20 30 CEEDRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423283259 394889262 /nfs/dbraw/zinc/88/92/62/394889262.db2.gz WTTBSRUGSXAHBH-KRWDZBQOSA-N 2 0 286.423 2.100 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CC2 ZINC000423355894 394898874 /nfs/dbraw/zinc/89/88/74/394898874.db2.gz IXLZQLVLCISVOO-ZBFHGGJFSA-N 2 0 255.365 2.277 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000290089048 395093987 /nfs/dbraw/zinc/09/39/87/395093987.db2.gz MOQOKHYHLQUXSM-MRXNPFEDSA-N 2 0 254.377 2.242 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346859471 395110605 /nfs/dbraw/zinc/11/06/05/395110605.db2.gz SDVYOSFTACMICH-BHYGNILZSA-N 2 0 272.392 2.421 20 30 CEEDRP CN(C)C(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000178565233 395169982 /nfs/dbraw/zinc/16/99/82/395169982.db2.gz ALIWVLMAHLRLTL-UHFFFAOYSA-N 2 0 288.439 2.439 20 30 CEEDRP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)CCC#N)CC2)CC1 ZINC000567986601 395543821 /nfs/dbraw/zinc/54/38/21/395543821.db2.gz YGWAEULLOXPZCH-INIZCTEOSA-N 2 0 292.471 2.169 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000572951396 395595452 /nfs/dbraw/zinc/59/54/52/395595452.db2.gz MIIAQSAHUJOOCG-RCCFBDPRSA-N 2 0 299.418 2.447 20 30 CEEDRP C=CC[N@H+](CC1CCCCC1)C[C@](C)(O)C[NH2+]C ZINC000572049332 395585375 /nfs/dbraw/zinc/58/53/75/395585375.db2.gz SBZLZHKUHUIOQR-OAHLLOKOSA-N 2 0 254.418 2.025 20 30 CEEDRP C=CCCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000649382148 396135655 /nfs/dbraw/zinc/13/56/55/396135655.db2.gz OFULKDWUIOYQQK-INIZCTEOSA-N 2 0 265.445 2.055 20 30 CEEDRP N#Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037408180 173183901 /nfs/dbraw/zinc/18/39/01/173183901.db2.gz DFBZKFALPXMOCY-HNNXBMFYSA-N 2 0 255.365 2.132 20 30 CEEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000040621184 174355137 /nfs/dbraw/zinc/35/51/37/174355137.db2.gz CEBLELLRJQCOFD-INIZCTEOSA-N 2 0 257.381 2.378 20 30 CEEDRP C=CC[C@@]1(C(=O)N2CC[NH+](C(C)(C)CC)CC2)CCC[NH2+]1 ZINC000662833167 414766325 /nfs/dbraw/zinc/76/63/25/414766325.db2.gz ZVQKYULOUNBRGZ-KRWDZBQOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CC ZINC000661114803 415101799 /nfs/dbraw/zinc/10/17/99/415101799.db2.gz MONALUYMTXKCHU-RBSFLKMASA-N 2 0 254.418 2.024 20 30 CEEDRP C=CC[N@H+](CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252573 415716609 /nfs/dbraw/zinc/71/66/09/415716609.db2.gz AUWNSHJIANKFRG-QGZVFWFLSA-N 2 0 286.419 2.238 20 30 CEEDRP C=CCN(CCc1ccco1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660225686 415929943 /nfs/dbraw/zinc/92/99/43/415929943.db2.gz QMKCJPWWWFLESQ-OAHLLOKOSA-N 2 0 280.412 2.011 20 30 CEEDRP C=CC[C@@]1(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000662746296 415951506 /nfs/dbraw/zinc/95/15/06/415951506.db2.gz RXNFBTZCOUFVPE-WBVHZDCISA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[C@]1(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710186 415938513 /nfs/dbraw/zinc/93/85/13/415938513.db2.gz FMWKXPYVLKNUKE-HLLBOEOZSA-N 2 0 293.455 2.064 20 30 CEEDRP C[C@H]1CCC[C@](CNC(=[NH2+])NC(C)(C)C)([NH+](C)C)C1 ZINC000203012748 261357743 /nfs/dbraw/zinc/35/77/43/261357743.db2.gz PPRONOBDNDCOTQ-WFASDCNBSA-N 2 0 268.449 2.200 20 30 CEEDRP CC[NH+]1CCC(CCNC(NCc2ccco2)=[NH+]C)CC1 ZINC000266173597 262914793 /nfs/dbraw/zinc/91/47/93/262914793.db2.gz ZYPLPESBUZPBRY-UHFFFAOYSA-N 2 0 292.427 2.067 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000414903930 263111471 /nfs/dbraw/zinc/11/14/71/263111471.db2.gz IZHWJUWPZXDXFZ-OAHLLOKOSA-N 2 0 290.407 2.492 20 30 CEEDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C[NH3+] ZINC000397318349 267075313 /nfs/dbraw/zinc/07/53/13/267075313.db2.gz ABVKUHCENOZCDV-IOASZLSFSA-N 2 0 257.381 2.363 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000459732690 267336710 /nfs/dbraw/zinc/33/67/10/267336710.db2.gz MOHAKGYNRDJFQA-AWEZNQCLSA-N 2 0 297.406 2.027 20 30 CEEDRP N#Cc1ccc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCOCC2)cc1 ZINC000530234416 268211360 /nfs/dbraw/zinc/21/13/60/268211360.db2.gz PBWSDCHQUBZBPK-MRXNPFEDSA-N 2 0 299.418 2.153 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121170 294822034 /nfs/dbraw/zinc/82/20/34/294822034.db2.gz UAMLDEZHCXQLRL-HZPDHXFCSA-N 2 0 261.413 2.486 20 30 CEEDRP CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000267391296 328177734 /nfs/dbraw/zinc/17/77/34/328177734.db2.gz DCBSXHOWFHMORW-UHFFFAOYSA-N 2 0 274.412 2.097 20 30 CEEDRP C[C@@H]1C[NH+]=C(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)N1 ZINC000262682519 330026661 /nfs/dbraw/zinc/02/66/61/330026661.db2.gz WWAIJJBAJOCXLB-MBNYWOFBSA-N 2 0 292.452 2.068 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422832242 330156810 /nfs/dbraw/zinc/15/68/10/330156810.db2.gz KYISELWRPIHLNB-GVDBMIGSSA-N 2 0 279.472 2.273 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834967 330156855 /nfs/dbraw/zinc/15/68/55/330156855.db2.gz ONLSNHHNKXBBJF-GVDBMIGSSA-N 2 0 279.472 2.415 20 30 CEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423096539 330169749 /nfs/dbraw/zinc/16/97/49/330169749.db2.gz PEULYYKEBGKZRK-OOJKYFRXSA-N 2 0 252.402 2.075 20 30 CEEDRP C=CCC[C@H](CCC)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423447430 330202660 /nfs/dbraw/zinc/20/26/60/330202660.db2.gz ZQSKGZTXQKYQEJ-LSDHHAIUSA-N 2 0 254.418 2.480 20 30 CEEDRP C[NH+](C)CC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000446770748 330854024 /nfs/dbraw/zinc/85/40/24/330854024.db2.gz VVLJMLKUBHAPNW-UHFFFAOYSA-N 2 0 274.383 2.451 20 30 CEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000491387893 332202689 /nfs/dbraw/zinc/20/26/89/332202689.db2.gz ZIMZFJWYIKWLRF-UHFFFAOYSA-N 2 0 272.396 2.195 20 30 CEEDRP C=CCCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000516714436 333081405 /nfs/dbraw/zinc/08/14/05/333081405.db2.gz ZLJCWEXFHPDELC-UHFFFAOYSA-N 2 0 267.461 2.301 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000186602671 333163493 /nfs/dbraw/zinc/16/34/93/333163493.db2.gz DDDKZBNMXKGFTI-HZPDHXFCSA-N 2 0 267.461 2.347 20 30 CEEDRP CC(C)[C@@H](C[NH2+]CC(C)(C)CCC#N)N1CC[NH+](C)CC1 ZINC000135144560 334117498 /nfs/dbraw/zinc/11/74/98/334117498.db2.gz QBGANTNLVWSYOT-MRXNPFEDSA-N 2 0 294.487 2.178 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000353308315 526421665 /nfs/dbraw/zinc/42/16/65/526421665.db2.gz AHPFNHLEYOVHHD-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780165 613306797 /nfs/dbraw/zinc/30/67/97/613306797.db2.gz AAAQCDWTDLOVLK-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780317 613491290 /nfs/dbraw/zinc/49/12/90/613491290.db2.gz CQALQSXUIJCILV-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001020672941 622823307 /nfs/dbraw/zinc/82/33/07/622823307.db2.gz BELKOQPLPQIHGK-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000051691836 624523228 /nfs/dbraw/zinc/52/32/28/624523228.db2.gz ZGKMLWMTAMTFNQ-CYBMUJFWSA-N 2 0 260.385 2.144 20 30 CEEDRP C#C[C@@H](C)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000775184002 628040644 /nfs/dbraw/zinc/04/06/44/628040644.db2.gz RNQGWIGBXICZHB-CQSZACIVSA-N 2 0 260.381 2.081 20 30 CEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001026515928 628345272 /nfs/dbraw/zinc/34/52/72/628345272.db2.gz NOLRJMROCBTVSS-GPANFISMSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001026610132 628373799 /nfs/dbraw/zinc/37/37/99/628373799.db2.gz DYHDHTSJKACYSF-GPANFISMSA-N 2 0 293.455 2.064 20 30 CEEDRP CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCOc1ccc(C#N)cc1 ZINC000931725948 628813285 /nfs/dbraw/zinc/81/32/85/628813285.db2.gz ASXZDAJUBCEKHZ-DLBZAZTESA-N 2 0 299.418 2.496 20 30 CEEDRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925796668 628841997 /nfs/dbraw/zinc/84/19/97/628841997.db2.gz LKJRQQVHZUGINM-DVOMOZLQSA-N 2 0 257.381 2.454 20 30 CEEDRP C=C1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000925834192 628929864 /nfs/dbraw/zinc/92/98/64/628929864.db2.gz GKZGLTAYIQVWSA-YESZJQIVSA-N 2 0 278.440 2.480 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925876094 628975695 /nfs/dbraw/zinc/97/56/95/628975695.db2.gz QWXRDDWSBOTHQW-FMKPAKJESA-N 2 0 272.392 2.477 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000261695360 629088756 /nfs/dbraw/zinc/08/87/56/629088756.db2.gz BUKOWGVKUKOAEZ-STQMWFEESA-N 2 0 268.449 2.200 20 30 CEEDRP C=CCC1([NH2+]CC2CC[NH+](C)CC2)CCOCC1 ZINC000895366234 630142277 /nfs/dbraw/zinc/14/22/77/630142277.db2.gz IMKOARPASBQBLA-UHFFFAOYSA-N 2 0 252.402 2.043 20 30 CEEDRP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000815107121 632960633 /nfs/dbraw/zinc/96/06/33/632960633.db2.gz KHJUTOAQENXATN-GJZGRUSLSA-N 2 0 261.413 2.486 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000900340376 633663540 /nfs/dbraw/zinc/66/35/40/633663540.db2.gz XYUZMOVNYGKKHL-CQSZACIVSA-N 2 0 295.471 2.121 20 30 CEEDRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1C#N ZINC000817915027 633774888 /nfs/dbraw/zinc/77/48/88/633774888.db2.gz GYBYSYUWLUHVHW-DOMZBBRYSA-N 2 0 273.380 2.045 20 30 CEEDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817919479 633777621 /nfs/dbraw/zinc/77/76/21/633777621.db2.gz RLZZZLLGQRIWMR-ZDUSSCGKSA-N 2 0 261.369 2.196 20 30 CEEDRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000902813599 634847971 /nfs/dbraw/zinc/84/79/71/634847971.db2.gz DRKSWZQQLHAORY-MRXNPFEDSA-N 2 0 287.407 2.056 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@]1(C)CCC[NH2+]C1 ZINC000904384225 635607197 /nfs/dbraw/zinc/60/71/97/635607197.db2.gz HJKQYNJZMNNURX-QGZVFWFLSA-N 2 0 271.408 2.422 20 30 CEEDRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000905599767 636346642 /nfs/dbraw/zinc/34/66/42/636346642.db2.gz BOVMCAVNQHZBAE-PCKAHOCUSA-N 2 0 291.439 2.038 20 30 CEEDRP CSCCC[NH+]=C(NC[C@@H](C)N(C)C)NC(C)(C)C ZINC000912508130 638712901 /nfs/dbraw/zinc/71/29/01/638712901.db2.gz HZFSLTIYRMLYQD-GFCCVEGCSA-N 2 0 288.505 2.023 20 30 CEEDRP C#C[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847023251 641530889 /nfs/dbraw/zinc/53/08/89/641530889.db2.gz ZWTNDUSEVVNXME-QZTJIDSGSA-N 2 0 272.436 2.457 20 30 CEEDRP C#C[C@H]1CCC[N@H+](CCCC[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847023248 641530945 /nfs/dbraw/zinc/53/09/45/641530945.db2.gz ZWTNDUSEVVNXME-HDICACEKSA-N 2 0 272.436 2.457 20 30 CEEDRP C#CC[N@H+](C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000849032473 642244301 /nfs/dbraw/zinc/24/43/01/642244301.db2.gz KHTFLXAMEJTYQL-UHFFFAOYSA-N 2 0 298.434 2.457 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000999502907 642492011 /nfs/dbraw/zinc/49/20/11/642492011.db2.gz OGRABLCWVSVDQG-FHERZECASA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001001010830 642675907 /nfs/dbraw/zinc/67/59/07/642675907.db2.gz XJHVMKJMXHQAMT-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000922138694 642899096 /nfs/dbraw/zinc/89/90/96/642899096.db2.gz CAHPHVREBZMVBB-GFCCVEGCSA-N 2 0 259.397 2.462 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315105 643654842 /nfs/dbraw/zinc/65/48/42/643654842.db2.gz FGSYJQXASMVYQF-AWEZNQCLSA-N 2 0 252.402 2.043 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000873239144 649605590 /nfs/dbraw/zinc/60/55/90/649605590.db2.gz OSXOEZMLHWNXCK-RHSMWYFYSA-N 2 0 298.434 2.244 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000878321440 651066280 /nfs/dbraw/zinc/06/62/80/651066280.db2.gz DVZOXHFCVGZPLL-INIZCTEOSA-N 2 0 279.472 2.441 20 30 CEEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@H]21 ZINC000879579909 651326770 /nfs/dbraw/zinc/32/67/70/651326770.db2.gz QDCFMOCGXKXRDG-IAGOWNOFSA-N 2 0 269.392 2.127 20 30 CEEDRP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001271016498 805715810 /nfs/dbraw/zinc/71/58/10/805715810.db2.gz HCCLEUTYCDNHBD-KRWDZBQOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001088330894 806123798 /nfs/dbraw/zinc/12/37/98/806123798.db2.gz KTDNSOHFUMUIST-HOTGVXAUSA-N 2 0 295.471 2.119 20 30 CEEDRP [NH2+]=C(NCCC[NH+]1CCCCC1)NC1CCCCC1 ZINC000201146613 802457321 /nfs/dbraw/zinc/45/73/21/802457321.db2.gz KEIQLTBTVUGLBK-UHFFFAOYSA-N 2 0 266.433 2.099 20 30 CEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790187 803735280 /nfs/dbraw/zinc/73/52/80/803735280.db2.gz NSGNJCVXKBSYRZ-HOTGVXAUSA-N 2 0 295.471 2.216 20 30 CEEDRP C=CC[NH2+]C[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267998063 803896795 /nfs/dbraw/zinc/89/67/95/803896795.db2.gz WZLWDLCMPPAVQZ-HNNXBMFYSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001038904847 804512309 /nfs/dbraw/zinc/51/23/09/804512309.db2.gz XXOHRHHQZSCEBR-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001269355046 805139038 /nfs/dbraw/zinc/13/90/38/805139038.db2.gz DGBRPJRRZJNNJL-INIZCTEOSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001270249832 805382627 /nfs/dbraw/zinc/38/26/27/805382627.db2.gz LLGQTKQUPJJNTE-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP N#Cc1ccc(CCC[N@H+]2CC[C@@H](N)[C@H](F)CC2)cc1 ZINC001206157137 815298257 /nfs/dbraw/zinc/29/82/57/815298257.db2.gz WGMKMIUCSUOVHB-HZPDHXFCSA-N 2 0 275.371 2.252 20 30 CEEDRP N#Cc1ccc(CCC[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206157138 815298366 /nfs/dbraw/zinc/29/83/66/815298366.db2.gz WGMKMIUCSUOVHB-JKSUJKDBSA-N 2 0 275.371 2.252 20 30 CEEDRP C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034269243 809567954 /nfs/dbraw/zinc/56/79/54/809567954.db2.gz CTIBJIDUNQMFNO-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCN2C)C1 ZINC001034269401 809568228 /nfs/dbraw/zinc/56/82/28/809568228.db2.gz CTIBJIDUNQMFNO-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034292470 809572194 /nfs/dbraw/zinc/57/21/94/809572194.db2.gz RLPXJIPYCQHWHW-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C#N)CC2)CC1 ZINC001172245389 815356721 /nfs/dbraw/zinc/35/67/21/815356721.db2.gz UDCYSGAPNOSGGC-SHTZXODSSA-N 2 0 279.428 2.159 20 30 CEEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038783889 810912069 /nfs/dbraw/zinc/91/20/69/810912069.db2.gz ZRKCSTGQNSCFTG-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP CN(C)/C=[NH+]/c1ccc(NCC[C@H]2CCC[NH2+]2)cc1C#N ZINC001169567301 811571106 /nfs/dbraw/zinc/57/11/06/811571106.db2.gz KBXFIYSBYDGUJU-MQMKENTISA-N 2 0 285.395 2.334 20 30 CEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654120 811923786 /nfs/dbraw/zinc/92/37/86/811923786.db2.gz XLVGRWGECNYSLJ-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@@H](C)C2)CC1 ZINC001170159526 812292619 /nfs/dbraw/zinc/29/26/19/812292619.db2.gz VBMHSUQUKWERTM-MSOLQXFVSA-N 2 0 291.483 2.467 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949957 812520256 /nfs/dbraw/zinc/52/02/56/812520256.db2.gz LLGANJCJOWRXIB-HNNXBMFYSA-N 2 0 285.476 2.249 20 30 CEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@@H]1C ZINC001132111725 812790700 /nfs/dbraw/zinc/79/07/00/812790700.db2.gz WVQSJASKKMZOJH-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377542 812835566 /nfs/dbraw/zinc/83/55/66/812835566.db2.gz YFUJTGCQCSCCLN-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886862 812957029 /nfs/dbraw/zinc/95/70/29/812957029.db2.gz VEGDDAOGWSMKMY-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001052428185 812989980 /nfs/dbraw/zinc/98/99/80/812989980.db2.gz FNIMEHVQRYYKGZ-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1c(O)cccc1Cl ZINC000385614866 813140002 /nfs/dbraw/zinc/14/00/02/813140002.db2.gz OOUAYFSKAOMIOS-UHFFFAOYSA-N 2 0 266.772 2.090 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477664 813446870 /nfs/dbraw/zinc/44/68/70/813446870.db2.gz VVNXLZGOZNWNJD-UONOGXRCSA-N 2 0 283.460 2.023 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706470 813508456 /nfs/dbraw/zinc/50/84/56/813508456.db2.gz VBALVBIYTQFHCR-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860320 813549127 /nfs/dbraw/zinc/54/91/27/813549127.db2.gz ADGOAHZFHGELAM-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CC[NH2+]C[C@H]1OC ZINC001245989850 813660861 /nfs/dbraw/zinc/66/08/61/813660861.db2.gz OPEOZSLPEGGBSM-BZUAXINKSA-N 2 0 286.460 2.064 20 30 CEEDRP C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246026626 813665143 /nfs/dbraw/zinc/66/51/43/813665143.db2.gz WLJSLQRIOSHSQR-IRXDYDNUSA-N 2 0 298.471 2.050 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074649464 813842915 /nfs/dbraw/zinc/84/29/15/813842915.db2.gz ZJDZLFGTKHLGJF-JYJNAYRXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C/C(=[NH+]\COC)n1c2ccccc2c2c1C[C@H]([NH3+])CC2 ZINC001171097993 813867379 /nfs/dbraw/zinc/86/73/79/813867379.db2.gz XQFIMVJGHHIADK-KRZJZYHWSA-N 2 0 283.375 2.494 20 30 CEEDRP C=CCOC1CCC([N@@H+]2CCC[C@@H]([NH3+])CC2)CC1 ZINC001246544312 813966694 /nfs/dbraw/zinc/96/66/94/813966694.db2.gz XMDCKYSGFUNNNF-WLYUNCDWSA-N 2 0 252.402 2.313 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001171179849 814060778 /nfs/dbraw/zinc/06/07/78/814060778.db2.gz XRHFXRXCZIKSBK-BBRMVZONSA-N 2 0 257.381 2.031 20 30 CEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001100460243 814130601 /nfs/dbraw/zinc/13/06/01/814130601.db2.gz WHENKYHPJBENGZ-UHFFFAOYSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647368 814165772 /nfs/dbraw/zinc/16/57/72/814165772.db2.gz QXAVOWGRWHBMQB-UYSNPLJNSA-N 2 0 295.471 2.023 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537641 814295020 /nfs/dbraw/zinc/29/50/20/814295020.db2.gz ZCGWSPNYGMOSAR-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734244 814752267 /nfs/dbraw/zinc/75/22/67/814752267.db2.gz DTJHJWFENZKZIQ-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176056298 816343270 /nfs/dbraw/zinc/34/32/70/816343270.db2.gz FPLXQRXBBRJLOX-OAHLLOKOSA-N 2 0 283.460 2.004 20 30 CEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267398 816385544 /nfs/dbraw/zinc/38/55/44/816385544.db2.gz BNFYTGCHQJMAHL-INIZCTEOSA-N 2 0 295.471 2.006 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176327841 816388721 /nfs/dbraw/zinc/38/87/21/816388721.db2.gz LWZPZAAJBYSCFQ-UHFFFAOYSA-N 2 0 295.471 2.315 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179461733 816864072 /nfs/dbraw/zinc/86/40/72/816864072.db2.gz ZHTTUEJFUWAGFI-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609002 816883791 /nfs/dbraw/zinc/88/37/91/816883791.db2.gz BJAYKGSAGLJATE-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCOCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668581587 539203890 /nfs/dbraw/zinc/20/38/90/539203890.db2.gz HJMHYLZQERSHKO-UHFFFAOYSA-N 2 0 275.396 2.233 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000066244109 343709978 /nfs/dbraw/zinc/70/99/78/343709978.db2.gz FSENLNBAQOWOHX-INIZCTEOSA-N 2 0 286.423 2.222 20 30 CEEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000130554362 344353819 /nfs/dbraw/zinc/35/38/19/344353819.db2.gz FXYZIXCOGHJHRE-XHSDSOJGSA-N 2 0 255.365 2.117 20 30 CEEDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573301 345265462 /nfs/dbraw/zinc/26/54/62/345265462.db2.gz HZJABLZQMPNUNM-UWVGGRQHSA-N 2 0 251.761 2.427 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000595895417 345908530 /nfs/dbraw/zinc/90/85/30/345908530.db2.gz LYQDVEVNCMMOQW-MRXNPFEDSA-N 2 0 257.381 2.304 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097536 345939429 /nfs/dbraw/zinc/93/94/29/345939429.db2.gz YUKPFOAOKBETHQ-BZUAXINKSA-N 2 0 261.413 2.390 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000596653314 346072645 /nfs/dbraw/zinc/07/26/45/346072645.db2.gz ZZRFKDOZFOXNCD-HZPDHXFCSA-N 2 0 257.381 2.208 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000598684305 346400462 /nfs/dbraw/zinc/40/04/62/346400462.db2.gz VOVZKVNHTVCVOH-KSZLIROESA-N 2 0 299.418 2.419 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724128 346408710 /nfs/dbraw/zinc/40/87/10/346408710.db2.gz IPTOIKMCKINVBZ-HOTGVXAUSA-N 2 0 295.471 2.245 20 30 CEEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCOCCC[NH3+] ZINC000600709585 346675198 /nfs/dbraw/zinc/67/51/98/346675198.db2.gz LFVFERDXYRQXQH-KRWDZBQOSA-N 2 0 287.407 2.281 20 30 CEEDRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C#N ZINC000600712546 346675724 /nfs/dbraw/zinc/67/57/24/346675724.db2.gz YCUNXPXGSRRXGQ-KRWDZBQOSA-N 2 0 299.418 2.054 20 30 CEEDRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000600742919 346682789 /nfs/dbraw/zinc/68/27/89/346682789.db2.gz GBDOOOZNYVKKBG-CALCHBBNSA-N 2 0 269.392 2.032 20 30 CEEDRP N#Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000600768938 346686134 /nfs/dbraw/zinc/68/61/34/346686134.db2.gz IGBLMMSILPWSBN-IUODEOHRSA-N 2 0 259.353 2.115 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]C1CCC(C#N)CC1 ZINC000602616674 347104961 /nfs/dbraw/zinc/10/49/61/347104961.db2.gz WUPSHLCTSNTFRC-UHFFFAOYSA-N 2 0 267.417 2.017 20 30 CEEDRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994067 347729225 /nfs/dbraw/zinc/72/92/25/347729225.db2.gz TWDZPOFUIFFTBW-INIZCTEOSA-N 2 0 284.407 2.117 20 30 CEEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618574585 348980278 /nfs/dbraw/zinc/98/02/78/348980278.db2.gz DCAABDNPTDUSPT-HUUCEWRRSA-N 2 0 299.422 2.328 20 30 CEEDRP CC[N@H+](CCC1CC[NH+](CC#CCOC)CC1)CC1CC1 ZINC000678469775 541138727 /nfs/dbraw/zinc/13/87/27/541138727.db2.gz GACHYSUHBYPSNB-UHFFFAOYSA-N 2 0 292.467 2.470 20 30 CEEDRP C=CCCC[C@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678717356 541165560 /nfs/dbraw/zinc/16/55/60/541165560.db2.gz PFVQZCHXWXEYPS-DLBZAZTESA-N 2 0 279.472 2.443 20 30 CEEDRP N#CC1CC[NH+](CCCC[NH+]2CCC(C#N)CC2)CC1 ZINC000157676819 366847264 /nfs/dbraw/zinc/84/72/64/366847264.db2.gz JBGVMVYSSMWRKS-UHFFFAOYSA-N 2 0 274.412 2.238 20 30 CEEDRP CN(CC[N@H+](C)CCCC(C)(C)C#N)C1CC[NH+](C)CC1 ZINC000119721718 365315619 /nfs/dbraw/zinc/31/56/19/365315619.db2.gz NRJHGSUYUOQDCI-UHFFFAOYSA-N 2 0 294.487 2.274 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346652672 368753178 /nfs/dbraw/zinc/75/31/78/368753178.db2.gz HVCKWZVGTMUJOE-HIFRSBDPSA-N 2 0 290.407 2.429 20 30 CEEDRP C=CCOCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000348047907 368873794 /nfs/dbraw/zinc/87/37/94/368873794.db2.gz GJENGOCLWHCFIS-INIZCTEOSA-N 2 0 266.429 2.387 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000027 369035120 /nfs/dbraw/zinc/03/51/20/369035120.db2.gz FMZFMOGYHMCMSJ-UKRRQHHQSA-N 2 0 290.407 2.287 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635530434 369206653 /nfs/dbraw/zinc/20/66/53/369206653.db2.gz BINSXOBRWCWQAD-UHFFFAOYSA-N 2 0 295.471 2.121 20 30 CEEDRP C[C@H](CCC#N)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351413569 369634823 /nfs/dbraw/zinc/63/48/23/369634823.db2.gz MDJKIIYWSQNJMT-OAGGEKHMSA-N 2 0 293.455 2.500 20 30 CEEDRP C=CCC1([NH2+][C@H]2CCN(C)[C@H](C)C2)CCOCC1 ZINC000639313927 371219480 /nfs/dbraw/zinc/21/94/80/371219480.db2.gz BJXUJOWYTPGYCD-KGLIPLIRSA-N 2 0 252.402 2.184 20 30 CEEDRP C[NH+](C)CCCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264069289 371961213 /nfs/dbraw/zinc/96/12/13/371961213.db2.gz CUIIYPLNORNYPT-UHFFFAOYSA-N 2 0 274.412 2.244 20 30 CEEDRP C=C1CC[NH+](CCOCC[NH+]2CCC(=C)CC2)CC1 ZINC000267398051 372073024 /nfs/dbraw/zinc/07/30/24/372073024.db2.gz FHTVGDFNCKBMII-UHFFFAOYSA-N 2 0 264.413 2.307 20 30 CEEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000641767801 372708687 /nfs/dbraw/zinc/70/86/87/372708687.db2.gz QWWLXVCSZHPGAJ-MRXNPFEDSA-N 2 0 278.440 2.147 20 30 CEEDRP C=CC[NH+]1CCC(Nc2cc(NCC3CC3)ncn2)CC1 ZINC000270226383 372708963 /nfs/dbraw/zinc/70/89/63/372708963.db2.gz DJUCXCICDZHCKZ-UHFFFAOYSA-N 2 0 287.411 2.361 20 30 CEEDRP C#CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000271571030 373194770 /nfs/dbraw/zinc/19/47/70/373194770.db2.gz BSFBZLAAVORNKI-UHFFFAOYSA-N 2 0 265.360 2.380 20 30 CEEDRP C=CCCC[NH+](C)CC(O)C[N@H+](C)CCCC=C ZINC000278027857 374709192 /nfs/dbraw/zinc/70/91/92/374709192.db2.gz DVTJIAFIAZCVFT-UHFFFAOYSA-N 2 0 254.418 2.143 20 30 CEEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC000423003578 376922418 /nfs/dbraw/zinc/92/24/18/376922418.db2.gz HZTSXGOABXORQM-AEZOWIDVSA-N 2 0 255.365 2.492 20 30 CEEDRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1C#N ZINC000423119274 377015861 /nfs/dbraw/zinc/01/58/61/377015861.db2.gz BYURXJIBKVBWHE-WFASDCNBSA-N 2 0 273.380 2.045 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000264983846 190149571 /nfs/dbraw/zinc/14/95/71/190149571.db2.gz VEIJXYBSTGOTKZ-DLBZAZTESA-N 2 0 284.403 2.415 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000305071072 379620563 /nfs/dbraw/zinc/62/05/63/379620563.db2.gz JIZTUTPSRVQBLL-HZPDHXFCSA-N 2 0 266.429 2.121 20 30 CEEDRP C[C@@H]([NH2+]C(C)(C)CNC1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000262682153 394623162 /nfs/dbraw/zinc/62/31/62/394623162.db2.gz WRGZDCNEZAHVBR-CHWSQXEVSA-N 2 0 274.412 2.053 20 30 CEEDRP CN(C)C(=[NH+]C[C@@H](c1ccccc1)[NH+]1CCCC1)N(C)C ZINC000104155639 394718676 /nfs/dbraw/zinc/71/86/76/394718676.db2.gz ADCIOPXKXPGMLN-INIZCTEOSA-N 2 0 288.439 2.303 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC)C2)c1 ZINC000104172396 394718948 /nfs/dbraw/zinc/71/89/48/394718948.db2.gz TZVXTYPJKUYQMX-CQSZACIVSA-N 2 0 274.412 2.317 20 30 CEEDRP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000414822128 394752641 /nfs/dbraw/zinc/75/26/41/394752641.db2.gz MPROVPUMVSKRSN-IUODEOHRSA-N 2 0 273.380 2.045 20 30 CEEDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000363589150 394880954 /nfs/dbraw/zinc/88/09/54/394880954.db2.gz KSBPQOMCCNAHJD-MRXNPFEDSA-N 2 0 292.471 2.028 20 30 CEEDRP C#CCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362031686 394842129 /nfs/dbraw/zinc/84/21/29/394842129.db2.gz DFEGNIGSOIHIAG-YESZJQIVSA-N 2 0 278.440 2.269 20 30 CEEDRP C=CCOCC[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000338911327 394933672 /nfs/dbraw/zinc/93/36/72/394933672.db2.gz JWXMUSRHNKUEOG-UHFFFAOYSA-N 2 0 254.418 2.243 20 30 CEEDRP C[NH+](C)[C@@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000372988670 395051324 /nfs/dbraw/zinc/05/13/24/395051324.db2.gz FPPYGQTYQKKPSP-CYBMUJFWSA-N 2 0 255.431 2.049 20 30 CEEDRP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000348061193 395134596 /nfs/dbraw/zinc/13/45/96/395134596.db2.gz YCHHPDOQYPJZKO-HUUCEWRRSA-N 2 0 254.418 2.241 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000651709488 401376143 /nfs/dbraw/zinc/37/61/43/401376143.db2.gz YMGUAAAIHBRDMP-IKGGRYGDSA-N 2 0 291.483 2.489 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000661116737 415103128 /nfs/dbraw/zinc/10/31/28/415103128.db2.gz ZRFNGPNJVLDCKP-BZUAXINKSA-N 2 0 268.445 2.412 20 30 CEEDRP C=CC[C@@]1(C(=O)N[C@@H](C)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662658922 415923389 /nfs/dbraw/zinc/92/33/89/415923389.db2.gz MOXJVATZBBYOPW-RDJZCZTQSA-N 2 0 295.471 2.311 20 30 CEEDRP CN(C(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000273133308 263013077 /nfs/dbraw/zinc/01/30/77/263013077.db2.gz BCVZZMBUQRIPBT-INIZCTEOSA-N 2 0 286.423 2.232 20 30 CEEDRP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C[NH+]1CCCC1 ZINC000288807533 263106203 /nfs/dbraw/zinc/10/62/03/263106203.db2.gz ZYMNDMRMCVOFKC-NSHDSACASA-N 2 0 296.365 2.423 20 30 CEEDRP CSC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[NH+](C)CC1 ZINC000353612014 263259722 /nfs/dbraw/zinc/25/97/22/263259722.db2.gz QBHNDSSDZLAHAF-ZIAGYGMSSA-N 2 0 281.469 2.486 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000253157916 264322587 /nfs/dbraw/zinc/32/25/87/264322587.db2.gz QKGMDFKHBJMAPI-RBSFLKMASA-N 2 0 252.402 2.089 20 30 CEEDRP N#CCCC[N@@H+]1CCC2(C1)CC[NH+](CCCC#N)CC2 ZINC000369948832 267278324 /nfs/dbraw/zinc/27/83/24/267278324.db2.gz REFMAWGPXBSTOH-UHFFFAOYSA-N 2 0 274.412 2.382 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000459738384 267336865 /nfs/dbraw/zinc/33/68/65/267336865.db2.gz RRGOLHNVDPFMRN-INIZCTEOSA-N 2 0 257.381 2.380 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000530244652 268263298 /nfs/dbraw/zinc/26/32/98/268263298.db2.gz PDJWOMZDFGLLRL-MSOLQXFVSA-N 2 0 299.418 2.198 20 30 CEEDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399914 274605101 /nfs/dbraw/zinc/60/51/01/274605101.db2.gz VALDELMZLDMRDY-KSSFIOAISA-N 2 0 298.434 2.115 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185887270 329334332 /nfs/dbraw/zinc/33/43/32/329334332.db2.gz BZJGYNBOFNTLSD-SOUVJXGZSA-N 2 0 267.417 2.015 20 30 CEEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCC(C)(C)C#N)C2)CC1 ZINC000175212902 329166716 /nfs/dbraw/zinc/16/67/16/329166716.db2.gz FBGCNHAFZZKXCU-INIZCTEOSA-N 2 0 292.471 2.028 20 30 CEEDRP CC#CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177494440 329184914 /nfs/dbraw/zinc/18/49/14/329184914.db2.gz GTCGDGZORVURSX-HOTGVXAUSA-N 2 0 278.440 2.221 20 30 CEEDRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000178583631 329200973 /nfs/dbraw/zinc/20/09/73/329200973.db2.gz CEZNZLNMMZYBEC-WCQYABFASA-N 2 0 280.441 2.007 20 30 CEEDRP C=CCOc1ccccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262142893 330000728 /nfs/dbraw/zinc/00/07/28/330000728.db2.gz ZHSVNCRBGNBDKV-KRWDZBQOSA-N 2 0 272.392 2.437 20 30 CEEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC2(C1)CCCCC2 ZINC000262422192 330009200 /nfs/dbraw/zinc/00/92/00/330009200.db2.gz BKZHTPKKFQJTBC-HNNXBMFYSA-N 2 0 292.471 2.170 20 30 CEEDRP CC[NH+]=C(NCC1CCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262427128 330009835 /nfs/dbraw/zinc/00/98/35/330009835.db2.gz CXBRNRIAWIPXQR-MRXNPFEDSA-N 2 0 292.471 2.312 20 30 CEEDRP C[NH+]=C(NC1CCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262798731 330032215 /nfs/dbraw/zinc/03/22/15/330032215.db2.gz QJFLHJSWWHGRNN-UHFFFAOYSA-N 2 0 278.444 2.111 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422857284 330157845 /nfs/dbraw/zinc/15/78/45/330157845.db2.gz GQMDDUCSNBXIKS-BRWVUGGUSA-N 2 0 277.456 2.147 20 30 CEEDRP C=CCSCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422944623 330161997 /nfs/dbraw/zinc/16/19/97/330161997.db2.gz LQNMWOMTSWQWIE-DZGCQCFKSA-N 2 0 264.438 2.454 20 30 CEEDRP C=CCCCCCN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433135422 330618008 /nfs/dbraw/zinc/61/80/08/330618008.db2.gz NMLOTRLUFKAQIW-UHFFFAOYSA-N 2 0 295.471 2.395 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552072251 334285826 /nfs/dbraw/zinc/28/58/26/334285826.db2.gz QXXCYQNEDRLTLP-INIZCTEOSA-N 2 0 265.445 2.053 20 30 CEEDRP CC(C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000104158051 624319989 /nfs/dbraw/zinc/31/99/89/624319989.db2.gz UJESUWWWFDBZNL-UHFFFAOYSA-N 2 0 288.439 2.485 20 30 CEEDRP CC[N@H+](CCNC(=[NH2+])Nc1cccc(C)c1)C1CC1 ZINC000104191608 624321432 /nfs/dbraw/zinc/32/14/32/624321432.db2.gz LBGFIRCFRKITAF-UHFFFAOYSA-N 2 0 260.385 2.206 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000157394277 624975395 /nfs/dbraw/zinc/97/53/95/624975395.db2.gz CHHVVBUAPZCXJD-ZDUSSCGKSA-N 2 0 268.449 2.057 20 30 CEEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000902394109 634633925 /nfs/dbraw/zinc/63/39/25/634633925.db2.gz WDQYSKOOXQVEIY-MRXNPFEDSA-N 2 0 271.408 2.469 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC000931467413 628603987 /nfs/dbraw/zinc/60/39/87/628603987.db2.gz JLASNXDFJQOXJT-UHFFFAOYSA-N 2 0 284.407 2.261 20 30 CEEDRP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000925815143 628870986 /nfs/dbraw/zinc/87/09/86/628870986.db2.gz UCYSJYWSNRPJKE-KCQAQPDRSA-N 2 0 273.355 2.175 20 30 CEEDRP Cc1cc(C#N)ccc1NCCN(C)CCC[NH+](C)C ZINC000894521702 629508696 /nfs/dbraw/zinc/50/86/96/629508696.db2.gz RLUFJFLDEXEAAQ-UHFFFAOYSA-N 2 0 274.412 2.162 20 30 CEEDRP C=C(Br)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250534216 629834676 /nfs/dbraw/zinc/83/46/76/629834676.db2.gz WPFKVOIWEVEULI-MNOVXSKESA-N 2 0 259.191 2.111 20 30 CEEDRP C[NH+]1CCC(C[NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000895308564 630097453 /nfs/dbraw/zinc/09/74/53/630097453.db2.gz ADQXKADJSJROEB-UHFFFAOYSA-N 2 0 257.381 2.032 20 30 CEEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c3ccccc23)CC1 ZINC000895809224 630351077 /nfs/dbraw/zinc/35/10/77/630351077.db2.gz RILJVFFHCJKJLH-UHFFFAOYSA-N 2 0 265.360 2.166 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000809602204 632107344 /nfs/dbraw/zinc/10/73/44/632107344.db2.gz KWXCCFVGUOSVHO-GOSISDBHSA-N 2 0 286.419 2.114 20 30 CEEDRP C#C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000809685843 632127237 /nfs/dbraw/zinc/12/72/37/632127237.db2.gz UWELSNIKUSRNST-SFHVURJKSA-N 2 0 285.435 2.186 20 30 CEEDRP C#C[C@@H](NCc1ncc(CN(C)C)s1)C(C)(C)C ZINC000809783034 632145555 /nfs/dbraw/zinc/14/55/55/632145555.db2.gz PPNRIAJCZZFDSP-GFCCVEGCSA-N 2 0 265.426 2.342 20 30 CEEDRP C#CC[N@H+](C)CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000815651777 633043980 /nfs/dbraw/zinc/04/39/80/633043980.db2.gz CLVJQELPSGQQBV-UHFFFAOYSA-N 2 0 291.483 2.328 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000900175186 633583409 /nfs/dbraw/zinc/58/34/09/633583409.db2.gz UPQPOSODPYKQSD-UHFFFAOYSA-N 2 0 275.396 2.195 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817916966 633775591 /nfs/dbraw/zinc/77/55/91/633775591.db2.gz BVDAAGOXWMZPPD-GOEBONIOSA-N 2 0 273.380 2.196 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000817983408 633826741 /nfs/dbraw/zinc/82/67/41/633826741.db2.gz CIWQBZQATCMREB-CQSZACIVSA-N 2 0 272.392 2.491 20 30 CEEDRP C=CCOCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903200842 635010282 /nfs/dbraw/zinc/01/02/82/635010282.db2.gz SWIHACLGAQXXQB-VHRNVKJDSA-N 2 0 264.413 2.327 20 30 CEEDRP COCC[NH2+]C1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000903460463 635126160 /nfs/dbraw/zinc/12/61/60/635126160.db2.gz DBDHPILTGNCZET-UHFFFAOYSA-N 2 0 279.428 2.017 20 30 CEEDRP C[C@@]1(C[NH3+])CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903451796 635135657 /nfs/dbraw/zinc/13/56/57/635135657.db2.gz DSJHYUJHMJGOJJ-AWEZNQCLSA-N 2 0 263.772 2.382 20 30 CEEDRP CCN(CC)c1ccc(/C=[NH+]\C[C@@H]2CCN2C)c(O)c1 ZINC000905003907 635774809 /nfs/dbraw/zinc/77/48/09/635774809.db2.gz XYFGHVPUJNLWOU-ZCQLHAAUSA-N 2 0 275.396 2.361 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826659934 635803298 /nfs/dbraw/zinc/80/32/98/635803298.db2.gz HPHUARCFTVSVBY-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N(CCC)CC[NH+]1CCCCC1 ZINC000908154613 637242325 /nfs/dbraw/zinc/24/23/25/637242325.db2.gz CVEZEBVAENSBPJ-UHFFFAOYSA-N 2 0 295.471 2.219 20 30 CEEDRP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157387712 639487147 /nfs/dbraw/zinc/48/71/47/639487147.db2.gz PPIMQJYSGILNSQ-CQSZACIVSA-N 2 0 268.449 2.011 20 30 CEEDRP C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000848924457 642196899 /nfs/dbraw/zinc/19/68/99/642196899.db2.gz SRDIIOWABAOOBB-QGZVFWFLSA-N 2 0 297.446 2.284 20 30 CEEDRP C=CCNC(=[NH2+])NCCC[N@@H+](CC)C1CCCCC1 ZINC000849047511 642256864 /nfs/dbraw/zinc/25/68/64/642256864.db2.gz ZKBUMVIRJLVLTJ-UHFFFAOYSA-N 2 0 266.433 2.331 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999152886 642464025 /nfs/dbraw/zinc/46/40/25/642464025.db2.gz MTBWEUUIZVOMGL-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999564458 642495511 /nfs/dbraw/zinc/49/55/11/642495511.db2.gz YGXUYELOHWDDKW-CQSZACIVSA-N 2 0 298.390 2.023 20 30 CEEDRP C#CCOCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000851726998 643128890 /nfs/dbraw/zinc/12/88/90/643128890.db2.gz ZFCVXYXQACUCQD-UHFFFAOYSA-N 2 0 278.440 2.224 20 30 CEEDRP C#CCCCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311234 651062714 /nfs/dbraw/zinc/06/27/14/651062714.db2.gz FRTQTPXKRAPCIW-UHFFFAOYSA-N 2 0 279.472 2.138 20 30 CEEDRP C#CC[C@@H](CCOC)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000862547318 646493240 /nfs/dbraw/zinc/49/32/40/646493240.db2.gz AXVXOMFTBHMUNA-AWEZNQCLSA-N 2 0 266.429 2.267 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873212879 649591805 /nfs/dbraw/zinc/59/18/05/649591805.db2.gz BMKOPPHBXIDVSN-PWSUYJOCSA-N 2 0 261.394 2.176 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000873239143 649605531 /nfs/dbraw/zinc/60/55/31/649605531.db2.gz OSXOEZMLHWNXCK-PBHICJAKSA-N 2 0 298.434 2.244 20 30 CEEDRP FC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](CF)C2)C1 ZINC000880236928 651406215 /nfs/dbraw/zinc/40/62/15/651406215.db2.gz MJKVQGMFQZAKKC-HOTGVXAUSA-N 2 0 284.394 2.353 20 30 CEEDRP CC1([NH+]2CCC2)CC[NH+](CCCSCC#N)CC1 ZINC000880472893 651446861 /nfs/dbraw/zinc/44/68/61/651446861.db2.gz HRGYYOHJTUFIBG-UHFFFAOYSA-N 2 0 267.442 2.193 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000883234124 652409554 /nfs/dbraw/zinc/40/95/54/652409554.db2.gz XJPLGKDUMPHYKH-QXSJWSMHSA-N 2 0 266.429 2.430 20 30 CEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001271020577 805717737 /nfs/dbraw/zinc/71/77/37/805717737.db2.gz ACFMZGXMEPZUBX-HZPDHXFCSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001271261631 805904891 /nfs/dbraw/zinc/90/48/91/805904891.db2.gz OTDXDKYKEAASQB-CVEARBPZSA-N 2 0 295.471 2.166 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001088383843 806178473 /nfs/dbraw/zinc/17/84/73/806178473.db2.gz NUFPVCCHTIJBDW-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C[NH+](C)CCC[N@H+](C)CCCc1cccc(C#N)c1 ZINC001208843896 802420915 /nfs/dbraw/zinc/42/09/15/802420915.db2.gz ARNRVHAVZUDFEB-UHFFFAOYSA-N 2 0 259.397 2.374 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038240509 803178412 /nfs/dbraw/zinc/17/84/12/803178412.db2.gz QJNPYOBIOBZFSF-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267728723 803679682 /nfs/dbraw/zinc/67/96/82/803679682.db2.gz KKCDRTSZKSWEAH-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027918148 804341939 /nfs/dbraw/zinc/34/19/39/804341939.db2.gz KQUPUYDNVNKYPO-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC1 ZINC001268055901 804351490 /nfs/dbraw/zinc/35/14/90/804351490.db2.gz PZQHYTYZBGBNSO-OAHLLOKOSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001268748099 804957654 /nfs/dbraw/zinc/95/76/54/804957654.db2.gz DJUAYIGYFINBBQ-HZPDHXFCSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)CC[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001268868361 804990409 /nfs/dbraw/zinc/99/04/09/804990409.db2.gz GLCJROCNVIXDJL-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C=C(C)C[N@@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001284552905 805202147 /nfs/dbraw/zinc/20/21/47/805202147.db2.gz ABWLBUOHCFSUSI-HNNXBMFYSA-N 2 0 283.460 2.072 20 30 CEEDRP C#CC[N@H+](C)CCCNCc1nc(-c2ccccc2)c[nH]1 ZINC001119345472 815096318 /nfs/dbraw/zinc/09/63/18/815096318.db2.gz SYOVYTHAOMSUJY-UHFFFAOYSA-N 2 0 282.391 2.121 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001122103190 807601468 /nfs/dbraw/zinc/60/14/68/807601468.db2.gz WKEBUPXTCYJILV-OAHLLOKOSA-N 2 0 293.455 2.004 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)Cn1cncc1C ZINC001171817105 815233066 /nfs/dbraw/zinc/23/30/66/815233066.db2.gz QNLQAAUBWZEQCY-AWEZNQCLSA-N 2 0 292.427 2.032 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791098 810354212 /nfs/dbraw/zinc/35/42/12/810354212.db2.gz ADVQSPZRBBTUDT-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001122002868 815376917 /nfs/dbraw/zinc/37/69/17/815376917.db2.gz LNKNIBIVZGMAPT-ILXRZTDVSA-N 2 0 281.444 2.001 20 30 CEEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCC[C@@H]1C[NH3+] ZINC001206013004 811575336 /nfs/dbraw/zinc/57/53/36/811575336.db2.gz OQTSSPLUNOWYFQ-VXGBXAGGSA-N 2 0 263.410 2.427 20 30 CEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109447653 811891378 /nfs/dbraw/zinc/89/13/78/811891378.db2.gz YQCMMXSZHYSARJ-QXSJWSMHSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152425 812792883 /nfs/dbraw/zinc/79/28/83/812792883.db2.gz CDIFYGCOLJQGMZ-GJZGRUSLSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308159 813403273 /nfs/dbraw/zinc/40/32/73/813403273.db2.gz OXOUTUNFHVXHIG-CHWSQXEVSA-N 2 0 293.411 2.014 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475474 813442695 /nfs/dbraw/zinc/44/26/95/813442695.db2.gz AVZICTCMEZYCTM-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980592 813577080 /nfs/dbraw/zinc/57/70/80/813577080.db2.gz QHBYDFVEYIKJJK-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C[NH+]1CCC(Oc2cc[nH+]c(NCCCS)c2)CC1 ZINC001159871593 813693980 /nfs/dbraw/zinc/69/39/80/813693980.db2.gz LMDCQKJRYCQKQI-UHFFFAOYSA-N 2 0 281.425 2.286 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398509 814281457 /nfs/dbraw/zinc/28/14/57/814281457.db2.gz PGKAAISLTDDHSF-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603686 814299950 /nfs/dbraw/zinc/29/99/50/814299950.db2.gz YLMXQXNGWRVBIP-GJZGRUSLSA-N 2 0 283.460 2.166 20 30 CEEDRP N#CC1(C[NH2+]C2CCC([NH+]3CCOCC3)CC2)CCCC1 ZINC001256676443 814551369 /nfs/dbraw/zinc/55/13/69/814551369.db2.gz CWHANEYDONYNQQ-UHFFFAOYSA-N 2 0 291.439 2.303 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001173312997 815664520 /nfs/dbraw/zinc/66/45/20/815664520.db2.gz PMJVVKWMSHFBEK-QQFBHYJXSA-N 2 0 266.429 2.432 20 30 CEEDRP C#CCOc1ccc(CN2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)cc1 ZINC001138560626 815830259 /nfs/dbraw/zinc/83/02/59/815830259.db2.gz DGFUXYFQTGKPCT-CALCHBBNSA-N 2 0 284.403 2.082 20 30 CEEDRP C[NH+]1CCN(c2ccccc2C[NH+]2CCC(C#N)CC2)CC1 ZINC001140968514 816426744 /nfs/dbraw/zinc/42/67/44/816426744.db2.gz LLORCJALLOFQTQ-UHFFFAOYSA-N 2 0 298.434 2.174 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176563619 816441477 /nfs/dbraw/zinc/44/14/77/816441477.db2.gz GGMXYBGQFOGPGA-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179498644 816871530 /nfs/dbraw/zinc/87/15/30/816871530.db2.gz AYEDYFDQEKRWGL-MRXNPFEDSA-N 2 0 297.487 2.415 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCC(C)(C)C#N ZINC000345735256 282211104 /nfs/dbraw/zinc/21/11/04/282211104.db2.gz ZJMGHFZTVICMAD-RBSFLKMASA-N 2 0 279.428 2.110 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@H+](C)Cc1ccccc1 ZINC000060344338 343656681 /nfs/dbraw/zinc/65/66/81/343656681.db2.gz IGODKJSOTIVEQY-AWEZNQCLSA-N 2 0 276.428 2.211 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602516401 347064392 /nfs/dbraw/zinc/06/43/92/347064392.db2.gz KQKQXHRFHQGHHD-PMPSAXMXSA-N 2 0 291.439 2.302 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000399137771 344857223 /nfs/dbraw/zinc/85/72/23/344857223.db2.gz SDOULUFPOVLHCP-IRXDYDNUSA-N 2 0 269.392 2.469 20 30 CEEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573302 345265328 /nfs/dbraw/zinc/26/53/28/345265328.db2.gz HZJABLZQMPNUNM-VHSXEESVSA-N 2 0 251.761 2.427 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000591580020 345266648 /nfs/dbraw/zinc/26/66/48/345266648.db2.gz HDAKLZYJQPVNFS-HOTGVXAUSA-N 2 0 267.376 2.277 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000591581805 345266691 /nfs/dbraw/zinc/26/66/91/345266691.db2.gz WFYWMSZDDRXTAP-ABAIWWIYSA-N 2 0 273.355 2.490 20 30 CEEDRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000593319072 345465968 /nfs/dbraw/zinc/46/59/68/345465968.db2.gz JCOHRXMAQMIJKR-LLVKDONJSA-N 2 0 261.344 2.477 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000595051881 345735358 /nfs/dbraw/zinc/73/53/58/345735358.db2.gz WNIUUKMBGCOEKF-HZPDHXFCSA-N 2 0 291.439 2.159 20 30 CEEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654472 347125567 /nfs/dbraw/zinc/12/55/67/347125567.db2.gz BVONIFKKQIWWBC-HZPDHXFCSA-N 2 0 293.455 2.405 20 30 CEEDRP N#Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995109 347730182 /nfs/dbraw/zinc/73/01/82/347730182.db2.gz HQYXALGZFMKMAU-YJBOKZPZSA-N 2 0 296.418 2.402 20 30 CEEDRP C=CCN1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407835 350010944 /nfs/dbraw/zinc/01/09/44/350010944.db2.gz ZAOGTCXTBYLWEC-HNNXBMFYSA-N 3 0 265.445 2.099 20 30 CEEDRP CCC[NH+]1CCC([N@H+](C)CCCSCC#N)CC1 ZINC000080737636 363681328 /nfs/dbraw/zinc/68/13/28/363681328.db2.gz QMWJFHOOPBNOPM-UHFFFAOYSA-N 2 0 269.458 2.439 20 30 CEEDRP C#CCOc1ccc([C@@H](C)NCCC[NH+](C)C)cc1 ZINC000151924873 366676200 /nfs/dbraw/zinc/67/62/00/366676200.db2.gz BYBWCFWVXMPDDL-CQSZACIVSA-N 2 0 260.381 2.301 20 30 CEEDRP COCC#CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000677819653 541046998 /nfs/dbraw/zinc/04/69/98/541046998.db2.gz IMFNKIUHIQPDKM-UHFFFAOYSA-N 2 0 278.440 2.224 20 30 CEEDRP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000582958737 366981779 /nfs/dbraw/zinc/98/17/79/366981779.db2.gz ZMMCECMBYSLQSW-XJKSGUPXSA-N 2 0 257.381 2.078 20 30 CEEDRP C=CCCCCC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000193340165 369929451 /nfs/dbraw/zinc/92/94/51/369929451.db2.gz IILKZSOLJYLUCN-KRWDZBQOSA-N 2 0 279.472 2.445 20 30 CEEDRP COc1cc(C[NH2+]CCC2CC[NH+](C)CC2)ccc1C#N ZINC000234908585 370548609 /nfs/dbraw/zinc/54/86/09/370548609.db2.gz NNODDAMGADUZGK-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2CN(CCOc3ccccc3C#N)CC[C@H]21 ZINC000247967046 371150362 /nfs/dbraw/zinc/15/03/62/371150362.db2.gz IENDDQIQQNWPAL-IAGOWNOFSA-N 2 0 299.418 2.353 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000264045826 371957281 /nfs/dbraw/zinc/95/72/81/371957281.db2.gz KQOPZOAXKSDOLN-KBPBESRZSA-N 2 0 292.427 2.065 20 30 CEEDRP CCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264092802 371967430 /nfs/dbraw/zinc/96/74/30/371967430.db2.gz LKFNGXBMYZSWCH-HNNXBMFYSA-N 2 0 274.412 2.056 20 30 CEEDRP CNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000264112688 371971774 /nfs/dbraw/zinc/97/17/74/371971774.db2.gz RPAYCFNPBSYOJU-UHFFFAOYSA-N 2 0 274.412 2.097 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC000264118551 371973992 /nfs/dbraw/zinc/97/39/92/371973992.db2.gz UAGIJDAFIVAKLY-CYBMUJFWSA-N 2 0 290.411 2.154 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000332384419 377583695 /nfs/dbraw/zinc/58/36/95/377583695.db2.gz IOGMFKVCVWAPFD-RDJZCZTQSA-N 2 0 298.434 2.387 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000305071074 379620635 /nfs/dbraw/zinc/62/06/35/379620635.db2.gz JIZTUTPSRVQBLL-JKSUJKDBSA-N 2 0 266.429 2.121 20 30 CEEDRP CCC(CC)[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000303364887 394479503 /nfs/dbraw/zinc/47/95/03/394479503.db2.gz GCHGDBZQZPSWQK-HNNXBMFYSA-N 2 0 282.476 2.399 20 30 CEEDRP C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000320661404 394546391 /nfs/dbraw/zinc/54/63/91/394546391.db2.gz QOGQSDPVYLCNKH-RRFJBIMHSA-N 2 0 254.418 2.214 20 30 CEEDRP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000414822130 394751829 /nfs/dbraw/zinc/75/18/29/394751829.db2.gz MPROVPUMVSKRSN-SWLSCSKDSA-N 2 0 273.380 2.045 20 30 CEEDRP C=CCOCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083188 394941573 /nfs/dbraw/zinc/94/15/73/394941573.db2.gz DHMXXLBWRGTQJR-GJZGRUSLSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367619897 394966986 /nfs/dbraw/zinc/96/69/86/394966986.db2.gz PSJFEKVBTDHPKL-BRWVUGGUSA-N 2 0 277.456 2.099 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367619881 394967039 /nfs/dbraw/zinc/96/70/39/394967039.db2.gz PSJFEKVBTDHPKL-BBWFWOEESA-N 2 0 277.456 2.099 20 30 CEEDRP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000348049671 395134401 /nfs/dbraw/zinc/13/44/01/395134401.db2.gz JAKRZIZBIZMBMN-GJZGRUSLSA-N 2 0 254.418 2.384 20 30 CEEDRP C=C(CC)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348832943 395152556 /nfs/dbraw/zinc/15/25/56/395152556.db2.gz KQEFMTLLPGVFAK-UHFFFAOYSA-N 2 0 279.472 2.302 20 30 CEEDRP C[C@@H]1C[N@H+](CCCNCc2cc(C#N)cs2)CCCO1 ZINC000432362652 395170432 /nfs/dbraw/zinc/17/04/32/395170432.db2.gz NVQMHHVCODUYPT-CYBMUJFWSA-N 2 0 293.436 2.210 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149529 395179531 /nfs/dbraw/zinc/17/95/31/395179531.db2.gz WFSXVYZBWBSFMB-KEYYUXOJSA-N 2 0 287.407 2.407 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000665229903 415632246 /nfs/dbraw/zinc/63/22/46/415632246.db2.gz GCODKTXIXQRCPP-QLFBSQMISA-N 2 0 254.418 2.465 20 30 CEEDRP C=CC[C@]1(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000662746290 415951161 /nfs/dbraw/zinc/95/11/61/415951161.db2.gz RXNFBTZCOUFVPE-NVXWUHKLSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415042579 263257446 /nfs/dbraw/zinc/25/74/46/263257446.db2.gz RALOBCHQUJCMOP-GJZGRUSLSA-N 2 0 260.381 2.468 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000129110731 277068715 /nfs/dbraw/zinc/06/87/15/277068715.db2.gz ASMVCADYTPYNLL-SQNIBIBYSA-N 2 0 299.418 2.008 20 30 CEEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288752227 328253498 /nfs/dbraw/zinc/25/34/98/328253498.db2.gz QYKBYQNQHFWULG-UHFFFAOYSA-N 2 0 284.354 2.279 20 30 CEEDRP CNC(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000290498551 327198219 /nfs/dbraw/zinc/19/82/19/327198219.db2.gz HMWDLIDIQHMHPO-INIZCTEOSA-N 2 0 288.439 2.084 20 30 CEEDRP CC[C@]1(C)CCN(C(NCC(C)(C)[NH+](C)C)=[NH+]C)C1 ZINC000261770660 329982451 /nfs/dbraw/zinc/98/24/51/329982451.db2.gz OATWVNHIEZQWSH-OAHLLOKOSA-N 2 0 268.449 2.024 20 30 CEEDRP C[C@@H]1CCCN(C(=[NH2+])NC2CC([NH+]3CCCCC3)C2)C1 ZINC000262494155 330017659 /nfs/dbraw/zinc/01/76/59/330017659.db2.gz VTZBWZGKIIIYMT-WLYUNCDWSA-N 2 0 278.444 2.050 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827689 330156455 /nfs/dbraw/zinc/15/64/55/330156455.db2.gz FAWXOZPRSLGXSB-HRCADAONSA-N 2 0 265.445 2.154 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422974517 330164680 /nfs/dbraw/zinc/16/46/80/330164680.db2.gz FAQAZVMXINGRRO-GDBMZVCRSA-N 2 0 265.445 2.005 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095697 330169779 /nfs/dbraw/zinc/16/97/79/330169779.db2.gz MZVZKZRFTBQEEB-TUVASFSCSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000424375271 330348401 /nfs/dbraw/zinc/34/84/01/330348401.db2.gz KDEZCKZZEBXLQM-HJWJTTGWSA-N 2 0 274.408 2.126 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000424375272 330348463 /nfs/dbraw/zinc/34/84/63/330348463.db2.gz KDEZCKZZEBXLQM-IWCQGFGOSA-N 2 0 274.408 2.126 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1CCCN1CCCO)C1CC1 ZINC000453256986 331108288 /nfs/dbraw/zinc/10/82/88/331108288.db2.gz GSHYROCEXBLUKG-CVEARBPZSA-N 2 0 266.429 2.168 20 30 CEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000981556753 613312439 /nfs/dbraw/zinc/31/24/39/613312439.db2.gz PBHNMQWHLMZYAQ-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000963912583 613859187 /nfs/dbraw/zinc/85/91/87/613859187.db2.gz MWSVKUAJIMQCGN-FHERZECASA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001020907029 622920900 /nfs/dbraw/zinc/92/09/00/622920900.db2.gz QAMXYNFHFZSVDM-JYJNAYRXSA-N 2 0 293.455 2.064 20 30 CEEDRP CC(C)Oc1ccc(NC(=[NH2+])NCCC[NH+](C)C)cc1 ZINC000104152833 624319509 /nfs/dbraw/zinc/31/95/09/624319509.db2.gz XBKIVEFFOGDOIB-UHFFFAOYSA-N 2 0 278.400 2.152 20 30 CEEDRP C[N@H+](CCNC(=[NH2+])NC1CCCCC1)C1CCCCC1 ZINC000104168525 624320121 /nfs/dbraw/zinc/32/01/21/624320121.db2.gz PUJLRJOYWALMNU-UHFFFAOYSA-N 2 0 280.460 2.488 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001022808213 624630896 /nfs/dbraw/zinc/63/08/96/624630896.db2.gz QZIOWQNCCPIUHA-XHSDSOJGSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CCN(CCc1ccccc1)C[C@H](O)C[NH+]1CCCC1 ZINC000744738862 627695157 /nfs/dbraw/zinc/69/51/57/627695157.db2.gz PZJFNHFBEQMHLM-SFHVURJKSA-N 2 0 288.435 2.174 20 30 CEEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000902362060 634617459 /nfs/dbraw/zinc/61/74/59/634617459.db2.gz UXCHSUAVZDRGAA-HNNXBMFYSA-N 2 0 287.407 2.457 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)c2cccc3nccn32)CC1 ZINC001026527410 628349841 /nfs/dbraw/zinc/34/98/41/628349841.db2.gz NODGQZPGBMLLKU-UHFFFAOYSA-N 2 0 298.390 2.151 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925702429 628540869 /nfs/dbraw/zinc/54/08/69/628540869.db2.gz CUQOLCAPNYBCDM-XUXIUFHCSA-N 2 0 252.402 2.073 20 30 CEEDRP CCCCCCCCNC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000104172184 628680614 /nfs/dbraw/zinc/68/06/14/628680614.db2.gz NPSKGNMGGCGBGJ-CQSZACIVSA-N 2 0 268.449 2.203 20 30 CEEDRP CSc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1C#N ZINC000925774556 628789851 /nfs/dbraw/zinc/78/98/51/628789851.db2.gz WNKCZBVDKWKNQH-QWRGUYRKSA-N 2 0 263.410 2.496 20 30 CEEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000925023109 629369496 /nfs/dbraw/zinc/36/94/96/629369496.db2.gz KWTYLDVWYYHKQE-CABCVRRESA-N 2 0 281.444 2.141 20 30 CEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000925023112 629369821 /nfs/dbraw/zinc/36/98/21/629369821.db2.gz KWTYLDVWYYHKQE-LSDHHAIUSA-N 2 0 281.444 2.141 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895292228 630083466 /nfs/dbraw/zinc/08/34/66/630083466.db2.gz NPLDUARTCUNZAP-KGLIPLIRSA-N 2 0 267.417 2.015 20 30 CEEDRP CCNC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000304603429 631103572 /nfs/dbraw/zinc/10/35/72/631103572.db2.gz HXMMISAFIZVCML-DGCLKSJQSA-N 2 0 280.441 2.055 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)[C@H]1C ZINC000986427783 631239330 /nfs/dbraw/zinc/23/93/30/631239330.db2.gz UKCKUWQZEOXFGW-GXTWGEPZSA-N 2 0 298.390 2.332 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000900214409 633594556 /nfs/dbraw/zinc/59/45/56/633594556.db2.gz DTXVASOKJIMINS-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C[C@H](C#N)OCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937815 634881502 /nfs/dbraw/zinc/88/15/02/634881502.db2.gz AKGKKTHSYQBTAO-QLFBSQMISA-N 2 0 279.428 2.158 20 30 CEEDRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017957 634927210 /nfs/dbraw/zinc/92/72/10/634927210.db2.gz ULVXJMVDVHILTQ-KBPBESRZSA-N 2 0 272.396 2.336 20 30 CEEDRP N#CC1CCC(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000903452662 635137049 /nfs/dbraw/zinc/13/70/49/635137049.db2.gz PTCBOTSOQCEDFD-GPANFISMSA-N 2 0 261.413 2.392 20 30 CEEDRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903482477 635151256 /nfs/dbraw/zinc/15/12/56/635151256.db2.gz IZFLNEISMOHEEW-CHWSQXEVSA-N 2 0 263.772 2.427 20 30 CEEDRP C=CC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903729550 635240908 /nfs/dbraw/zinc/24/09/08/635240908.db2.gz OPKGTOPHQHIMSC-OAHLLOKOSA-N 2 0 264.413 2.043 20 30 CEEDRP C=CCCC[N@@H+](CC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849255 635303159 /nfs/dbraw/zinc/30/31/59/635303159.db2.gz BOSMBPZVUKTLDV-OAHLLOKOSA-N 2 0 266.429 2.433 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911670601 638344079 /nfs/dbraw/zinc/34/40/79/638344079.db2.gz NKVVVXBWVVYPHK-HNNXBMFYSA-N 2 0 283.460 2.262 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000912804078 639025961 /nfs/dbraw/zinc/02/59/61/639025961.db2.gz WSHCWBGBYWMMPS-CVEARBPZSA-N 2 0 295.471 2.073 20 30 CEEDRP CC(C)NC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052649 642042561 /nfs/dbraw/zinc/04/25/61/642042561.db2.gz GBTQOLAVASQBLR-CQSZACIVSA-N 2 0 276.428 2.210 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999306658 642478219 /nfs/dbraw/zinc/47/82/19/642478219.db2.gz LAEUFZAJIXNHJD-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](CN(C)C)OCC)C1 ZINC000922755813 643246678 /nfs/dbraw/zinc/24/66/78/643246678.db2.gz IGXBWYVOALGGNV-QLFBSQMISA-N 2 0 254.418 2.288 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000838281556 643895990 /nfs/dbraw/zinc/89/59/90/643895990.db2.gz YSABXRCWLCMXQQ-UHFFFAOYSA-N 2 0 275.396 2.113 20 30 CEEDRP C[C@@H](C#N)OCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212421 645422358 /nfs/dbraw/zinc/42/23/58/645422358.db2.gz JMPCIMXRWLARMV-AWEZNQCLSA-N 2 0 275.396 2.109 20 30 CEEDRP C=CC[C@@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000878158771 651018426 /nfs/dbraw/zinc/01/84/26/651018426.db2.gz OEFQZKLRNVFIGE-CABCVRRESA-N 2 0 254.418 2.384 20 30 CEEDRP CCC[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866613372 647842441 /nfs/dbraw/zinc/84/24/41/647842441.db2.gz BAZNNOWWXSJFNL-SFHVURJKSA-N 2 0 283.419 2.489 20 30 CEEDRP C[N@@H+]1CCC[C@H]1CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586522 651327888 /nfs/dbraw/zinc/32/78/88/651327888.db2.gz MWEWCZAFUQRWBP-KRWDZBQOSA-N 2 0 298.434 2.165 20 30 CEEDRP C#CCOCCN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000880022071 651375802 /nfs/dbraw/zinc/37/58/02/651375802.db2.gz IRRFNNTZHMDSAA-RBUKOAKNSA-N 2 0 298.430 2.090 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168030053 805821836 /nfs/dbraw/zinc/82/18/36/805821836.db2.gz MCGXBPZLBTUPAT-HZPDHXFCSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000715051412 814925798 /nfs/dbraw/zinc/92/57/98/814925798.db2.gz CDHCQGUXOMFSHU-GARJFASQSA-N 2 0 250.308 2.410 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001271425663 805939143 /nfs/dbraw/zinc/93/91/43/805939143.db2.gz IXDNFOUHTVHKQY-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381782 806174065 /nfs/dbraw/zinc/17/40/65/806174065.db2.gz MMAXMKNJSOHNRF-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP CN(C)/C=[NH+]/c1ccc(NC2(C)CC[NH2+]CC2)cc1C#N ZINC001168188326 806390713 /nfs/dbraw/zinc/39/07/13/806390713.db2.gz RRJIJPOVAZHVQU-XDHOZWIPSA-N 2 0 285.395 2.334 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001272111034 806552388 /nfs/dbraw/zinc/55/23/88/806552388.db2.gz LGGBPPGWXFKGST-UHFFFAOYSA-N 2 0 297.487 2.321 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001266482467 802625102 /nfs/dbraw/zinc/62/51/02/802625102.db2.gz CBHRONILEUUQRW-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198419 802648157 /nfs/dbraw/zinc/64/81/57/802648157.db2.gz LXLAEMMACAGGOC-HZPDHXFCSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267094619 803119032 /nfs/dbraw/zinc/11/90/32/803119032.db2.gz VCUPLXRHMZAEHD-JKSUJKDBSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267627582 803630865 /nfs/dbraw/zinc/63/08/65/803630865.db2.gz IHTNFQKETHWFAD-HOTGVXAUSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)C[NH+](C)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001267752048 803709966 /nfs/dbraw/zinc/70/99/66/803709966.db2.gz DSLCFQKUKWCNTF-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001268006214 803912472 /nfs/dbraw/zinc/91/24/72/803912472.db2.gz XTYGXBJKDJUOTN-HNNXBMFYSA-N 2 0 295.471 2.026 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028335520 804718154 /nfs/dbraw/zinc/71/81/54/804718154.db2.gz WRICOSVCOHHHAX-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP N#Cc1cccc(CCC[N@H+]2CCC[C@@H]([NH3+])CC2)c1 ZINC001205093437 807568587 /nfs/dbraw/zinc/56/85/87/807568587.db2.gz ABKUPSDAZNRYFN-MRXNPFEDSA-N 2 0 257.381 2.304 20 30 CEEDRP C#CC[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625150 815137269 /nfs/dbraw/zinc/13/72/69/815137269.db2.gz LZKPLWRMRCZQEC-RDGPPVDQSA-N 2 0 298.430 2.013 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206153385 815265828 /nfs/dbraw/zinc/26/58/28/815265828.db2.gz VNXIFRBJSRQUNW-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nccn2CC1 ZINC001172311743 815365948 /nfs/dbraw/zinc/36/59/48/815365948.db2.gz XHSOWIMLYGXDKB-AWEZNQCLSA-N 2 0 280.375 2.244 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001019466266 810713587 /nfs/dbraw/zinc/71/35/87/810713587.db2.gz UPRZZWUUAVKHPS-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1cccc(C#N)c1)C2 ZINC001169114802 811406946 /nfs/dbraw/zinc/40/69/46/811406946.db2.gz YSHASJAOWXKXAY-MUJYYYPQSA-N 2 0 285.391 2.152 20 30 CEEDRP C=C(C)CN1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001113438795 812241436 /nfs/dbraw/zinc/24/14/36/812241436.db2.gz HFQHJCYRARQGDL-UHFFFAOYSA-N 2 0 295.471 2.219 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430240 812494436 /nfs/dbraw/zinc/49/44/36/812494436.db2.gz PWCSJBUHBBOFBV-INIZCTEOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@H]1C ZINC001132434091 812849528 /nfs/dbraw/zinc/84/95/28/812849528.db2.gz TYFPXPUXTMEYTR-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052255163 812958406 /nfs/dbraw/zinc/95/84/06/812958406.db2.gz WRKWKRSAIXIYSY-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612378 813297443 /nfs/dbraw/zinc/29/74/43/813297443.db2.gz LUNBZWBDPXHXDX-CABCVRRESA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134762993 813321948 /nfs/dbraw/zinc/32/19/48/813321948.db2.gz JWEUXNDZHALQTC-CVEARBPZSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858055 813337165 /nfs/dbraw/zinc/33/71/65/813337165.db2.gz NHFPJIIZMZIDSY-LSDHHAIUSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858053 813337446 /nfs/dbraw/zinc/33/74/46/813337446.db2.gz NHFPJIIZMZIDSY-GJZGRUSLSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377854 813419715 /nfs/dbraw/zinc/41/97/15/813419715.db2.gz DXSMUNWACMVEDH-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135747878 813517002 /nfs/dbraw/zinc/51/70/02/813517002.db2.gz WFIXYAKTTBRMNF-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838884 813678617 /nfs/dbraw/zinc/67/86/17/813678617.db2.gz PXRRNTQOTJQFIH-MRXNPFEDSA-N 2 0 295.471 2.026 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001159838883 813678762 /nfs/dbraw/zinc/67/87/62/813678762.db2.gz PXRRNTQOTJQFIH-INIZCTEOSA-N 2 0 295.471 2.026 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001171212684 814164959 /nfs/dbraw/zinc/16/49/59/814164959.db2.gz PNTNKUVZXVNDBV-OLMNPRSZSA-N 2 0 283.419 2.373 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248445 814223120 /nfs/dbraw/zinc/22/31/20/814223120.db2.gz VFWLPGMLSSZGKC-GDBMZVCRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537647 814295106 /nfs/dbraw/zinc/29/51/06/814295106.db2.gz ZDNDXIHYSYCXJN-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP CN(C)/C=[NH+]/c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1C#N ZINC001171335738 814603156 /nfs/dbraw/zinc/60/31/56/814603156.db2.gz SGRNLOVYGPXKQJ-SLDJAQPHSA-N 2 0 285.395 2.334 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174961148 816116291 /nfs/dbraw/zinc/11/62/91/816116291.db2.gz KQVGBPOKXRRCPR-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175305011 816170601 /nfs/dbraw/zinc/17/06/01/816170601.db2.gz NUJNHBKCZAIGJH-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)CCCC[NH+]1CCCC1 ZINC001177331062 816547870 /nfs/dbraw/zinc/54/78/70/816547870.db2.gz GQGNLBPBGQRDRO-UHFFFAOYSA-N 2 0 295.471 2.315 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179400448 816857225 /nfs/dbraw/zinc/85/72/25/816857225.db2.gz PHVFLEHHBRFTNU-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP CC1(C#N)CCC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000602020575 346962225 /nfs/dbraw/zinc/96/22/25/346962225.db2.gz MTXAFLVPUPWLAR-UHFFFAOYSA-N 2 0 299.422 2.376 20 30 CEEDRP Cc1ccc([C@@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCC2)cc1 ZINC000066243869 343710065 /nfs/dbraw/zinc/71/00/65/343710065.db2.gz VVAZPXOFIMBNRI-MRXNPFEDSA-N 2 0 286.423 2.199 20 30 CEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602480740 347053027 /nfs/dbraw/zinc/05/30/27/347053027.db2.gz XUEMZXLIYPKUMI-CVEARBPZSA-N 2 0 281.444 2.359 20 30 CEEDRP N#Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492196 345360027 /nfs/dbraw/zinc/36/00/27/345360027.db2.gz VOUXQIMSMVBRHM-LSDHHAIUSA-N 2 0 284.407 2.165 20 30 CEEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320242 345466088 /nfs/dbraw/zinc/46/60/88/345466088.db2.gz BNRQVSPXVMDVOG-FZMZJTMJSA-N 2 0 261.344 2.456 20 30 CEEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509527 345799063 /nfs/dbraw/zinc/79/90/63/345799063.db2.gz GWIKTPUABZBYGI-KRWDZBQOSA-N 2 0 269.392 2.128 20 30 CEEDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCCSCC#N)C2 ZINC000595508149 345799374 /nfs/dbraw/zinc/79/93/74/345799374.db2.gz UMGXHYVBGRIMCA-CQSZACIVSA-N 2 0 267.442 2.051 20 30 CEEDRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C#N ZINC000600709064 346675193 /nfs/dbraw/zinc/67/51/93/346675193.db2.gz NYPZCYMZLVHIHD-BHYGNILZSA-N 2 0 269.392 2.426 20 30 CEEDRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000603433582 347369366 /nfs/dbraw/zinc/36/93/66/347369366.db2.gz UCTZGSGAIJLWMQ-PCKAHOCUSA-N 2 0 281.444 2.141 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000610994669 347729721 /nfs/dbraw/zinc/72/97/21/347729721.db2.gz MDUWZSGJFLTJET-XJKSGUPXSA-N 2 0 272.396 2.258 20 30 CEEDRP CC[N@H+](CC#CCOC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062704 350645862 /nfs/dbraw/zinc/64/58/62/350645862.db2.gz COQIXFDNWJWTTP-UHFFFAOYSA-N 2 0 274.408 2.220 20 30 CEEDRP COCC#CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694803 539945062 /nfs/dbraw/zinc/94/50/62/539945062.db2.gz FYJVFAYEFDHIKH-OAHLLOKOSA-N 2 0 287.407 2.049 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024271 364366779 /nfs/dbraw/zinc/36/67/79/364366779.db2.gz CCAVXYZOTIKYHM-NHYWBVRUSA-N 2 0 261.344 2.175 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000335539561 212237962 /nfs/dbraw/zinc/23/79/62/212237962.db2.gz PALUMNVAGFKWNX-QGZVFWFLSA-N 2 0 269.392 2.380 20 30 CEEDRP CC[NH+]1CCC([NH2+]CCc2cccc(C#N)c2)CC1 ZINC000343632800 367928666 /nfs/dbraw/zinc/92/86/66/367928666.db2.gz ZNUKGSQHLYFHIB-UHFFFAOYSA-N 2 0 257.381 2.175 20 30 CEEDRP C=CCc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(OC)c1O ZINC000346683868 368768863 /nfs/dbraw/zinc/76/88/63/368768863.db2.gz FYSYGJSVPHPESQ-UHFFFAOYSA-N 2 0 290.407 2.300 20 30 CEEDRP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000351412171 369635234 /nfs/dbraw/zinc/63/52/34/369635234.db2.gz LPOCJMUKIDBRFS-KFWWJZLASA-N 2 0 254.418 2.118 20 30 CEEDRP CCC[NH+]1CCC(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352823178 369896061 /nfs/dbraw/zinc/89/60/61/369896061.db2.gz MNHLFJKYZAWONB-UHFFFAOYSA-N 2 0 278.425 2.226 20 30 CEEDRP N#CCC[C@H](C#N)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246824459 371017170 /nfs/dbraw/zinc/01/71/70/371017170.db2.gz NWRFMOJZAQQRIN-INMHGKMJSA-N 2 0 286.423 2.379 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943434 371148871 /nfs/dbraw/zinc/14/88/71/371148871.db2.gz GVQFZXJVLKSFEW-SJLPKXTDSA-N 2 0 299.418 2.353 20 30 CEEDRP CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000264056788 371958941 /nfs/dbraw/zinc/95/89/41/371958941.db2.gz BHEBQIQZDONFHE-AWEZNQCLSA-N 2 0 288.439 2.343 20 30 CEEDRP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264063522 371959416 /nfs/dbraw/zinc/95/94/16/371959416.db2.gz DJYWTFRFRSFSMP-UHFFFAOYSA-N 2 0 288.439 2.439 20 30 CEEDRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269138082 372353941 /nfs/dbraw/zinc/35/39/41/372353941.db2.gz WFBQDZZWXRPEGA-IAGOWNOFSA-N 2 0 269.392 2.474 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)CC[NH+](CC)CC)C1 ZINC000641770694 372713121 /nfs/dbraw/zinc/71/31/21/372713121.db2.gz ZUOHIHHIEZSJNS-OWCLPIDISA-N 2 0 268.445 2.414 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000270413264 372778220 /nfs/dbraw/zinc/77/82/20/372778220.db2.gz CNHLFIRAWPGWHC-AWEZNQCLSA-N 2 0 274.408 2.480 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429894 220078963 /nfs/dbraw/zinc/07/89/63/220078963.db2.gz VDIMEIAZVUVNKF-WMLDXEAASA-N 2 0 269.392 2.477 20 30 CEEDRP C=CCOCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479662 373145510 /nfs/dbraw/zinc/14/55/10/373145510.db2.gz YSLASPCOMPXAEJ-RDJZCZTQSA-N 2 0 288.391 2.035 20 30 CEEDRP COc1ccc(C#N)cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000372989420 374236728 /nfs/dbraw/zinc/23/67/28/374236728.db2.gz JTZDFNSOYWEVRP-INIZCTEOSA-N 2 0 287.407 2.483 20 30 CEEDRP C[C@H](CCN1CCC(C#N)CC1)[NH+]1CCC(C#N)CC1 ZINC000408385386 375467031 /nfs/dbraw/zinc/46/70/31/375467031.db2.gz KEAAZLIPOGHEFD-CQSZACIVSA-N 2 0 274.412 2.236 20 30 CEEDRP C[C@@H](CCN1CCC(C#N)CC1)[NH+]1CCC(C#N)CC1 ZINC000408385384 375467167 /nfs/dbraw/zinc/46/71/67/375467167.db2.gz KEAAZLIPOGHEFD-AWEZNQCLSA-N 2 0 274.412 2.236 20 30 CEEDRP COc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000290434471 376776766 /nfs/dbraw/zinc/77/67/66/376776766.db2.gz LLKYBJLFUKLOAZ-BBRMVZONSA-N 2 0 287.407 2.339 20 30 CEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000436291181 377822307 /nfs/dbraw/zinc/82/23/07/377822307.db2.gz JPXBLFRVKRBTOX-GDBMZVCRSA-N 2 0 266.429 2.430 20 30 CEEDRP CC#CC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364473004 262248145 /nfs/dbraw/zinc/24/81/45/262248145.db2.gz ZJFFRBWVDPODGZ-DOMZBBRYSA-N 2 0 277.437 2.275 20 30 CEEDRP Cc1ccc([C@@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262686651 394624194 /nfs/dbraw/zinc/62/41/94/394624194.db2.gz YODJJKZUEBGVBH-GDBMZVCRSA-N 2 0 286.423 2.069 20 30 CEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000104172411 394718907 /nfs/dbraw/zinc/71/89/07/394718907.db2.gz SIHDSFQFIAEONN-ZDUSSCGKSA-N 2 0 286.423 2.244 20 30 CEEDRP C=CCC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000338570407 394923612 /nfs/dbraw/zinc/92/36/12/394923612.db2.gz IJAZOLIJKVDUEG-KRWDZBQOSA-N 2 0 274.408 2.131 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000289895327 395089669 /nfs/dbraw/zinc/08/96/69/395089669.db2.gz SUXIASWCZQZOFT-ZJPYXAASSA-N 2 0 286.419 2.034 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840967 395109635 /nfs/dbraw/zinc/10/96/35/395109635.db2.gz GXYAFTHUMYGKIB-NUEKZKHPSA-N 2 0 272.392 2.421 20 30 CEEDRP C#CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319795 395136939 /nfs/dbraw/zinc/13/69/39/395136939.db2.gz ZKXGJUZDLIEAIM-ROUUACIJSA-N 2 0 268.404 2.464 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000352901165 395274371 /nfs/dbraw/zinc/27/43/71/395274371.db2.gz LASJJNQERVQVMU-YOEHRIQHSA-N 2 0 277.456 2.099 20 30 CEEDRP N#CCC[C@@H](C#N)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000573111737 395600427 /nfs/dbraw/zinc/60/04/27/395600427.db2.gz LQDJPFUBELKNHW-HNNXBMFYSA-N 2 0 262.401 2.286 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792871 395755447 /nfs/dbraw/zinc/75/54/47/395755447.db2.gz CJPQRPNQOQSYNS-HLLBOEOZSA-N 2 0 277.456 2.005 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000651675301 401369739 /nfs/dbraw/zinc/36/97/39/401369739.db2.gz PALJDHYJZLWTPR-NVXWUHKLSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCCn1cc(C[NH2+]CCC2CC[NH+](CC)CC2)nn1 ZINC000657377203 414897992 /nfs/dbraw/zinc/89/79/92/414897992.db2.gz ROEPCFVSFYSMHR-UHFFFAOYSA-N 2 0 291.443 2.066 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657873308 415110745 /nfs/dbraw/zinc/11/07/45/415110745.db2.gz SEKSFFNLRRZGSD-ZACQAIPSSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658206103 415256799 /nfs/dbraw/zinc/25/67/99/415256799.db2.gz MIMJZKAYRCDYLR-ZNMIVQPWSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CC[C@@]1(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710187 415939087 /nfs/dbraw/zinc/93/90/87/415939087.db2.gz FMWKXPYVLKNUKE-UXLLHSPISA-N 2 0 293.455 2.064 20 30 CEEDRP CC#CC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@H]1C ZINC000364473005 262248083 /nfs/dbraw/zinc/24/80/83/262248083.db2.gz ZJFFRBWVDPODGZ-IUODEOHRSA-N 2 0 277.437 2.275 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370161402 267296453 /nfs/dbraw/zinc/29/64/53/267296453.db2.gz KFTWPDFXTVEBNL-TZMCWYRMSA-N 2 0 292.452 2.431 20 30 CEEDRP C=CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000364226677 327871777 /nfs/dbraw/zinc/87/17/77/327871777.db2.gz ALPVHRPNOVKPIM-HUUCEWRRSA-N 2 0 266.429 2.384 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000436299349 328154676 /nfs/dbraw/zinc/15/46/76/328154676.db2.gz JRLXFUOKHMUWQM-FZKCQIBNSA-N 2 0 266.429 2.288 20 30 CEEDRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N(C)C)C1 ZINC000264149464 328157970 /nfs/dbraw/zinc/15/79/70/328157970.db2.gz YTHZPPGGTQFHJV-AWEZNQCLSA-N 2 0 288.439 2.295 20 30 CEEDRP C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000173906638 329153597 /nfs/dbraw/zinc/15/35/97/329153597.db2.gz KFORVRABSIWZRD-JKSUJKDBSA-N 2 0 295.471 2.073 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000174409145 329158917 /nfs/dbraw/zinc/15/89/17/329158917.db2.gz KSWYOZSOSULTRD-HNNXBMFYSA-N 2 0 293.455 2.407 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000261563083 329971068 /nfs/dbraw/zinc/97/10/68/329971068.db2.gz GVLISLBGNIXUCU-RBSFLKMASA-N 2 0 252.402 2.089 20 30 CEEDRP C[NH+]=C(NCC[NH+]1CCCC1)N1CCC2(C1)CCCCC2 ZINC000262438833 330012851 /nfs/dbraw/zinc/01/28/51/330012851.db2.gz HBCGMUCORJHSJO-UHFFFAOYSA-N 2 0 292.471 2.314 20 30 CEEDRP [NH2+]=C(NCC1CCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262809868 330033290 /nfs/dbraw/zinc/03/32/90/330033290.db2.gz NYTIVFCKSFGIIL-INIZCTEOSA-N 2 0 292.471 2.488 20 30 CEEDRP [NH2+]=C(NCc1ccc2c[nH+]cn2c1)NC1CCCCC1 ZINC000263161586 330050001 /nfs/dbraw/zinc/05/00/01/330050001.db2.gz QPOQSCBHRYAEJV-UHFFFAOYSA-N 2 0 271.368 2.071 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422976146 330162326 /nfs/dbraw/zinc/16/23/26/330162326.db2.gz HTNKMHVOMHPHHP-JKSUJKDBSA-N 2 0 265.445 2.277 20 30 CEEDRP C=CCCCC[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423050631 330167454 /nfs/dbraw/zinc/16/74/54/330167454.db2.gz LPGXMCYLCZXSGP-AWEZNQCLSA-N 2 0 282.428 2.254 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000121092964 330396177 /nfs/dbraw/zinc/39/61/77/330396177.db2.gz BJDRMAJRTVLULQ-SJORKVTESA-N 2 0 280.456 2.414 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449218919 330907001 /nfs/dbraw/zinc/90/70/01/330907001.db2.gz BDOFGUUGXSBMPR-HWOWSKLDSA-N 2 0 281.444 2.405 20 30 CEEDRP CC1CCN(C(=[NH2+])NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000303266294 333339486 /nfs/dbraw/zinc/33/94/86/333339486.db2.gz VPEIKWFDCABUDP-HZPDHXFCSA-N 2 0 294.487 2.401 20 30 CEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436232 625553793 /nfs/dbraw/zinc/55/37/93/625553793.db2.gz AJFARSRIEDJJTI-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001022340896 623979244 /nfs/dbraw/zinc/97/92/44/623979244.db2.gz MOADUOBJCWUXFA-OKILXGFUSA-N 2 0 298.390 2.069 20 30 CEEDRP C=C(C)CN1CCC([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000892880783 627827573 /nfs/dbraw/zinc/82/75/73/627827573.db2.gz JKAXXNTVDAXMGK-UHFFFAOYSA-N 2 0 266.429 2.310 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001020238861 627949007 /nfs/dbraw/zinc/94/90/07/627949007.db2.gz GDJDZSSHYDXGAB-JYJNAYRXSA-N 2 0 293.455 2.062 20 30 CEEDRP CCCCCCNC(=[NH2+])NCCC1CC[NH+](C)CC1 ZINC000303881847 629666788 /nfs/dbraw/zinc/66/67/88/629666788.db2.gz LDQZWXCFQKHCCV-UHFFFAOYSA-N 2 0 268.449 2.203 20 30 CEEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000895096190 629890983 /nfs/dbraw/zinc/89/09/83/629890983.db2.gz MXPGJZQQTRHLPS-JQHSSLGASA-N 2 0 292.467 2.393 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303253928 631079332 /nfs/dbraw/zinc/07/93/32/631079332.db2.gz DKXHVQRETFUKFW-KFWWJZLASA-N 2 0 282.476 2.447 20 30 CEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2cccc3nccn32)CC1 ZINC000985534916 631123587 /nfs/dbraw/zinc/12/35/87/631123587.db2.gz LKAWCXMWUPOZBO-UHFFFAOYSA-N 2 0 298.390 2.057 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986482380 631244412 /nfs/dbraw/zinc/24/44/12/631244412.db2.gz QDWAEEGVNNTDBB-BBRMVZONSA-N 2 0 298.390 2.103 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000817972408 633814726 /nfs/dbraw/zinc/81/47/26/633814726.db2.gz WVPCVIRIVSBQDH-YCPHGPKFSA-N 2 0 272.392 2.490 20 30 CEEDRP C[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000819101820 634068238 /nfs/dbraw/zinc/06/82/38/634068238.db2.gz FICAPBKALNGDFO-CJNGLKHVSA-N 2 0 289.423 2.158 20 30 CEEDRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC1CCC(C#N)CC1)C2 ZINC000903474901 635144078 /nfs/dbraw/zinc/14/40/78/635144078.db2.gz TUYSCXCKEOJNTF-STONLHKKSA-N 2 0 261.413 2.248 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000903476692 635146163 /nfs/dbraw/zinc/14/61/63/635146163.db2.gz GITXPHOKTHKROG-UKRRQHHQSA-N 2 0 257.381 2.202 20 30 CEEDRP C=CC[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767330 635259649 /nfs/dbraw/zinc/25/96/49/635259649.db2.gz VPZWROGKVDTRRW-OAGGEKHMSA-N 2 0 264.413 2.043 20 30 CEEDRP N#Cc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825009 635292048 /nfs/dbraw/zinc/29/20/48/635292048.db2.gz XAZAPLWWXCVIMI-WMZOPIPTSA-N 2 0 299.418 2.321 20 30 CEEDRP C=CC[C@@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933797 635359483 /nfs/dbraw/zinc/35/94/83/635359483.db2.gz VNOUTHNHCLNKGH-HZPDHXFCSA-N 2 0 290.455 2.134 20 30 CEEDRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000905602391 636336611 /nfs/dbraw/zinc/33/66/11/636336611.db2.gz UUXNGVGFWHPPGR-FHERZECASA-N 2 0 274.412 2.427 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC1CCC([NH3+])CC1 ZINC000911728664 638380033 /nfs/dbraw/zinc/38/00/33/638380033.db2.gz XPYPDXPZHQNPHA-YMAMQOFZSA-N 2 0 283.460 2.450 20 30 CEEDRP CSCCC[NH+]=C(NC[C@H](C)N(C)C)NC(C)(C)C ZINC000912508131 638713260 /nfs/dbraw/zinc/71/32/60/638713260.db2.gz HZFSLTIYRMLYQD-LBPRGKRZSA-N 2 0 288.505 2.023 20 30 CEEDRP C=C[C@@H](C)O[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000844621651 640786766 /nfs/dbraw/zinc/78/67/66/640786766.db2.gz KCADJYYPAKNKCR-CQSZACIVSA-N 2 0 273.380 2.363 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999403055 642486969 /nfs/dbraw/zinc/48/69/69/642486969.db2.gz ULBFKXUEDHZVIE-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000375292 642595999 /nfs/dbraw/zinc/59/59/99/642595999.db2.gz CCLLGJZYJRNOKW-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001002954593 642876493 /nfs/dbraw/zinc/87/64/93/642876493.db2.gz FGTSQAVWEVAMOR-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000922997137 643504713 /nfs/dbraw/zinc/50/47/13/643504713.db2.gz FLQNDOKNPJAQRK-UHFFFAOYSA-N 2 0 297.446 2.474 20 30 CEEDRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000877711302 650865717 /nfs/dbraw/zinc/86/57/17/650865717.db2.gz CXGVJJLFUNYXIH-UHFFFAOYSA-N 2 0 272.396 2.306 20 30 CEEDRP C#CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598353 644696727 /nfs/dbraw/zinc/69/67/27/644696727.db2.gz HTXNYRMSNYYPJQ-KRWDZBQOSA-N 2 0 287.407 2.008 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001271902966 806135748 /nfs/dbraw/zinc/13/57/48/806135748.db2.gz TZIWEOQJGFGHHE-CVEARBPZSA-N 2 0 295.471 2.025 20 30 CEEDRP CC(C)[NH+]1CC(Nc2ccc(/[NH+]=C/N(C)C)c(C#N)c2)C1 ZINC001168313787 806646639 /nfs/dbraw/zinc/64/66/39/806646639.db2.gz DNJIYDFJKUFJCH-WOJGMQOQSA-N 2 0 285.395 2.284 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267151969 803167535 /nfs/dbraw/zinc/16/75/35/803167535.db2.gz VYKWIALCSAZNCJ-HNNXBMFYSA-N 2 0 295.471 2.167 20 30 CEEDRP N#CCCOc1ccc(NC(=[NH2+])SCC[NH3+])cc1 ZINC001167911989 804693701 /nfs/dbraw/zinc/69/37/01/804693701.db2.gz IMHAATAJTXMKAF-UHFFFAOYSA-N 2 0 264.354 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001269182965 805072286 /nfs/dbraw/zinc/07/22/86/805072286.db2.gz RCUOTOFUVPRLBX-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001099200290 807660309 /nfs/dbraw/zinc/66/03/09/807660309.db2.gz ZAOZJOZQGQFYFR-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001171546576 815187973 /nfs/dbraw/zinc/18/79/73/815187973.db2.gz LIYDCMJKFUWVMW-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)Cn1cncc1C ZINC001171817106 815233043 /nfs/dbraw/zinc/23/30/43/815233043.db2.gz QNLQAAUBWZEQCY-CQSZACIVSA-N 2 0 292.427 2.032 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001034796185 809695994 /nfs/dbraw/zinc/69/59/94/809695994.db2.gz DYHDHTSJKACYSF-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH2+]C)cc1 ZINC001118057056 809819127 /nfs/dbraw/zinc/81/91/27/809819127.db2.gz AANIATZDNIHVOJ-KGLIPLIRSA-N 2 0 260.381 2.347 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CCC[NH+](C)C ZINC001172308469 815365612 /nfs/dbraw/zinc/36/56/12/815365612.db2.gz KPJVKRYQJOALSQ-CQSZACIVSA-N 2 0 259.397 2.373 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC001121974639 815373608 /nfs/dbraw/zinc/37/36/08/815373608.db2.gz LKISVZUVAOPRPG-CHWSQXEVSA-N 2 0 295.452 2.151 20 30 CEEDRP Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1C#N ZINC000701824451 810648516 /nfs/dbraw/zinc/64/85/16/810648516.db2.gz VGUSDIMQBVXIFZ-UHFFFAOYSA-N 2 0 257.381 2.298 20 30 CEEDRP CCOCC[C@@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001172424442 815417959 /nfs/dbraw/zinc/41/79/59/815417959.db2.gz SMMOLHUYOKNEJY-CYBMUJFWSA-N 2 0 277.412 2.468 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329541 811110993 /nfs/dbraw/zinc/11/09/93/811110993.db2.gz YFBQAHTYRUBZOA-HOTGVXAUSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109932927 811971901 /nfs/dbraw/zinc/97/19/01/811971901.db2.gz ZHGFJXLSALMCIW-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987710 812135255 /nfs/dbraw/zinc/13/52/55/812135255.db2.gz UHMCVMCYSCUQBM-HOTGVXAUSA-N 2 0 295.471 2.072 20 30 CEEDRP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152426 812791915 /nfs/dbraw/zinc/79/19/15/812791915.db2.gz CDIFYGCOLJQGMZ-HUUCEWRRSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@H]1C ZINC001132519070 812872791 /nfs/dbraw/zinc/87/27/91/812872791.db2.gz SEPKCGCKPLLEQH-HZPDHXFCSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001132736960 812935034 /nfs/dbraw/zinc/93/50/34/812935034.db2.gz GUWTZOCJGHFODJ-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP N#Cc1ccc(-c2ccc(N[C@@H]([NH3+])CCC[NH3+])cc2)o1 ZINC001170900799 813626285 /nfs/dbraw/zinc/62/62/85/813626285.db2.gz QALNCSFWKHWKCT-OAHLLOKOSA-N 2 0 270.336 2.254 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171174741 814054663 /nfs/dbraw/zinc/05/46/63/814054663.db2.gz OYCPFDQARXNUFZ-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614600 814300552 /nfs/dbraw/zinc/30/05/52/814300552.db2.gz YWYGJKAFJBOCOT-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001147359793 814428778 /nfs/dbraw/zinc/42/87/78/814428778.db2.gz VRBWPPYSNKVNCT-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]2C1 ZINC001142922505 816757423 /nfs/dbraw/zinc/75/74/23/816757423.db2.gz KLVWAPVWSYURBS-GASCZTMLSA-N 2 0 280.375 2.033 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC001179609736 816883863 /nfs/dbraw/zinc/88/38/63/816883863.db2.gz ZJFVRWRGQANILG-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C[NH+](C)CC1CC[NH+](CCOc2ccc(C#N)cc2)CC1 ZINC000042393592 362091544 /nfs/dbraw/zinc/09/15/44/362091544.db2.gz AKLWYFSZIGHDBD-UHFFFAOYSA-N 2 0 287.407 2.211 20 30 CEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)CC1 ZINC000602481131 347053485 /nfs/dbraw/zinc/05/34/85/347053485.db2.gz FICIDSXTRMFGJG-IRXDYDNUSA-N 2 0 292.471 2.027 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000592470971 345358637 /nfs/dbraw/zinc/35/86/37/345358637.db2.gz PXTAJIAXPDLWDW-NWANDNLSSA-N 2 0 273.355 2.175 20 30 CEEDRP C[C@H](CCC#N)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000602579161 347086456 /nfs/dbraw/zinc/08/64/56/347086456.db2.gz BEYHCUVCFWXQGX-CQSZACIVSA-N 2 0 287.411 2.185 20 30 CEEDRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594424390 345625096 /nfs/dbraw/zinc/62/50/96/345625096.db2.gz CNILPLSQDVSSQP-BXUZGUMPSA-N 2 0 274.368 2.056 20 30 CEEDRP CN1CCC[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768133 345871684 /nfs/dbraw/zinc/87/16/84/345871684.db2.gz GGWPLILSAATMMT-KRWDZBQOSA-N 2 0 299.418 2.248 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000595892153 345908027 /nfs/dbraw/zinc/90/80/27/345908027.db2.gz LDRRHYVUDLZOBY-KRWDZBQOSA-N 2 0 269.392 2.176 20 30 CEEDRP C[NH+](C)CCC[C@H]1CN(Cc2ccccc2C#N)CCO1 ZINC000595904876 345910619 /nfs/dbraw/zinc/91/06/19/345910619.db2.gz NLCATCAFOLGNHB-KRWDZBQOSA-N 2 0 287.407 2.101 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652367 346072306 /nfs/dbraw/zinc/07/23/06/346072306.db2.gz SSNLCDTXEZBFSP-CZUORRHYSA-N 2 0 257.381 2.078 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000598679737 346399774 /nfs/dbraw/zinc/39/97/74/346399774.db2.gz LYCCKNCCWACZCY-MSOLQXFVSA-N 2 0 299.418 2.277 20 30 CEEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000600707561 346674416 /nfs/dbraw/zinc/67/44/16/346674416.db2.gz IHJUCYVDWNGZNX-QGZVFWFLSA-N 2 0 299.418 2.423 20 30 CEEDRP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000600731739 346680224 /nfs/dbraw/zinc/68/02/24/346680224.db2.gz ZJBKMYKDVIBOFX-MRXNPFEDSA-N 2 0 291.439 2.038 20 30 CEEDRP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000602633172 347114469 /nfs/dbraw/zinc/11/44/69/347114469.db2.gz LMTBBOLIJCJCSY-LSDHHAIUSA-N 2 0 267.417 2.017 20 30 CEEDRP CSC1(C[NH2+]C[C@@H](C)CCC#N)CC[NH+](C)CC1 ZINC000602667591 347132177 /nfs/dbraw/zinc/13/21/77/347132177.db2.gz QCXDTVAZBIBUGI-ZDUSSCGKSA-N 2 0 269.458 2.343 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)[C@@H](C)C1 ZINC000610994682 347730248 /nfs/dbraw/zinc/73/02/48/347730248.db2.gz IWOZIIGPTAMQEG-BBRMVZONSA-N 2 0 272.396 2.115 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000618888503 349060739 /nfs/dbraw/zinc/06/07/39/349060739.db2.gz VHRUVULKXDOMAO-HUUCEWRRSA-N 2 0 279.428 2.017 20 30 CEEDRP C=CCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560532 351414779 /nfs/dbraw/zinc/41/47/79/351414779.db2.gz FOGJBVBLNYRCDX-GHMZBOCLSA-N 2 0 250.308 2.412 20 30 CEEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337190063 366064608 /nfs/dbraw/zinc/06/46/08/366064608.db2.gz RMKHGBBHAAFCBY-INIZCTEOSA-N 2 0 293.455 2.361 20 30 CEEDRP CCC[NH+]1CCC(N2CC[NH+](CCCCC#N)CC2)CC1 ZINC000112357962 364801614 /nfs/dbraw/zinc/80/16/14/364801614.db2.gz NBLGDZWIFOGRSL-UHFFFAOYSA-N 2 0 292.471 2.172 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000341265392 367256216 /nfs/dbraw/zinc/25/62/16/367256216.db2.gz AIBHSKPSHIWUCW-LSDHHAIUSA-N 2 0 268.445 2.412 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170911247 367446167 /nfs/dbraw/zinc/44/61/67/367446167.db2.gz YNNFOHHNWZXDJU-AWEZNQCLSA-N 2 0 288.439 2.437 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](CNCc2ccc(C#N)s2)C1 ZINC000176954115 368256240 /nfs/dbraw/zinc/25/62/40/368256240.db2.gz NBOCMLTVKBQBKI-LBPRGKRZSA-N 2 0 263.410 2.441 20 30 CEEDRP C=CCc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636916 368745308 /nfs/dbraw/zinc/74/53/08/368745308.db2.gz IFOPCEMGQOEHHA-DOMZBBRYSA-N 2 0 290.407 2.298 20 30 CEEDRP C=CCOCCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000348061328 368880443 /nfs/dbraw/zinc/88/04/43/368880443.db2.gz YIKDTBQJDRIUBK-HNNXBMFYSA-N 2 0 254.418 2.385 20 30 CEEDRP C=CCC[C@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008426 369045364 /nfs/dbraw/zinc/04/53/64/369045364.db2.gz JRNUODKTTDNZEK-ZDUSSCGKSA-N 2 0 260.385 2.258 20 30 CEEDRP CC[NH2+]CC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000233503876 370520735 /nfs/dbraw/zinc/52/07/35/370520735.db2.gz FHDJELWJIKBHRS-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000264113463 371972619 /nfs/dbraw/zinc/97/26/19/371972619.db2.gz RRSYHAAWJQDJKN-ZDUSSCGKSA-N 2 0 292.452 2.050 20 30 CEEDRP C[N@@H+](Cc1ccc(C#N)c(F)c1)CC1CC[NH+](C)CC1 ZINC000361838496 372092074 /nfs/dbraw/zinc/09/20/74/372092074.db2.gz BNQCUBMREGRCSR-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367204956 373141134 /nfs/dbraw/zinc/14/11/34/373141134.db2.gz FTDXCODLICDYCF-NIOBXDJOSA-N 2 0 264.413 2.182 20 30 CEEDRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1C#N ZINC000414766133 375956523 /nfs/dbraw/zinc/95/65/23/375956523.db2.gz RAVMRQLQPCQBMS-UHFFFAOYSA-N 2 0 285.391 2.142 20 30 CEEDRP C[N@@H+]1CC[C@@H]2CCN(Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398319 380355227 /nfs/dbraw/zinc/35/52/27/380355227.db2.gz LXWFDCNRVOPZSD-OCCSQVGLSA-N 2 0 261.394 2.146 20 30 CEEDRP [NH2+]=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)NC1CC1 ZINC000261904914 394609289 /nfs/dbraw/zinc/60/92/89/394609289.db2.gz WUFGKDUWTLKJSQ-GFCCVEGCSA-N 2 0 292.452 2.027 20 30 CEEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423406763 394915442 /nfs/dbraw/zinc/91/54/42/394915442.db2.gz UYGPSMQJGODLGS-XFBWCDHKSA-N 2 0 255.365 2.133 20 30 CEEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000423406661 394916076 /nfs/dbraw/zinc/91/60/76/394916076.db2.gz UYGPSMQJGODLGS-LYRGGWFBSA-N 2 0 255.365 2.133 20 30 CEEDRP C#Cc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000289494032 395078523 /nfs/dbraw/zinc/07/85/23/395078523.db2.gz RZYLACLEMWVHKE-UHFFFAOYSA-N 2 0 299.462 2.126 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411309191 395326416 /nfs/dbraw/zinc/32/64/16/395326416.db2.gz QRXVVKPQCNQYLY-HUUCEWRRSA-N 2 0 267.417 2.111 20 30 CEEDRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442709866 395392373 /nfs/dbraw/zinc/39/23/73/395392373.db2.gz OUHHVGTURNWVNB-HOCLYGCPSA-N 2 0 287.407 2.409 20 30 CEEDRP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1C#N ZINC000443971891 395407975 /nfs/dbraw/zinc/40/79/75/395407975.db2.gz WOXOKRXZOQDUGM-OAHLLOKOSA-N 2 0 269.392 2.441 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000648763460 395977905 /nfs/dbraw/zinc/97/79/05/395977905.db2.gz WNLBLQXSAUVJSX-SJORKVTESA-N 2 0 298.390 2.399 20 30 CEEDRP C=CC[C@]1(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662668533 415926565 /nfs/dbraw/zinc/92/65/65/415926565.db2.gz OJJIYZJRMXDSAA-DOTOQJQBSA-N 2 0 293.455 2.065 20 30 CEEDRP C[NH+]=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC1CC1 ZINC000264079523 262866039 /nfs/dbraw/zinc/86/60/39/262866039.db2.gz UIPIGXWANKWHAH-MRXNPFEDSA-N 2 0 286.423 2.151 20 30 CEEDRP C=CCc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc(OC)c1O ZINC000414826677 263055579 /nfs/dbraw/zinc/05/55/79/263055579.db2.gz GAENNUPBCPLDGW-CYBMUJFWSA-N 2 0 290.407 2.219 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414831047 263056307 /nfs/dbraw/zinc/05/63/07/263056307.db2.gz PGZYWPUESAUYQL-HNNXBMFYSA-N 2 0 290.407 2.349 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000414910726 263117295 /nfs/dbraw/zinc/11/72/95/263117295.db2.gz GAWJHUBZDJHSNE-OAHLLOKOSA-N 2 0 260.381 2.483 20 30 CEEDRP C=CCOc1ccc(CNC[C@@H](C)[NH2+]CC)cc1OC ZINC000414951113 263158615 /nfs/dbraw/zinc/15/86/15/263158615.db2.gz GYFGXXQBIRXKIM-CYBMUJFWSA-N 2 0 278.396 2.348 20 30 CEEDRP CSC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC[NH+](C)CC1 ZINC000353652571 263308207 /nfs/dbraw/zinc/30/82/07/263308207.db2.gz AYMTXITZHVIDBT-QWHCGFSZSA-N 2 0 267.442 2.096 20 30 CEEDRP C=CCOc1cccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101846 266248499 /nfs/dbraw/zinc/24/84/99/266248499.db2.gz FEDSSVMVZOPTPX-CVEARBPZSA-N 2 0 272.392 2.293 20 30 CEEDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000397386749 267075425 /nfs/dbraw/zinc/07/54/25/267075425.db2.gz MFLXBQCLICQERJ-XJKCOSOUSA-N 2 0 257.381 2.363 20 30 CEEDRP C#CCC[NH+]1CCCC2(CCC[N@@H+](CCC#C)C2)C1 ZINC000368246796 267155672 /nfs/dbraw/zinc/15/56/72/267155672.db2.gz YCSJTYIPQHUTBI-UHFFFAOYSA-N 2 0 258.409 2.211 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCC#N ZINC000370644248 267333497 /nfs/dbraw/zinc/33/34/97/267333497.db2.gz FKGIOUKJYLVZFX-BZUAXINKSA-N 2 0 279.428 2.159 20 30 CEEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccn2)c1 ZINC000170905085 327749175 /nfs/dbraw/zinc/74/91/75/327749175.db2.gz JQNMWFLBUSKGJS-UHFFFAOYSA-N 2 0 283.379 2.070 20 30 CEEDRP CCC[NH+]1CCC(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000583139278 329325824 /nfs/dbraw/zinc/32/58/24/329325824.db2.gz YVDZWXAGTMYNDY-HNNXBMFYSA-N 2 0 262.401 2.142 20 30 CEEDRP CC[NH+]=C(NCC[N@@H+]1CCCC[C@H]1C)NC(C)(C)C ZINC000263236871 330050097 /nfs/dbraw/zinc/05/00/97/330050097.db2.gz JYLCYYOOGSXYCC-CYBMUJFWSA-N 2 0 268.449 2.214 20 30 CEEDRP C[NH+]=C(NCCNc1cc[nH+]cc1)N1CCc2ccccc21 ZINC000263266130 330051100 /nfs/dbraw/zinc/05/11/00/330051100.db2.gz VGYORGBPMVVYNG-UHFFFAOYSA-N 2 0 295.390 2.132 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])C(C)C ZINC000422827684 330156602 /nfs/dbraw/zinc/15/66/02/330156602.db2.gz FAWXOZPRSLGXSB-ARFHVFGLSA-N 2 0 265.445 2.154 20 30 CEEDRP C=CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CC1 ZINC000423407163 330197000 /nfs/dbraw/zinc/19/70/00/330197000.db2.gz LSKXDQCKKCWAET-HNNXBMFYSA-N 2 0 266.429 2.337 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000173160616 332965248 /nfs/dbraw/zinc/96/52/48/332965248.db2.gz DHPXTEYRFWGGJF-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186602637 333163522 /nfs/dbraw/zinc/16/35/22/333163522.db2.gz DDDKZBNMXKGFTI-JKSUJKDBSA-N 2 0 267.461 2.347 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCSCC#N)[C@@H](C)C1 ZINC000247338363 334279312 /nfs/dbraw/zinc/27/93/12/334279312.db2.gz ZOZTXVMGDPRNDJ-KBPBESRZSA-N 2 0 269.458 2.295 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249171669 334329290 /nfs/dbraw/zinc/32/92/90/334329290.db2.gz BRJXEOMTRCWHOL-LSDHHAIUSA-N 2 0 254.418 2.289 20 30 CEEDRP C[C@H]1C[N@H+](Cc2ccccc2)CCC1=[NH+]n1cnnc1 ZINC000734361238 574710816 /nfs/dbraw/zinc/71/08/16/574710816.db2.gz AFCZFHLIGXGCEJ-ZDUSSCGKSA-N 2 0 269.352 2.024 20 30 CEEDRP C[N@@H+](Cc1csc(C#N)c1)CC1CC[NH+](C)CC1 ZINC000891934844 624116564 /nfs/dbraw/zinc/11/65/64/624116564.db2.gz WXXQNYZFLXYJHQ-UHFFFAOYSA-N 2 0 263.410 2.393 20 30 CEEDRP CC[C@@]1(C)CCN(C(NCC[NH2+]C(C)(C)C)=[NH+]C)C1 ZINC000261859510 629285315 /nfs/dbraw/zinc/28/53/15/629285315.db2.gz ZCJQVXOSKLTKGZ-HNNXBMFYSA-N 2 0 268.449 2.072 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCCCCC[NH+]1CCCCC1 ZINC000304066363 631098555 /nfs/dbraw/zinc/09/85/55/631098555.db2.gz TZYBHKUALQVDFH-AWEZNQCLSA-N 2 0 268.449 2.345 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917396 633775476 /nfs/dbraw/zinc/77/54/76/633775476.db2.gz FMYUHGQHVXYZKE-CJNGLKHVSA-N 2 0 273.380 2.067 20 30 CEEDRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817920049 633777682 /nfs/dbraw/zinc/77/76/82/633777682.db2.gz ZNMGPIBJPDEDHQ-ZFWWWQNUSA-N 2 0 273.380 2.382 20 30 CEEDRP C=CCCCCC[C@@H](C)[NH2+]CCN1CC[NH2+]CC1 ZINC000817945315 633792127 /nfs/dbraw/zinc/79/21/27/633792127.db2.gz ZIJIVLVRSFJFJL-OAHLLOKOSA-N 2 0 253.434 2.006 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000817967037 633809594 /nfs/dbraw/zinc/80/95/94/633809594.db2.gz CYLQPAMNQQEWMP-CQSZACIVSA-N 2 0 270.376 2.269 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817981574 633824469 /nfs/dbraw/zinc/82/44/69/633824469.db2.gz LHIJLWKEZCRGJF-KCQAQPDRSA-N 2 0 273.380 2.367 20 30 CEEDRP C[C@H](C#N)OCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937817 634887583 /nfs/dbraw/zinc/88/75/83/634887583.db2.gz AKGKKTHSYQBTAO-RBSFLKMASA-N 2 0 279.428 2.158 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000903461077 635125972 /nfs/dbraw/zinc/12/59/72/635125972.db2.gz OLMTWPWOQFICQP-HIFRSBDPSA-N 2 0 257.381 2.487 20 30 CEEDRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903482478 635150609 /nfs/dbraw/zinc/15/06/09/635150609.db2.gz IZFLNEISMOHEEW-OLZOCXBDSA-N 2 0 263.772 2.427 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903791086 635261821 /nfs/dbraw/zinc/26/18/21/635261821.db2.gz LWWYSBXZKBBIBE-AWEZNQCLSA-N 2 0 254.418 2.010 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1OC ZINC000903941263 635374484 /nfs/dbraw/zinc/37/44/84/635374484.db2.gz VEMVUTFZOKMKOD-UHFFFAOYSA-N 2 0 278.396 2.477 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000876743245 650415883 /nfs/dbraw/zinc/41/58/83/650415883.db2.gz ACRFJNRMWCBUGJ-AWEZNQCLSA-N 2 0 295.814 2.199 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911708865 638385642 /nfs/dbraw/zinc/38/56/42/638385642.db2.gz YSZQQTIJCNECGB-GJZGRUSLSA-N 2 0 283.460 2.180 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000876914201 650483357 /nfs/dbraw/zinc/48/33/57/650483357.db2.gz CAVDZMGKMINILA-UONOGXRCSA-N 2 0 295.814 2.053 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000231930710 639885706 /nfs/dbraw/zinc/88/57/06/639885706.db2.gz KDORVWFEDHHYRK-MCIONIFRSA-N 2 0 254.443 2.416 20 30 CEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993542339 640654216 /nfs/dbraw/zinc/65/42/16/640654216.db2.gz ZKYYDWUZBIZMIQ-BBRMVZONSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000846368933 641283937 /nfs/dbraw/zinc/28/39/37/641283937.db2.gz KMGNUBSJCJLQLM-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP C#CCCCCCC[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000877404557 650708410 /nfs/dbraw/zinc/70/84/10/650708410.db2.gz DYISCEIAEZOVPY-KRWDZBQOSA-N 2 0 279.472 2.186 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996687034 642127149 /nfs/dbraw/zinc/12/71/49/642127149.db2.gz FGBGZCHFHIHJAV-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@@H]1CC[N@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849004146 642221106 /nfs/dbraw/zinc/22/11/06/642221106.db2.gz BUVSVQDPVMOPNI-OAHLLOKOSA-N 2 0 288.439 2.036 20 30 CEEDRP Cc1cc(C#N)cc(C)c1CNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000921689863 642533738 /nfs/dbraw/zinc/53/37/38/642533738.db2.gz IBKAXNOFLRDNJT-IAGOWNOFSA-N 2 0 299.418 2.128 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001001010827 642675934 /nfs/dbraw/zinc/67/59/34/642675934.db2.gz XJHVMKJMXHQAMT-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000878287764 651054075 /nfs/dbraw/zinc/05/40/75/651054075.db2.gz IOCQDGMVDLMRCO-YESZJQIVSA-N 2 0 278.440 2.364 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCCC#N)cc2)CC1 ZINC000771833181 646557798 /nfs/dbraw/zinc/55/77/98/646557798.db2.gz UHZFDYUJMMAGCU-UHFFFAOYSA-N 2 0 286.423 2.222 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000873217422 649593835 /nfs/dbraw/zinc/59/38/35/649593835.db2.gz MCKFSWWJCSOWSI-INIZCTEOSA-N 2 0 298.434 2.259 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000873239145 649605263 /nfs/dbraw/zinc/60/52/63/649605263.db2.gz OSXOEZMLHWNXCK-WMLDXEAASA-N 2 0 298.434 2.244 20 30 CEEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239137 649605642 /nfs/dbraw/zinc/60/56/42/649605642.db2.gz OPFPXELMAZIEAI-KGLIPLIRSA-N 2 0 286.423 2.242 20 30 CEEDRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873274961 649620985 /nfs/dbraw/zinc/62/09/85/649620985.db2.gz IAYQGIXSEGIXRD-MLGOLLRUSA-N 2 0 257.381 2.133 20 30 CEEDRP C#CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878324330 651067702 /nfs/dbraw/zinc/06/77/02/651067702.db2.gz LDFFICHYIFAENZ-ROUUACIJSA-N 2 0 291.483 2.138 20 30 CEEDRP C=CCC[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000883180620 652391289 /nfs/dbraw/zinc/39/12/89/652391289.db2.gz GVWIXMWCKHCSGP-GJZGRUSLSA-N 2 0 254.418 2.432 20 30 CEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001271901584 806135310 /nfs/dbraw/zinc/13/53/10/806135310.db2.gz OLQMONJZHHAIEH-HNNXBMFYSA-N 2 0 297.487 2.271 20 30 CEEDRP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282435023 802423628 /nfs/dbraw/zinc/42/36/28/802423628.db2.gz VQQZYLNAPOQSBT-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccccc2C#N)CC1 ZINC001210739832 802727392 /nfs/dbraw/zinc/72/73/92/802727392.db2.gz URYYYQFHALGGHJ-UHFFFAOYSA-N 2 0 293.374 2.449 20 30 CEEDRP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758266 802883198 /nfs/dbraw/zinc/88/31/98/802883198.db2.gz PQCVPWWXAIQAGO-MRXNPFEDSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266807408 802911794 /nfs/dbraw/zinc/91/17/94/802911794.db2.gz KMBAETFXQKITDB-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1C#N ZINC000723899519 802966354 /nfs/dbraw/zinc/96/63/54/802966354.db2.gz CNGPFPUWKWIRHT-UKRRQHHQSA-N 2 0 257.381 2.283 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133965650 813185242 /nfs/dbraw/zinc/18/52/42/813185242.db2.gz CXNGVNQTPDYIKK-AWEZNQCLSA-N 2 0 271.449 2.003 20 30 CEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639563 803228267 /nfs/dbraw/zinc/22/82/67/803228267.db2.gz BTFMTHICZUCRFJ-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267805889 803745194 /nfs/dbraw/zinc/74/51/94/803745194.db2.gz SRVFESOQXWHQPN-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC001268034876 804162185 /nfs/dbraw/zinc/16/21/85/804162185.db2.gz QTCMLEFFIIKNGJ-HNNXBMFYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001268223402 804553735 /nfs/dbraw/zinc/55/37/35/804553735.db2.gz UXWLWLDWCDUAIY-MRXNPFEDSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268396000 804650280 /nfs/dbraw/zinc/65/02/80/804650280.db2.gz GLTNHRWKXIDHKY-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001268748095 804957456 /nfs/dbraw/zinc/95/74/56/804957456.db2.gz DJUAYIGYFINBBQ-CVEARBPZSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001269129536 805058305 /nfs/dbraw/zinc/05/83/05/805058305.db2.gz MWVSBXKVYPIBHM-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001088857731 807219339 /nfs/dbraw/zinc/21/93/39/807219339.db2.gz BSQNMYYKUVDGGW-XHSDSOJGSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCCCCC[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001205209335 808552241 /nfs/dbraw/zinc/55/22/41/808552241.db2.gz ITQFSWXAKPNSKP-HNNXBMFYSA-N 2 0 254.418 2.299 20 30 CEEDRP C=CCCC[NH2+]CC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001272888526 808840632 /nfs/dbraw/zinc/84/06/32/808840632.db2.gz BFGZYSJFCFXPKP-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273199 809255695 /nfs/dbraw/zinc/25/56/95/809255695.db2.gz RTTJMUNBODKKNG-MRXNPFEDSA-N 2 0 298.390 2.057 20 30 CEEDRP CCOCC[C@H](C)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001172424446 815417890 /nfs/dbraw/zinc/41/78/90/815417890.db2.gz SMMOLHUYOKNEJY-ZDUSSCGKSA-N 2 0 277.412 2.468 20 30 CEEDRP C=CC(N[C@@H]1CC(C)(C)C[C@](C)(C[NH3+])C1)=[NH+]COC ZINC001169141114 811408621 /nfs/dbraw/zinc/40/86/21/811408621.db2.gz IXOUFVJNHOTPQC-IUODEOHRSA-N 2 0 267.417 2.308 20 30 CEEDRP C[C@H](CCCC#N)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488599 815451018 /nfs/dbraw/zinc/45/10/18/815451018.db2.gz VASDYIGCRIQLEL-MGPQQGTHSA-N 2 0 265.401 2.039 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630713 811516833 /nfs/dbraw/zinc/51/68/33/811516833.db2.gz YHFALZOKJZGSCC-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809114 811675215 /nfs/dbraw/zinc/67/52/15/811675215.db2.gz FHECLTBYHATUET-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001113071059 812158624 /nfs/dbraw/zinc/15/86/24/812158624.db2.gz CNVCWAHZGNSOFE-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248826 812809803 /nfs/dbraw/zinc/80/98/03/812809803.db2.gz JHSPHEADZBRJFU-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP CN1CC[C@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C1 ZINC001255413109 813087196 /nfs/dbraw/zinc/08/71/96/813087196.db2.gz TZHZHCXEXFOEFB-NSHDSACASA-N 2 0 271.286 2.115 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135376113 813418346 /nfs/dbraw/zinc/41/83/46/813418346.db2.gz QZBPOTIYFRKIIC-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475472 813442650 /nfs/dbraw/zinc/44/26/50/813442650.db2.gz AVZICTCMEZYCTM-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071738092 813473727 /nfs/dbraw/zinc/47/37/27/813473727.db2.gz AEPQKQVFZRBFMT-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@@H]1C ZINC001072080912 813540508 /nfs/dbraw/zinc/54/05/08/813540508.db2.gz DIUPFCVSKQRMEW-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C[Si](C)(C)C#Cc1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170900850 813626072 /nfs/dbraw/zinc/62/60/72/813626072.db2.gz QRJWLJBEYDNASC-OAHLLOKOSA-N 2 0 275.472 2.351 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170907115 813632645 /nfs/dbraw/zinc/63/26/45/813632645.db2.gz ZRUDWKFNIKDCCH-DLBZAZTESA-N 3 0 288.439 2.445 20 30 CEEDRP CC=C(NC=[NH2+])NC(=[NH2+])c1ccc2cc(O)ccc2c1 ZINC001171177414 814057643 /nfs/dbraw/zinc/05/76/43/814057643.db2.gz UAJRWMNWUUUMDK-JLZUIIAYSA-N 2 0 268.320 2.309 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001171181085 814067772 /nfs/dbraw/zinc/06/77/72/814067772.db2.gz HBDKNSPARFPHGY-PBHICJAKSA-N 2 0 271.408 2.421 20 30 CEEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]2C1 ZINC001171232614 814203167 /nfs/dbraw/zinc/20/31/67/814203167.db2.gz UNMZZAYNEXIDBA-JCGIZDLHSA-N 2 0 283.419 2.373 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001147360019 814428503 /nfs/dbraw/zinc/42/85/03/814428503.db2.gz ZJQYBKGNKSWXNG-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C/C(N[C@H]1CCO[C@@H](C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001173171072 815622204 /nfs/dbraw/zinc/62/22/04/815622204.db2.gz CZUITSMZCDAHJP-LRDDRELGSA-N 2 0 275.396 2.221 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107396 816132085 /nfs/dbraw/zinc/13/20/85/816132085.db2.gz NUBHZTMGZAOWPR-LSDHHAIUSA-N 2 0 283.460 2.023 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001175255810 816162977 /nfs/dbraw/zinc/16/29/77/816162977.db2.gz HIGGFUCUWCIQDF-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698331 816786386 /nfs/dbraw/zinc/78/63/86/816786386.db2.gz DDERQWKYMZTZKV-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178826990 816799160 /nfs/dbraw/zinc/79/91/60/816799160.db2.gz CAQBVQPZMPINGN-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179587365 816880755 /nfs/dbraw/zinc/88/07/55/816880755.db2.gz ZTWSRTDGTITFLW-INIZCTEOSA-N 2 0 295.471 2.171 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580924 816885289 /nfs/dbraw/zinc/88/52/89/816885289.db2.gz WJQBLYOHERUOKZ-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052670 344074609 /nfs/dbraw/zinc/07/46/09/344074609.db2.gz GSUPFBKCYMRKIR-OAHLLOKOSA-N 2 0 288.439 2.377 20 30 CEEDRP C[C@H](CCC#N)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000602455567 347040458 /nfs/dbraw/zinc/04/04/58/347040458.db2.gz RKXRRBFAWMDOAT-MRXNPFEDSA-N 2 0 293.455 2.361 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602480745 347052955 /nfs/dbraw/zinc/05/29/55/347052955.db2.gz XUEMZXLIYPKUMI-JKSUJKDBSA-N 2 0 281.444 2.359 20 30 CEEDRP CC1CC[NH+](CCCCNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170903729 344492237 /nfs/dbraw/zinc/49/22/37/344492237.db2.gz DNLOKDHWITVRII-UHFFFAOYSA-N 2 0 289.427 2.320 20 30 CEEDRP Cc1cc(C#N)ccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000312736627 344739661 /nfs/dbraw/zinc/73/96/61/344739661.db2.gz UJOAWKNNUFGRKV-QGZVFWFLSA-N 2 0 269.392 2.394 20 30 CEEDRP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)CCC#N)CC2)CC1 ZINC000593020069 345424268 /nfs/dbraw/zinc/42/42/68/345424268.db2.gz IKUNBRXVKDDBSZ-MRXNPFEDSA-N 2 0 292.471 2.169 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCC1(C[NH3+])CC1)CC2 ZINC000593318759 345466018 /nfs/dbraw/zinc/46/60/18/345466018.db2.gz HCVCYGVGXOIHFA-OAHLLOKOSA-N 2 0 255.365 2.264 20 30 CEEDRP C[C@@H]1C[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324142 345466573 /nfs/dbraw/zinc/46/65/73/345466573.db2.gz YNLRBQSKIRYVJG-CHWSQXEVSA-N 2 0 255.365 2.262 20 30 CEEDRP C[C@@]1(C#N)CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000595905225 345910660 /nfs/dbraw/zinc/91/06/60/345910660.db2.gz QUZGKNAZCQZBMT-INIZCTEOSA-N 2 0 255.365 2.068 20 30 CEEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000598680514 346400290 /nfs/dbraw/zinc/40/02/90/346400290.db2.gz ZHZDXJMTJFQJRD-DOTOQJQBSA-N 2 0 269.392 2.380 20 30 CEEDRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598713811 346406067 /nfs/dbraw/zinc/40/60/67/346406067.db2.gz DHSZDNPIKJLUTP-MRXNPFEDSA-N 2 0 295.471 2.389 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000600768306 346686668 /nfs/dbraw/zinc/68/66/68/346686668.db2.gz HMIWTWKHCKLLQR-DOMZBBRYSA-N 2 0 259.353 2.115 20 30 CEEDRP N#Cc1cccc(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000602676518 347137845 /nfs/dbraw/zinc/13/78/45/347137845.db2.gz NYGVQPGCQSPGDY-UHFFFAOYSA-N 2 0 272.396 2.309 20 30 CEEDRP C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657898 347127361 /nfs/dbraw/zinc/12/73/61/347127361.db2.gz TZPUHUYHRVYZCC-RDJZCZTQSA-N 2 0 292.471 2.027 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCC[C@H]2C#N)CC1 ZINC000602981016 347263960 /nfs/dbraw/zinc/26/39/60/347263960.db2.gz YQSRXFBGXJMZOE-DLBZAZTESA-N 2 0 292.471 2.027 20 30 CEEDRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ccnc(C#N)c1 ZINC000610994038 347729344 /nfs/dbraw/zinc/72/93/44/347729344.db2.gz RUZDDVQCYUXILI-MRXNPFEDSA-N 2 0 272.396 2.259 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000404815787 233194493 /nfs/dbraw/zinc/19/44/93/233194493.db2.gz BEBYTCRWHNOTDE-DZGCQCFKSA-N 2 0 261.344 2.304 20 30 CEEDRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156391053 188259133 /nfs/dbraw/zinc/25/91/33/188259133.db2.gz NZHYPXCEEFLYBR-MRXNPFEDSA-N 2 0 287.407 2.211 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666853979 540023944 /nfs/dbraw/zinc/02/39/44/540023944.db2.gz YVMOJFVXLJDZGT-OAHLLOKOSA-N 2 0 260.381 2.483 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000335506352 283196919 /nfs/dbraw/zinc/19/69/19/283196919.db2.gz YRJJCOLMPMLVPN-INIZCTEOSA-N 2 0 253.349 2.055 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000334672865 364162315 /nfs/dbraw/zinc/16/23/15/364162315.db2.gz YIIYGNVOYDZWJE-XHDPSFHLSA-N 2 0 261.344 2.127 20 30 CEEDRP CC#CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000157979978 366850794 /nfs/dbraw/zinc/85/07/94/366850794.db2.gz XHEDACYYIWUBTH-UHFFFAOYSA-N 2 0 278.440 2.224 20 30 CEEDRP C[N@H+](CCOc1ccccc1C#N)C[C@H]1CCC[NH+](C)C1 ZINC000118842480 365182968 /nfs/dbraw/zinc/18/29/68/365182968.db2.gz RCFBPXSIKPKOQI-HNNXBMFYSA-N 2 0 287.407 2.211 20 30 CEEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170910368 367447506 /nfs/dbraw/zinc/44/75/06/367447506.db2.gz TUOGSMGWNUJSAH-ZDUSSCGKSA-N 2 0 289.427 2.319 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186702401 369023915 /nfs/dbraw/zinc/02/39/15/369023915.db2.gz GNJMIIJEXUQCTL-GOEBONIOSA-N 2 0 292.423 2.215 20 30 CEEDRP C#CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248390216 371184423 /nfs/dbraw/zinc/18/44/23/371184423.db2.gz BSLLDFFILZPGRY-QLPKVWCKSA-N 2 0 256.393 2.366 20 30 CEEDRP C=CC[C@@H](CC)[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000644638948 373577361 /nfs/dbraw/zinc/57/73/61/373577361.db2.gz LNFUDHNACXQQGM-SJORKVTESA-N 2 0 276.424 2.424 20 30 CEEDRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)CCC#N)CC2)CC1 ZINC000420972033 376751000 /nfs/dbraw/zinc/75/10/00/376751000.db2.gz AKSOLWOMAPGWHU-INIZCTEOSA-N 2 0 292.471 2.171 20 30 CEEDRP C[C@H](CCCC[NH3+])[NH2+]CCOc1ccc(C#N)cc1 ZINC000422985925 376905089 /nfs/dbraw/zinc/90/50/89/376905089.db2.gz BCKZMNCOCBZMJQ-CYBMUJFWSA-N 2 0 261.369 2.044 20 30 CEEDRP O=C(N[C@@H]1CCn2ccnc2C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000330260414 377079113 /nfs/dbraw/zinc/07/91/13/377079113.db2.gz SPCQVEQXMCVHAG-HIFRSBDPSA-N 2 0 288.395 2.029 20 30 CEEDRP COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000292983135 377380776 /nfs/dbraw/zinc/38/07/76/377380776.db2.gz NHCCEGJJIGEHLA-GOSISDBHSA-N 2 0 299.418 2.485 20 30 CEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC)CC1 ZINC000436313479 377824616 /nfs/dbraw/zinc/82/46/16/377824616.db2.gz WLNCDQRNFHYBGE-DZGCQCFKSA-N 2 0 252.402 2.042 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000446762569 378086439 /nfs/dbraw/zinc/08/64/39/378086439.db2.gz UTQGMRWIOIFXJA-LSDHHAIUSA-N 2 0 267.417 2.017 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000449122391 378197681 /nfs/dbraw/zinc/19/76/81/378197681.db2.gz LGWUZGKUWSTLJK-HZPDHXFCSA-N 2 0 267.461 2.347 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000554586589 380786050 /nfs/dbraw/zinc/78/60/50/380786050.db2.gz LXVNDQRZLNZKHE-UHFFFAOYSA-N 2 0 297.406 2.027 20 30 CEEDRP Cn1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C#N ZINC000191266972 130211141 /nfs/dbraw/zinc/21/11/41/130211141.db2.gz UXLQWAKONYVGCJ-UHFFFAOYSA-N 2 0 274.412 2.060 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267414255 394678596 /nfs/dbraw/zinc/67/85/96/394678596.db2.gz IVWVWHOQGCWBON-LLVKDONJSA-N 2 0 280.391 2.090 20 30 CEEDRP CN(C)C(=[NH+]C[C@H](c1ccccc1)[NH+]1CCCC1)N(C)C ZINC000104155641 394718859 /nfs/dbraw/zinc/71/88/59/394718859.db2.gz ADCIOPXKXPGMLN-MRXNPFEDSA-N 2 0 288.439 2.303 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)C1 ZINC000362236449 394849648 /nfs/dbraw/zinc/84/96/48/394849648.db2.gz FQWXFVMUZRJOGV-HMDCTGQHSA-N 2 0 291.439 2.158 20 30 CEEDRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])ccc1C#N ZINC000415013824 394849771 /nfs/dbraw/zinc/84/97/71/394849771.db2.gz LEFVKMWCKTZSPM-LBPRGKRZSA-N 2 0 261.369 2.174 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000289895317 395089964 /nfs/dbraw/zinc/08/99/64/395089964.db2.gz SUXIASWCZQZOFT-BSDSXHPESA-N 2 0 286.419 2.034 20 30 CEEDRP C=CCCn1cc(CNCCC[N@H+]2CCCC[C@H]2C)nn1 ZINC000657293489 414835517 /nfs/dbraw/zinc/83/55/17/414835517.db2.gz OIHFTWBBMIGWEJ-OAHLLOKOSA-N 2 0 291.443 2.208 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000661116738 415103897 /nfs/dbraw/zinc/10/38/97/415103897.db2.gz ZRFNGPNJVLDCKP-OAGGEKHMSA-N 2 0 268.445 2.412 20 30 CEEDRP C=CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000661756339 415445123 /nfs/dbraw/zinc/44/51/23/415445123.db2.gz KRTKZVGCGXXIOS-UHFFFAOYSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665238360 415641219 /nfs/dbraw/zinc/64/12/19/415641219.db2.gz WVZQHPODGPWIOS-HOCLYGCPSA-N 2 0 258.365 2.408 20 30 CEEDRP C=CC[N@@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249285 415709133 /nfs/dbraw/zinc/70/91/33/415709133.db2.gz SEILOUWWZRURKU-CYBMUJFWSA-N 2 0 278.421 2.257 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414825555 263055767 /nfs/dbraw/zinc/05/57/67/263055767.db2.gz COLCZHZLPACBIB-AWEZNQCLSA-N 2 0 290.407 2.349 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000414829281 263056165 /nfs/dbraw/zinc/05/61/65/263056165.db2.gz KOJPDBJDZJXCSK-OAHLLOKOSA-N 2 0 260.381 2.341 20 30 CEEDRP C[C@H](CNC(=[NH2+])Nc1cccc2c1CCCC2)C[NH+](C)C ZINC000291919304 263126676 /nfs/dbraw/zinc/12/66/76/263126676.db2.gz NDORPAQFYWRJDM-CYBMUJFWSA-N 2 0 288.439 2.490 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531867917 328052638 /nfs/dbraw/zinc/05/26/38/328052638.db2.gz XRRIRVPCVXDJBG-INIZCTEOSA-N 2 0 268.445 2.366 20 30 CEEDRP C=CCC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000378255290 329044267 /nfs/dbraw/zinc/04/42/67/329044267.db2.gz WCLJDMQPZIZRFT-WMZOPIPTSA-N 2 0 291.483 2.489 20 30 CEEDRP C=C(C)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171305001 329073709 /nfs/dbraw/zinc/07/37/09/329073709.db2.gz XMTJTSLSJACSBM-GJZGRUSLSA-N 2 0 266.429 2.384 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185887212 329334518 /nfs/dbraw/zinc/33/45/18/329334518.db2.gz BZJGYNBOFNTLSD-ZNMIVQPWSA-N 2 0 267.417 2.015 20 30 CEEDRP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCCCC3)CCCCC2)N1 ZINC000262686187 330027142 /nfs/dbraw/zinc/02/71/42/330027142.db2.gz YKMJJWBHCATMDT-CQSZACIVSA-N 2 0 278.444 2.113 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422832241 330156862 /nfs/dbraw/zinc/15/68/62/330156862.db2.gz KYISELWRPIHLNB-BRWVUGGUSA-N 2 0 279.472 2.273 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422974518 330164712 /nfs/dbraw/zinc/16/47/12/330164712.db2.gz FAQAZVMXINGRRO-GOEBONIOSA-N 2 0 265.445 2.005 20 30 CEEDRP C=CC[C@H](CO)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423019380 330165704 /nfs/dbraw/zinc/16/57/04/330165704.db2.gz VKMFZHDTNHMMKJ-QLFBSQMISA-N 2 0 254.418 2.071 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423158682 330173558 /nfs/dbraw/zinc/17/35/58/330173558.db2.gz WYGYNDQEMJGARZ-YJNKXOJESA-N 2 0 252.402 2.230 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410637 330197263 /nfs/dbraw/zinc/19/72/63/330197263.db2.gz DJWXLHOHSMDFEO-LSDHHAIUSA-N 2 0 252.402 2.089 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000424375274 330348454 /nfs/dbraw/zinc/34/84/54/330348454.db2.gz KDEZCKZZEBXLQM-XBVQOTNRSA-N 2 0 274.408 2.126 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000424389303 330349977 /nfs/dbraw/zinc/34/99/77/330349977.db2.gz ZZZPIIWQXJDBQC-NPJQDHAYSA-N 2 0 264.413 2.088 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000121093292 330396254 /nfs/dbraw/zinc/39/62/54/330396254.db2.gz BJDRMAJRTVLULQ-IAGOWNOFSA-N 2 0 280.456 2.414 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000449134765 330901126 /nfs/dbraw/zinc/90/11/26/330901126.db2.gz LGXGOMXJVFFZTM-JKSUJKDBSA-N 2 0 267.461 2.347 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000544612537 333940448 /nfs/dbraw/zinc/94/04/48/333940448.db2.gz GALNMICWOSJTGL-AWEZNQCLSA-N 2 0 254.418 2.166 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc(OC)c1O ZINC000577751896 335397527 /nfs/dbraw/zinc/39/75/27/335397527.db2.gz WGRJPAWQRJHTEV-RYUDHWBXSA-N 2 0 278.396 2.345 20 30 CEEDRP C=CCOc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1 ZINC000347097320 526861035 /nfs/dbraw/zinc/86/10/35/526861035.db2.gz JIDLZERQAXNYHU-UHFFFAOYSA-N 2 0 260.381 2.435 20 30 CEEDRP C#CCSCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000740018469 574939188 /nfs/dbraw/zinc/93/91/88/574939188.db2.gz UMFCRHSWJQFZHU-UHFFFAOYSA-N 2 0 292.448 2.083 20 30 CEEDRP CCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000049555224 622558152 /nfs/dbraw/zinc/55/81/52/622558152.db2.gz PPVNMRAWPNBSFK-KRWDZBQOSA-N 2 0 287.407 2.056 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000157398582 624976061 /nfs/dbraw/zinc/97/60/61/624976061.db2.gz UMQNHZXVFIDLGY-OAHLLOKOSA-N 2 0 280.460 2.155 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926609813 625276667 /nfs/dbraw/zinc/27/66/67/625276667.db2.gz BAFKXTKTNGSZNQ-VGWMRTNUSA-N 2 0 264.413 2.184 20 30 CEEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000925559023 628224409 /nfs/dbraw/zinc/22/44/09/628224409.db2.gz VIFPGBQDYDYQOK-KBMXLJTQSA-N 2 0 293.455 2.282 20 30 CEEDRP C#CCCCCCC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000877499066 629170474 /nfs/dbraw/zinc/17/04/74/629170474.db2.gz LEHMTJOLVHDBOE-UHFFFAOYSA-N 2 0 279.472 2.186 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@](C)(CC)C1 ZINC000261800648 629245797 /nfs/dbraw/zinc/24/57/97/629245797.db2.gz RLLYUSAHTSTUNX-RDJZCZTQSA-N 2 0 294.487 2.416 20 30 CEEDRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C1CC1 ZINC000261992808 629414855 /nfs/dbraw/zinc/41/48/55/629414855.db2.gz MSQBXVULZAYWLH-MRXNPFEDSA-N 2 0 286.423 2.242 20 30 CEEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c3c(O)cccc23)CC1 ZINC000895808594 630351034 /nfs/dbraw/zinc/35/10/34/630351034.db2.gz QCENKBBITRDDJP-UHFFFAOYSA-N 2 0 281.359 2.450 20 30 CEEDRP CCCCCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCCC1 ZINC000303895109 631092913 /nfs/dbraw/zinc/09/29/13/631092913.db2.gz SXYHMOLZBLFLGF-CQSZACIVSA-N 2 0 268.449 2.203 20 30 CEEDRP CCCCCCNC(=[NH2+])NCC[N@H+](C)[C@H](C)CC ZINC000303987521 631096042 /nfs/dbraw/zinc/09/60/42/631096042.db2.gz VOPWPDVUDUPYAP-CYBMUJFWSA-N 2 0 256.438 2.201 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)N(CCC)CC[NH+]1CCCCCC1 ZINC000813855110 632746955 /nfs/dbraw/zinc/74/69/55/632746955.db2.gz KZRYCXXGBDTSIT-UHFFFAOYSA-N 2 0 295.471 2.219 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000817972405 633815171 /nfs/dbraw/zinc/81/51/71/633815171.db2.gz WVPCVIRIVSBQDH-DZKIICNBSA-N 2 0 272.392 2.490 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000900956305 633905641 /nfs/dbraw/zinc/90/56/41/633905641.db2.gz VLTVVCVZZXWHDV-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH+]1CCC(C[NH3+])CC1 ZINC000903420527 635122079 /nfs/dbraw/zinc/12/20/79/635122079.db2.gz AROJJNYNORQKME-UHFFFAOYSA-N 2 0 257.381 2.346 20 30 CEEDRP C=CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767332 635259604 /nfs/dbraw/zinc/25/96/04/635259604.db2.gz VPZWROGKVDTRRW-OWCLPIDISA-N 2 0 264.413 2.043 20 30 CEEDRP C=CCC1([NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)CCCC1 ZINC000903932509 635358478 /nfs/dbraw/zinc/35/84/78/635358478.db2.gz CYPGBNRUMBSTQB-HNNXBMFYSA-N 2 0 290.455 2.324 20 30 CEEDRP N#Cc1cccc2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932092 635358664 /nfs/dbraw/zinc/35/86/64/635358664.db2.gz MCYUQZFENRRCPL-SFESLNEESA-N 2 0 267.376 2.404 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000876708423 650407966 /nfs/dbraw/zinc/40/79/66/650407966.db2.gz PUKJBZLMWBWDMV-OLZOCXBDSA-N 2 0 289.851 2.083 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000876741461 650415338 /nfs/dbraw/zinc/41/53/38/650415338.db2.gz RSXGEOFPAFZFTH-AWEZNQCLSA-N 2 0 295.814 2.051 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000876886984 650473774 /nfs/dbraw/zinc/47/37/74/650473774.db2.gz GXBHBIKWEQRPKR-AWEZNQCLSA-N 2 0 295.814 2.465 20 30 CEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913501 639685418 /nfs/dbraw/zinc/68/54/18/639685418.db2.gz JOQLLXFMHLLCLM-ZIAGYGMSSA-N 2 0 289.427 2.176 20 30 CEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC000993669350 640665773 /nfs/dbraw/zinc/66/57/73/640665773.db2.gz AQFQJOSYGKXRCH-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C#C[C@H]1CCC[N@H+](CCC[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847020647 641525725 /nfs/dbraw/zinc/52/57/25/641525725.db2.gz CWVYLBSNQXUIES-CALCHBBNSA-N 2 0 258.409 2.067 20 30 CEEDRP C[C@@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000848986565 642209600 /nfs/dbraw/zinc/20/96/00/642209600.db2.gz GBFRJAYIOYCJGA-HNNXBMFYSA-N 2 0 288.439 2.178 20 30 CEEDRP CCNC(NC[C@H]1CCC[N@@H+]1C1CCCCC1)=[NH+]CC ZINC000849026052 642238986 /nfs/dbraw/zinc/23/89/86/642238986.db2.gz LBGQYFDOGVRQNH-OAHLLOKOSA-N 2 0 280.460 2.359 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000999505200 642492894 /nfs/dbraw/zinc/49/28/94/642492894.db2.gz IEPKAVNQOZQXNT-UYSNPLJNSA-N 2 0 293.455 2.014 20 30 CEEDRP C[C@H]1C[N@H+](CCCNCc2csc(C#N)c2)CCCO1 ZINC000922063863 642861269 /nfs/dbraw/zinc/86/12/69/642861269.db2.gz KEAFMUGDPFXADE-ZDUSSCGKSA-N 2 0 293.436 2.210 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1nccc2c1CCCC2 ZINC000922146933 642904906 /nfs/dbraw/zinc/90/49/06/642904906.db2.gz GSDCGJZONWZKLK-UHFFFAOYSA-N 2 0 271.408 2.005 20 30 CEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000923364332 643679555 /nfs/dbraw/zinc/67/95/55/643679555.db2.gz MEXHCWDJRRGAOQ-RCCFBDPRSA-N 2 0 299.418 2.056 20 30 CEEDRP CCCCN[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771551067 646531308 /nfs/dbraw/zinc/53/13/08/646531308.db2.gz PLLRBIQQZOZLLP-UHFFFAOYSA-N 2 0 274.412 2.162 20 30 CEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000872223832 649321422 /nfs/dbraw/zinc/32/14/22/649321422.db2.gz ZFTPOIKBVADWFL-INIZCTEOSA-N 2 0 293.455 2.141 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000873217423 649594035 /nfs/dbraw/zinc/59/40/35/649594035.db2.gz MCKFSWWJCSOWSI-MRXNPFEDSA-N 2 0 298.434 2.259 20 30 CEEDRP C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@@H]1CCC[NH2+]1 ZINC000873238628 649605659 /nfs/dbraw/zinc/60/56/59/649605659.db2.gz CWMNHALTTZBREE-PBHICJAKSA-N 2 0 298.434 2.257 20 30 CEEDRP C[NH+]1CCC2(CCC[N@H+](CC3(CC#N)CC3)C2)CC1 ZINC000878549058 651126903 /nfs/dbraw/zinc/12/69/03/651126903.db2.gz DKOHEAIIPCJWTR-UHFFFAOYSA-N 2 0 261.413 2.488 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCO1 ZINC000883180621 652391455 /nfs/dbraw/zinc/39/14/55/652391455.db2.gz GVWIXMWCKHCSGP-HUUCEWRRSA-N 2 0 254.418 2.432 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCCO1 ZINC000883234122 652409395 /nfs/dbraw/zinc/40/93/95/652409395.db2.gz XJPLGKDUMPHYKH-FZKCQIBNSA-N 2 0 266.429 2.430 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000134035647 652759427 /nfs/dbraw/zinc/75/94/27/652759427.db2.gz VSDFDTGGLCMPPX-CQSZACIVSA-N 2 0 280.460 2.201 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@H]1CC ZINC001087725788 805780369 /nfs/dbraw/zinc/78/03/69/805780369.db2.gz DBUSHPKQVPULTR-OWCLPIDISA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001271311666 805911775 /nfs/dbraw/zinc/91/17/75/805911775.db2.gz QBTPMGAOQGTJQP-JKSUJKDBSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605184 806504718 /nfs/dbraw/zinc/50/47/18/806504718.db2.gz KHRMKJPXQYRDKS-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1O ZINC001246310818 813769916 /nfs/dbraw/zinc/76/99/16/813769916.db2.gz MYDNOJLOSIANQP-KKUMJFAQSA-N 2 0 256.434 2.438 20 30 CEEDRP C=CCCCCC[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637195 803369684 /nfs/dbraw/zinc/36/96/84/803369684.db2.gz GMSHIXOCVPFTPU-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001267435819 803466285 /nfs/dbraw/zinc/46/62/85/803466285.db2.gz BLAZOKHDCCXTFM-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267627997 803632003 /nfs/dbraw/zinc/63/20/03/803632003.db2.gz JZQMXLHZODIXAE-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267627998 803632193 /nfs/dbraw/zinc/63/21/93/803632193.db2.gz JZQMXLHZODIXAE-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001268098043 804436075 /nfs/dbraw/zinc/43/60/75/804436075.db2.gz NHSWGFBGCKAGOI-JKSUJKDBSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)C[NH+]1CCC(CNC(=O)CC[N@@H+](C)CCC)CC1 ZINC001225245642 804806154 /nfs/dbraw/zinc/80/61/54/804806154.db2.gz UCNRXFQZJPLXPW-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001269308441 805121974 /nfs/dbraw/zinc/12/19/74/805121974.db2.gz CAAPZWGSLPZFNQ-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)CC1CC[NH+](C)CC1 ZINC001269476430 805176076 /nfs/dbraw/zinc/17/60/76/805176076.db2.gz CZNQLVCFWUTCIM-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586365 815192477 /nfs/dbraw/zinc/19/24/77/815192477.db2.gz MYUFMPVGEOWBFF-CQSZACIVSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527773 809624767 /nfs/dbraw/zinc/62/47/67/809624767.db2.gz HUIUXWDTQNYPIA-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015035046 810255192 /nfs/dbraw/zinc/25/51/92/810255192.db2.gz YESZVVKGVLOUNZ-CQSZACIVSA-N 2 0 298.390 2.023 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172304580 815362838 /nfs/dbraw/zinc/36/28/38/815362838.db2.gz OFCYRNJVSQUMBG-OLMNPRSZSA-N 2 0 283.419 2.373 20 30 CEEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172313056 815366904 /nfs/dbraw/zinc/36/69/04/815366904.db2.gz OHNDIOLUVQOKLZ-OLMNPRSZSA-N 2 0 283.419 2.373 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001038461367 810843173 /nfs/dbraw/zinc/84/31/73/810843173.db2.gz FGAYPBFENMWQOU-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C#Cc1cccc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)c1 ZINC001206014721 811604022 /nfs/dbraw/zinc/60/40/22/811604022.db2.gz XYKOIRWGTLNBBR-WMLDXEAASA-N 2 0 256.393 2.475 20 30 CEEDRP C=CCCN1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001113438850 812240589 /nfs/dbraw/zinc/24/05/89/812240589.db2.gz LBLOBYIBOIQRDZ-UHFFFAOYSA-N 2 0 295.471 2.219 20 30 CEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@@H](C)C2)CC1 ZINC001170159527 812292584 /nfs/dbraw/zinc/29/25/84/812292584.db2.gz VBMHSUQUKWERTM-QZTJIDSGSA-N 2 0 291.483 2.467 20 30 CEEDRP C=CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132152424 812791336 /nfs/dbraw/zinc/79/13/36/812791336.db2.gz CDIFYGCOLJQGMZ-CABCVRRESA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082025 813363629 /nfs/dbraw/zinc/36/36/29/813363629.db2.gz WPFRZPAKNYJNBP-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135376110 813418319 /nfs/dbraw/zinc/41/83/19/813418319.db2.gz QZBPOTIYFRKIIC-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001135475473 813442683 /nfs/dbraw/zinc/44/26/83/813442683.db2.gz AVZICTCMEZYCTM-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614291 813481664 /nfs/dbraw/zinc/48/16/64/813481664.db2.gz QAACQZQKWCMKNE-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768718 813518139 /nfs/dbraw/zinc/51/81/39/813518139.db2.gz SFXKZQSBVRPSEZ-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823631 813533955 /nfs/dbraw/zinc/53/39/55/813533955.db2.gz DQYSAUMYAZIFAC-CABCVRRESA-N 2 0 295.471 2.166 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861230 813550974 /nfs/dbraw/zinc/55/09/74/813550974.db2.gz OHJZSWANLAHGOW-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246196512 813727922 /nfs/dbraw/zinc/72/79/22/813727922.db2.gz GNRVKDXSWGEBAU-CZUORRHYSA-N 2 0 257.381 2.078 20 30 CEEDRP C=C/C(=[NH+]\COC)n1c2ccccc2c2c1C[C@@H]([NH3+])CC2 ZINC001171097994 813867818 /nfs/dbraw/zinc/86/78/18/813867818.db2.gz XQFIMVJGHHIADK-WVOMEGHKSA-N 2 0 283.375 2.494 20 30 CEEDRP C=CC[NH2+]C1CC(CNC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001100766148 814183478 /nfs/dbraw/zinc/18/34/78/814183478.db2.gz SHIDDWRLKDZVAJ-GPANFISMSA-N 2 0 295.471 2.023 20 30 CEEDRP C=CCCC[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCCC1 ZINC001115708127 814749235 /nfs/dbraw/zinc/74/92/35/814749235.db2.gz PMHNJZNJRJEUAA-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP Cc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1C#N ZINC001139725824 816096998 /nfs/dbraw/zinc/09/69/98/816096998.db2.gz DOLFGEPRLQFOFY-UHFFFAOYSA-N 2 0 269.392 2.394 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176759539 816473466 /nfs/dbraw/zinc/47/34/66/816473466.db2.gz JHVNIVFJIPILQQ-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001178729439 816793008 /nfs/dbraw/zinc/79/30/08/816793008.db2.gz YAOBSCHJSAUUDY-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179499136 816871673 /nfs/dbraw/zinc/87/16/73/816871673.db2.gz NCJOEPFCZIRPRS-MRXNPFEDSA-N 2 0 297.487 2.415 20 30 CEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602480742 347053513 /nfs/dbraw/zinc/05/35/13/347053513.db2.gz XUEMZXLIYPKUMI-HOTGVXAUSA-N 2 0 281.444 2.359 20 30 CEEDRP C[C@H](CCC#N)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000602486727 347055718 /nfs/dbraw/zinc/05/57/18/347055718.db2.gz OYSSRKVKQLFDIL-QKPAOTATSA-N 2 0 279.428 2.110 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522572 347065888 /nfs/dbraw/zinc/06/58/88/347065888.db2.gz YCBDNPNJEMFBJM-CABCVRRESA-N 2 0 279.428 2.017 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000584584677 344959445 /nfs/dbraw/zinc/95/94/45/344959445.db2.gz DGWWTNVEDWRINJ-WQVCFCJDSA-N 2 0 275.396 2.233 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000246892336 539462872 /nfs/dbraw/zinc/46/28/72/539462872.db2.gz RHZMTVQGTUDUQU-IRXDYDNUSA-N 2 0 277.456 2.243 20 30 CEEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000594440275 345631333 /nfs/dbraw/zinc/63/13/33/345631333.db2.gz BKSADSUFIYJFGT-HNNXBMFYSA-N 2 0 297.362 2.222 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594956605 345715738 /nfs/dbraw/zinc/71/57/38/345715738.db2.gz XGCZGDXJTUSLIL-DLBZAZTESA-N 2 0 269.392 2.317 20 30 CEEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595509528 345799081 /nfs/dbraw/zinc/79/90/81/345799081.db2.gz GWIKTPUABZBYGI-QGZVFWFLSA-N 2 0 269.392 2.128 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000595887561 345906731 /nfs/dbraw/zinc/90/67/31/345906731.db2.gz FZCZMSSDOHUEFQ-BBWFWOEESA-N 2 0 269.392 2.160 20 30 CEEDRP N#CCC[C@@H](C#N)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000596067650 345931913 /nfs/dbraw/zinc/93/19/13/345931913.db2.gz PJWVGYRNZJVLJN-INIZCTEOSA-N 2 0 274.412 2.142 20 30 CEEDRP CCCC[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598722012 346408016 /nfs/dbraw/zinc/40/80/16/346408016.db2.gz YHPKYAUQOMJFCN-HNNXBMFYSA-N 2 0 281.444 2.141 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000600767261 346686543 /nfs/dbraw/zinc/68/65/43/346686543.db2.gz AHMYMAUVCKVLEV-ZIAGYGMSSA-N 2 0 273.380 2.363 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](C)CCC#N ZINC000602657983 347127751 /nfs/dbraw/zinc/12/77/51/347127751.db2.gz VSWGJRPUIOOLQF-SJORKVTESA-N 2 0 294.487 2.274 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](CCCSCC#N)C2)CC1 ZINC000602877789 347235325 /nfs/dbraw/zinc/23/53/25/347235325.db2.gz QSFBIHMLXKMDSU-UHFFFAOYSA-N 2 0 267.442 2.051 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623407469 350011385 /nfs/dbraw/zinc/01/13/85/350011385.db2.gz GYIHVYWXMPUICY-MRXNPFEDSA-N 2 0 279.472 2.489 20 30 CEEDRP C=CCN1CCC([NH2+][C@H](C)[C@@H]2CCCCO2)CC1 ZINC000623889166 350135736 /nfs/dbraw/zinc/13/57/36/350135736.db2.gz GDPCMLXDBDTBBT-HIFRSBDPSA-N 2 0 252.402 2.184 20 30 CEEDRP C[N@@H+](Cc1ccc(C#N)s1)CC1CC[NH+](C)CC1 ZINC000132221059 366127917 /nfs/dbraw/zinc/12/79/17/366127917.db2.gz KYOJPQZPFBXYMG-UHFFFAOYSA-N 2 0 263.410 2.393 20 30 CEEDRP CCCC[N@H+](C)CC1CC[NH+](CC#CCOC)CC1 ZINC000677477610 541018296 /nfs/dbraw/zinc/01/82/96/541018296.db2.gz NYEZXYDKZKCPRI-UHFFFAOYSA-N 2 0 266.429 2.080 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181488368 189297778 /nfs/dbraw/zinc/29/77/78/189297778.db2.gz JILASPBPYUNYGF-AWEZNQCLSA-N 2 0 275.396 2.177 20 30 CEEDRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000087823731 363870759 /nfs/dbraw/zinc/87/07/59/363870759.db2.gz NBWHTKTYMCJVKP-AWEZNQCLSA-N 2 0 285.391 2.141 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1CC1 ZINC000120167895 365383598 /nfs/dbraw/zinc/38/35/98/365383598.db2.gz XYHRNDRLDIQHCJ-DOTOQJQBSA-N 2 0 279.472 2.347 20 30 CEEDRP CCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908884 367444494 /nfs/dbraw/zinc/44/44/94/367444494.db2.gz IKHOAABCTPKNON-UHFFFAOYSA-N 2 0 288.439 2.487 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000335539559 212238644 /nfs/dbraw/zinc/23/86/44/212238644.db2.gz PALUMNVAGFKWNX-KRWDZBQOSA-N 2 0 269.392 2.380 20 30 CEEDRP C=CCc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(OC)c1O ZINC000346693814 368776209 /nfs/dbraw/zinc/77/62/09/368776209.db2.gz PVDSDYLQCXMFFA-JSGCOSHPSA-N 2 0 290.407 2.298 20 30 CEEDRP C=CCC[C@@H](C)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635008424 369044819 /nfs/dbraw/zinc/04/48/19/369044819.db2.gz JRNUODKTTDNZEK-CYBMUJFWSA-N 2 0 260.385 2.258 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@H+](CCC#N)CC2CC2)CC1 ZINC000191526399 369721293 /nfs/dbraw/zinc/72/12/93/369721293.db2.gz NWIGNZNBVZHUJD-UHFFFAOYSA-N 2 0 292.471 2.028 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353594752 370117180 /nfs/dbraw/zinc/11/71/80/370117180.db2.gz NNNXODHNJMPFSY-JJTUDDRGSA-N 2 0 278.440 2.430 20 30 CEEDRP COc1cc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235009179 370553469 /nfs/dbraw/zinc/55/34/69/370553469.db2.gz INHKMSVTZSJYFS-HZPDHXFCSA-N 2 0 285.391 2.283 20 30 CEEDRP C=C(CC)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000358834103 371240955 /nfs/dbraw/zinc/24/09/55/371240955.db2.gz TYYKLPAVOLKURE-UHFFFAOYSA-N 2 0 279.472 2.443 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000639756117 371547020 /nfs/dbraw/zinc/54/70/20/371547020.db2.gz QIYQVTLCLVBRKH-UHFFFAOYSA-N 2 0 268.404 2.456 20 30 CEEDRP N#Cc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360929507 371548546 /nfs/dbraw/zinc/54/85/46/371548546.db2.gz XNLRCOAVYSCKBI-SQNIBIBYSA-N 2 0 281.403 2.474 20 30 CEEDRP CCNC(=[NH2+])NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000264092811 371966932 /nfs/dbraw/zinc/96/69/32/371966932.db2.gz LKFNGXBMYZSWCH-OAHLLOKOSA-N 2 0 274.412 2.056 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000264106765 371970834 /nfs/dbraw/zinc/97/08/34/371970834.db2.gz PTCHFRQRISBARK-CYBMUJFWSA-N 2 0 260.385 2.145 20 30 CEEDRP CCN(CC)C(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264133422 371975763 /nfs/dbraw/zinc/97/57/63/371975763.db2.gz YULJBUHUZFZDSZ-UHFFFAOYSA-N 2 0 288.439 2.091 20 30 CEEDRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423216347 377130920 /nfs/dbraw/zinc/13/09/20/377130920.db2.gz RTRDTEJNUGSMMB-RYUDHWBXSA-N 2 0 261.344 2.348 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000333631389 377808347 /nfs/dbraw/zinc/80/83/47/377808347.db2.gz AYCBYKDHCWRIOR-ROUUACIJSA-N 2 0 299.418 2.277 20 30 CEEDRP CC(C)C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000303360276 394479094 /nfs/dbraw/zinc/47/90/94/394479094.db2.gz BOFKBSPZBKXBIO-CQSZACIVSA-N 2 0 268.449 2.009 20 30 CEEDRP C[NH+](C)CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267302446 394675867 /nfs/dbraw/zinc/67/58/67/394675867.db2.gz LPSXDINQOYJNHB-UHFFFAOYSA-N 2 0 274.412 2.244 20 30 CEEDRP CNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000267464606 394680165 /nfs/dbraw/zinc/68/01/65/394680165.db2.gz WBKIIWMYALIRNY-UKRRQHHQSA-N 2 0 276.428 2.286 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NCC2=CC[N@H+](C)CC2)c1 ZINC000271768173 394764357 /nfs/dbraw/zinc/76/43/57/394764357.db2.gz DSFCABGLLOZFHX-UHFFFAOYSA-N 2 0 272.396 2.292 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CC2 ZINC000335506353 394771947 /nfs/dbraw/zinc/77/19/47/394771947.db2.gz YRJJCOLMPMLVPN-MRXNPFEDSA-N 2 0 253.349 2.055 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353616949 395303433 /nfs/dbraw/zinc/30/34/33/395303433.db2.gz CFKDXUGXDVZHSL-RRFJBIMHSA-N 2 0 252.402 2.042 20 30 CEEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000491737773 395670570 /nfs/dbraw/zinc/67/05/70/395670570.db2.gz VWIJZVFXNSNDAW-UHFFFAOYSA-N 2 0 272.396 2.140 20 30 CEEDRP C=CCOc1cccc(C[NH2+]CCC2(C[NH3+])CC2)c1 ZINC000650712151 401002039 /nfs/dbraw/zinc/00/20/39/401002039.db2.gz SKCIMVNUZFYQHL-UHFFFAOYSA-N 2 0 260.381 2.470 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000651674427 401369541 /nfs/dbraw/zinc/36/95/41/401369541.db2.gz OTCZWYXDWIOSEN-JKSUJKDBSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651705147 401375135 /nfs/dbraw/zinc/37/51/35/401375135.db2.gz IYPFBVKUSJILEL-BRWVUGGUSA-N 2 0 279.472 2.204 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000367598304 156213790 /nfs/dbraw/zinc/21/37/90/156213790.db2.gz DPENOAXGEZZTSN-OKZBNKHCSA-N 2 0 299.418 2.399 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000665229902 415632557 /nfs/dbraw/zinc/63/25/57/415632557.db2.gz GCODKTXIXQRCPP-KFWWJZLASA-N 2 0 254.418 2.465 20 30 CEEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccccc1 ZINC000277909609 263044431 /nfs/dbraw/zinc/04/44/31/263044431.db2.gz FXSVDBBCGCZZIA-UHFFFAOYSA-N 2 0 272.396 2.288 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415042581 263257330 /nfs/dbraw/zinc/25/73/30/263257330.db2.gz RALOBCHQUJCMOP-HUUCEWRRSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415042577 263257423 /nfs/dbraw/zinc/25/74/23/263257423.db2.gz RALOBCHQUJCMOP-CABCVRRESA-N 2 0 260.381 2.468 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000163502339 264356951 /nfs/dbraw/zinc/35/69/51/264356951.db2.gz QKGMDFKHBJMAPI-KFWWJZLASA-N 2 0 252.402 2.089 20 30 CEEDRP CC1(C#N)CCC([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000335031008 278170116 /nfs/dbraw/zinc/17/01/16/278170116.db2.gz DWRIGZOOEIJUNA-PWUWZPNHSA-N 2 0 261.413 2.437 20 30 CEEDRP Cn1ccnc1[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000571445979 328121811 /nfs/dbraw/zinc/12/18/11/328121811.db2.gz FARCEJKNPYEWKJ-MRXNPFEDSA-N 2 0 265.360 2.261 20 30 CEEDRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000581245538 322380463 /nfs/dbraw/zinc/38/04/63/322380463.db2.gz ILVHSTYWUOPEFZ-NSHDSACASA-N 2 0 261.344 2.348 20 30 CEEDRP CCN(CC[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21)C1CC1 ZINC000378454068 329051171 /nfs/dbraw/zinc/05/11/71/329051171.db2.gz PHMFMUGUFMEPEO-VQHPVUNQSA-N 2 0 291.439 2.300 20 30 CEEDRP C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000173906622 329153649 /nfs/dbraw/zinc/15/36/49/329153649.db2.gz KFORVRABSIWZRD-HOTGVXAUSA-N 2 0 295.471 2.073 20 30 CEEDRP CN1CC[NH+]=C1NCc1ccccc1C[NH+]1CCCCC1 ZINC000262683744 330026931 /nfs/dbraw/zinc/02/69/31/330026931.db2.gz XOAVLYNWEQGVGO-UHFFFAOYSA-N 2 0 286.423 2.064 20 30 CEEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)N1CCCCCC1 ZINC000262810857 330033198 /nfs/dbraw/zinc/03/31/98/330033198.db2.gz UHKPWUBDQPTLIW-UHFFFAOYSA-N 2 0 278.444 2.052 20 30 CEEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(C)C ZINC000422827661 330156676 /nfs/dbraw/zinc/15/66/76/330156676.db2.gz DYZZHTJQAUFMGW-IXDOHACOSA-N 2 0 279.472 2.402 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834962 330156806 /nfs/dbraw/zinc/15/68/06/330156806.db2.gz ONLSNHHNKXBBJF-BBWFWOEESA-N 2 0 279.472 2.415 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095646 330169797 /nfs/dbraw/zinc/16/97/97/330169797.db2.gz MUMPYMAWAQGYPD-KBXIAJHMSA-N 2 0 252.402 2.088 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423409193 330196927 /nfs/dbraw/zinc/19/69/27/330196927.db2.gz BJGSWVXHDNJWCB-HUUCEWRRSA-N 2 0 254.418 2.480 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423374755 330198628 /nfs/dbraw/zinc/19/86/28/330198628.db2.gz IJDYHSJVHMPXKZ-INIZCTEOSA-N 2 0 293.455 2.051 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386441 330199680 /nfs/dbraw/zinc/19/96/80/330199680.db2.gz LFTLCPQGLDBQJJ-YNEHKIRRSA-N 2 0 293.377 2.013 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000424369926 330348151 /nfs/dbraw/zinc/34/81/51/330348151.db2.gz DCSPCPOFBZUIKG-QXSJWSMHSA-N 2 0 266.429 2.478 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000449124968 330900371 /nfs/dbraw/zinc/90/03/71/330900371.db2.gz RFGAEVVQUKSFTL-OAHLLOKOSA-N 2 0 268.445 2.415 20 30 CEEDRP C=CCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249500640 334335023 /nfs/dbraw/zinc/33/50/23/334335023.db2.gz XDDSTPRCZSPVGE-GJZGRUSLSA-N 2 0 254.418 2.289 20 30 CEEDRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)ccc1C#N ZINC000415023001 533885102 /nfs/dbraw/zinc/88/51/02/533885102.db2.gz KBOZDRIHGYIHPZ-HDJSIYSDSA-N 2 0 287.407 2.422 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000728712096 574468824 /nfs/dbraw/zinc/46/88/24/574468824.db2.gz ZOMWLAXYTRMEOS-ZFWWWQNUSA-N 2 0 273.380 2.161 20 30 CEEDRP C=CC[C@@H]1CC[NH+]1CCOCC[N@H+]1CC[C@H]1CC=C ZINC000934462563 624509894 /nfs/dbraw/zinc/50/98/94/624509894.db2.gz XVBXVHVOKJFGRX-HZPDHXFCSA-N 2 0 264.413 2.304 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384496 634627952 /nfs/dbraw/zinc/62/79/52/634627952.db2.gz SJJYTNMDXTVACZ-ILXRZTDVSA-N 2 0 266.429 2.335 20 30 CEEDRP CCCCCCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000104172182 628680701 /nfs/dbraw/zinc/68/07/01/628680701.db2.gz NPSKGNMGGCGBGJ-AWEZNQCLSA-N 2 0 268.449 2.203 20 30 CEEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NCC2CCC2)C1 ZINC000262025799 629450381 /nfs/dbraw/zinc/45/03/81/629450381.db2.gz ZGTBTNCHBIEXHM-CYBMUJFWSA-N 2 0 280.460 2.201 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303253930 631079063 /nfs/dbraw/zinc/07/90/63/631079063.db2.gz DKXHVQRETFUKFW-QLFBSQMISA-N 2 0 282.476 2.447 20 30 CEEDRP CCC[NH+]1CCC(CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000303863875 631092378 /nfs/dbraw/zinc/09/23/78/631092378.db2.gz APSXDKJDQGAVQB-CQSZACIVSA-N 2 0 280.460 2.155 20 30 CEEDRP CCc1ccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000303980762 631096556 /nfs/dbraw/zinc/09/65/56/631096556.db2.gz OMFWFYZYZLLMLB-GFCCVEGCSA-N 2 0 274.412 2.458 20 30 CEEDRP CC1CC[NH+](CCCNC(=[NH2+])N2CCCCCC2)CC1 ZINC000305033326 631105754 /nfs/dbraw/zinc/10/57/54/631105754.db2.gz AWQZIMDEGOWUQE-UHFFFAOYSA-N 2 0 280.460 2.299 20 30 CEEDRP CC[C@@H](CNC(=[NH2+])N1CCCCCC1)[NH+]1CCCC1 ZINC000305090748 631108707 /nfs/dbraw/zinc/10/87/07/631108707.db2.gz WRKOBNBUANPAMS-AWEZNQCLSA-N 2 0 266.433 2.052 20 30 CEEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000925273847 631525361 /nfs/dbraw/zinc/52/53/61/631525361.db2.gz IJUCSDBSZQZOTL-AWEZNQCLSA-N 2 0 281.444 2.140 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000900214953 633594863 /nfs/dbraw/zinc/59/48/63/633594863.db2.gz ABQZOAVTPCBRCO-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000817942041 633789977 /nfs/dbraw/zinc/78/99/77/633789977.db2.gz WCMCAKKJSPEWGT-CQSZACIVSA-N 2 0 272.392 2.349 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000819268810 634122187 /nfs/dbraw/zinc/12/21/87/634122187.db2.gz VWXNDJHYCJEQTR-SFHVURJKSA-N 2 0 299.418 2.056 20 30 CEEDRP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000819353535 634150279 /nfs/dbraw/zinc/15/02/79/634150279.db2.gz DKXKHOUUFDSGRI-GOSISDBHSA-N 2 0 299.418 2.198 20 30 CEEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000827555179 636351715 /nfs/dbraw/zinc/35/17/15/636351715.db2.gz PIRHICWJEMIXBG-GOSISDBHSA-N 2 0 299.418 2.068 20 30 CEEDRP C=CCCOCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000231801637 639879569 /nfs/dbraw/zinc/87/95/69/639879569.db2.gz PXRIETILPIZNRX-HUUCEWRRSA-N 2 0 254.418 2.480 20 30 CEEDRP C=CCc1cc(C[NH2+]C2CCC([NH3+])CC2)cc(OC)c1O ZINC000843103756 640281512 /nfs/dbraw/zinc/28/15/12/640281512.db2.gz BZVWNLLDIKXIMQ-UHFFFAOYSA-N 2 0 290.407 2.489 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000843339806 640394040 /nfs/dbraw/zinc/39/40/40/640394040.db2.gz DKRXWTTXUJEXEH-FVQBIDKESA-N 2 0 285.391 2.045 20 30 CEEDRP C=C[C@H](C)O[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000844621650 640787080 /nfs/dbraw/zinc/78/70/80/640787080.db2.gz KCADJYYPAKNKCR-AWEZNQCLSA-N 2 0 273.380 2.363 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000237551239 641351282 /nfs/dbraw/zinc/35/12/82/641351282.db2.gz OQAPTUFKOPILJZ-KBPBESRZSA-N 2 0 275.396 2.407 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC000996748050 642132211 /nfs/dbraw/zinc/13/22/11/642132211.db2.gz QGTMAEBYKHAVIL-UHFFFAOYSA-N 2 0 298.390 2.023 20 30 CEEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC1 ZINC000849076281 642259844 /nfs/dbraw/zinc/25/98/44/642259844.db2.gz CJZRJYICPMPSLT-INIZCTEOSA-N 2 0 292.471 2.359 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001000381593 642596943 /nfs/dbraw/zinc/59/69/43/642596943.db2.gz ZPAFLMJIWMHWMQ-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413395 643701743 /nfs/dbraw/zinc/70/17/43/643701743.db2.gz FOHRZOCNYPOSNP-UKRRQHHQSA-N 2 0 254.418 2.010 20 30 CEEDRP CC[NH+](CC)CC#C[C@@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793179809 648718433 /nfs/dbraw/zinc/71/84/33/648718433.db2.gz MGTWRARMRBWMFF-CQSZACIVSA-N 2 0 299.374 2.225 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000873275665 649621344 /nfs/dbraw/zinc/62/13/44/649621344.db2.gz MXMYRZMZINSDFV-DZJNRPSUSA-N 2 0 281.403 2.003 20 30 CEEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873295097 649631262 /nfs/dbraw/zinc/63/12/62/649631262.db2.gz ZCDCLNMTBPIABT-PCKAHOCUSA-N 2 0 291.439 2.207 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCO1 ZINC000883209383 652401616 /nfs/dbraw/zinc/40/16/16/652401616.db2.gz BBUUXWHJVKIQPR-HZPDHXFCSA-N 2 0 264.413 2.352 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001271447512 805959861 /nfs/dbraw/zinc/95/98/61/805959861.db2.gz KXALJUWZFIZHLB-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001271886657 806127613 /nfs/dbraw/zinc/12/76/13/806127613.db2.gz VBIJCLMMYUNUNZ-HOTGVXAUSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)C[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167045363 802316632 /nfs/dbraw/zinc/31/66/32/802316632.db2.gz SZVCHRIEAWUYMT-OAHLLOKOSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001167179783 802561171 /nfs/dbraw/zinc/56/11/71/802561171.db2.gz RCFHABDLLUELIR-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001211234121 802795792 /nfs/dbraw/zinc/79/57/92/802795792.db2.gz UTRPVUHGIYQFHW-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038240504 803177405 /nfs/dbraw/zinc/17/74/05/803177405.db2.gz QJNPYOBIOBZFSF-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001283621958 803523656 /nfs/dbraw/zinc/52/36/56/803523656.db2.gz PPDSSIYHKRGVCO-GDBMZVCRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267887942 803801556 /nfs/dbraw/zinc/80/15/56/803801556.db2.gz RTWUWULAPXIPNV-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001268748101 804958116 /nfs/dbraw/zinc/95/81/16/804958116.db2.gz DJUAYIGYFINBBQ-JKSUJKDBSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001284070652 807065169 /nfs/dbraw/zinc/06/51/69/807065169.db2.gz JNXVZIPOIFARHU-WBVHZDCISA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168667847 808870578 /nfs/dbraw/zinc/87/05/78/808870578.db2.gz ZUYABPOLLHPTFK-INIZCTEOSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001034241296 809561815 /nfs/dbraw/zinc/56/18/15/809561815.db2.gz XKGVWXAONMIXSB-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001034690425 809665638 /nfs/dbraw/zinc/66/56/38/809665638.db2.gz RJYGXLLUBSUBRG-SHTZXODSSA-N 2 0 298.390 2.151 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC1 ZINC001273153672 810052065 /nfs/dbraw/zinc/05/20/65/810052065.db2.gz BKWFZAJRIQHHKD-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001015499830 810298012 /nfs/dbraw/zinc/29/80/12/810298012.db2.gz QYULJVBUWXZFIC-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCCC1(CC[NH2+]C2CC[NH+](CCCOC)CC2)N=N1 ZINC001172249688 815358889 /nfs/dbraw/zinc/35/88/89/815358889.db2.gz NENCZTIISCEOOF-UHFFFAOYSA-N 2 0 292.427 2.043 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001121909584 815365934 /nfs/dbraw/zinc/36/59/34/815365934.db2.gz VUMGCJCLGWYGLQ-JKSUJKDBSA-N 2 0 295.471 2.441 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001172295408 815386405 /nfs/dbraw/zinc/38/64/05/815386405.db2.gz RFCOHPBMJUNODD-PBHICJAKSA-N 2 0 271.408 2.421 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521419 810853726 /nfs/dbraw/zinc/85/37/26/810853726.db2.gz XJUDPOKDYPGVQZ-MRXNPFEDSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001038783891 810912267 /nfs/dbraw/zinc/91/22/67/810912267.db2.gz ZRKCSTGQNSCFTG-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822709 811140937 /nfs/dbraw/zinc/14/09/37/811140937.db2.gz YCKYUFZDCHZVIB-HNNXBMFYSA-N 2 0 283.460 2.147 20 30 CEEDRP CN(C)/C=[NH+]/c1ccc(-n2ccc(C[NH3+])c2)cc1C#N ZINC001169725435 811627032 /nfs/dbraw/zinc/62/70/32/811627032.db2.gz HEQDYJBZPYRFNI-WOJGMQOQSA-N 2 0 267.336 2.029 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001113305530 812212618 /nfs/dbraw/zinc/21/26/18/812212618.db2.gz UHMCVMCYSCUQBM-HZPDHXFCSA-N 2 0 295.471 2.072 20 30 CEEDRP CC[C@H](CC#N)[NH+]=C(C)NCc1cccc(C[NH3+])c1 ZINC001255163981 812722671 /nfs/dbraw/zinc/72/26/71/812722671.db2.gz GJRUNMTVSOTRJY-OAHLLOKOSA-N 2 0 258.369 2.346 20 30 CEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106956 812788882 /nfs/dbraw/zinc/78/88/82/812788882.db2.gz WPXFYBSZIQVUJF-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111724 812790529 /nfs/dbraw/zinc/79/05/29/812790529.db2.gz WVQSJASKKMZOJH-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269551 812816709 /nfs/dbraw/zinc/81/67/09/812816709.db2.gz LVIFPZLFXWGYNQ-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052499515 813000786 /nfs/dbraw/zinc/00/07/86/813000786.db2.gz WRFVHQYBQCJCGZ-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706468 813509087 /nfs/dbraw/zinc/50/90/87/813509087.db2.gz VBALVBIYTQFHCR-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768719 813518380 /nfs/dbraw/zinc/51/83/80/813518380.db2.gz SFXKZQSBVRPSEZ-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246026627 813664800 /nfs/dbraw/zinc/66/48/00/813664800.db2.gz WLJSLQRIOSHSQR-SJORKVTESA-N 2 0 298.471 2.050 20 30 CEEDRP CCCCCCC[C@@H](C)[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246461432 813845047 /nfs/dbraw/zinc/84/50/47/813845047.db2.gz IQKLCLAHRWOKLD-CABCVRRESA-N 2 0 267.461 2.419 20 30 CEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125676 813990013 /nfs/dbraw/zinc/99/00/13/813990013.db2.gz JGDOAARAIZJLCT-HUUCEWRRSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[N@@H+](C)CC ZINC001099299690 813998279 /nfs/dbraw/zinc/99/82/79/813998279.db2.gz UHSNHXZYAHEQDV-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248447 814222208 /nfs/dbraw/zinc/22/22/08/814222208.db2.gz VFWLPGMLSSZGKC-HOCLYGCPSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001146398506 814282135 /nfs/dbraw/zinc/28/21/35/814282135.db2.gz PGKAAISLTDDHSF-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537648 814295272 /nfs/dbraw/zinc/29/52/72/814295272.db2.gz ZDNDXIHYSYCXJN-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001174961150 816116087 /nfs/dbraw/zinc/11/60/87/816116087.db2.gz KQVGBPOKXRRCPR-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175047939 816129174 /nfs/dbraw/zinc/12/91/74/816129174.db2.gz DRFPCWAEQSGBRN-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164683 816366667 /nfs/dbraw/zinc/36/66/67/816366667.db2.gz DGKJPQLGACEVJK-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP COc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000121135908 365526323 /nfs/dbraw/zinc/52/63/23/365526323.db2.gz BKJSYVWWSPNEPP-XJKSGUPXSA-N 2 0 287.407 2.481 20 30 CEEDRP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000335538329 212236240 /nfs/dbraw/zinc/23/62/40/212236240.db2.gz IVROHWLBINNFJC-DLBZAZTESA-N 2 0 269.392 2.380 20 30 CEEDRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000601973619 346947126 /nfs/dbraw/zinc/94/71/26/346947126.db2.gz RSIOIWLCHQQCDZ-HNNXBMFYSA-N 2 0 257.381 2.426 20 30 CEEDRP C=C(C)CN(CC)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056525135 343617936 /nfs/dbraw/zinc/61/79/36/343617936.db2.gz UQOLGOLFSRQIHX-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP C[NH+](C)CCC[C@H]1CN(Cc2ccc(C#N)cc2)CCO1 ZINC000595905047 345910863 /nfs/dbraw/zinc/91/08/63/345910863.db2.gz PCSQCQKONWFBTM-KRWDZBQOSA-N 2 0 287.407 2.101 20 30 CEEDRP N#Cc1cccc(C2([NH2+]CC3CC[NH2+]CC3)CCOCC2)c1 ZINC000595910411 345911579 /nfs/dbraw/zinc/91/15/79/345911579.db2.gz PQSXLMQVLVRJHS-UHFFFAOYSA-N 2 0 299.418 2.153 20 30 CEEDRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590719 346378639 /nfs/dbraw/zinc/37/86/39/346378639.db2.gz SRBOGABDWANJPV-HNNXBMFYSA-N 2 0 281.444 2.092 20 30 CEEDRP C[NH+](C)CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)(C)C ZINC000598719141 346407041 /nfs/dbraw/zinc/40/70/41/346407041.db2.gz HVNJAWNODGHORG-UONOGXRCSA-N 2 0 283.460 2.243 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724127 346408891 /nfs/dbraw/zinc/40/88/91/346408891.db2.gz IPTOIKMCKINVBZ-CVEARBPZSA-N 2 0 295.471 2.245 20 30 CEEDRP C[NH2+]CC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000600699374 346673556 /nfs/dbraw/zinc/67/35/56/346673556.db2.gz AACUVOCTXAVVRO-UHFFFAOYSA-N 2 0 257.381 2.298 20 30 CEEDRP Cc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1C#N ZINC000600704769 346674321 /nfs/dbraw/zinc/67/43/21/346674321.db2.gz PXOXDRQZCTXPCE-CYBMUJFWSA-N 2 0 257.381 2.426 20 30 CEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716725 346677302 /nfs/dbraw/zinc/67/73/02/346677302.db2.gz LMJFGIZXGMRSAO-JKSUJKDBSA-N 2 0 293.455 2.143 20 30 CEEDRP C[C@@H]1C[C@H](C[N@@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771433 346686916 /nfs/dbraw/zinc/68/69/16/346686916.db2.gz FRYDTHAEMKDENS-HUUCEWRRSA-N 2 0 283.419 2.499 20 30 CEEDRP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000600770462 346687357 /nfs/dbraw/zinc/68/73/57/346687357.db2.gz ZUMCLBAFYWQLNZ-NSHDSACASA-N 2 0 255.321 2.461 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000602633171 347114274 /nfs/dbraw/zinc/11/42/74/347114274.db2.gz LMTBBOLIJCJCSY-HUUCEWRRSA-N 2 0 267.417 2.017 20 30 CEEDRP COc1c[nH+]ccc1N1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602644920 347120925 /nfs/dbraw/zinc/12/09/25/347120925.db2.gz PGWCDMKQACWVIH-CQSZACIVSA-N 2 0 288.395 2.152 20 30 CEEDRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000129627973 365881240 /nfs/dbraw/zinc/88/12/40/365881240.db2.gz WAVPJYSOWAWSAY-OAHLLOKOSA-N 2 0 280.460 2.011 20 30 CEEDRP C=CC[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701356 350550866 /nfs/dbraw/zinc/55/08/66/350550866.db2.gz JJHQFAJVGCOYNK-BJWYYQGGSA-N 2 0 278.440 2.143 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[NH3+])CC2)cc1 ZINC000332338422 283154007 /nfs/dbraw/zinc/15/40/07/283154007.db2.gz DIGGEYJAKMQNKG-QZTJIDSGSA-N 2 0 298.434 2.387 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000666855313 540509968 /nfs/dbraw/zinc/50/99/68/540509968.db2.gz LPEJZLOEOVUGBD-OAHLLOKOSA-N 2 0 290.407 2.361 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)s1 ZINC000150997680 366611068 /nfs/dbraw/zinc/61/10/68/366611068.db2.gz RDBMUFLGLYTUOD-GFCCVEGCSA-N 2 0 281.425 2.066 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)C1 ZINC000343618568 367919276 /nfs/dbraw/zinc/91/92/76/367919276.db2.gz TVSJUPURHVUKCT-YOEHRIQHSA-N 2 0 271.408 2.421 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000343572302 367891457 /nfs/dbraw/zinc/89/14/57/367891457.db2.gz MRHXJBNFIDSSQQ-IRXDYDNUSA-N 2 0 269.392 2.317 20 30 CEEDRP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181675064 368481378 /nfs/dbraw/zinc/48/13/78/368481378.db2.gz GZYBBELSWOIRAX-PBHICJAKSA-N 2 0 287.407 2.320 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186702418 369023576 /nfs/dbraw/zinc/02/35/76/369023576.db2.gz GNJMIIJEXUQCTL-GDBMZVCRSA-N 2 0 292.423 2.215 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353594750 370117946 /nfs/dbraw/zinc/11/79/46/370117946.db2.gz NNNXODHNJMPFSY-HHARLNAUSA-N 2 0 278.440 2.430 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000264104183 371970284 /nfs/dbraw/zinc/97/02/84/371970284.db2.gz NHRPMAOVHBWBNF-AWEZNQCLSA-N 2 0 294.830 2.229 20 30 CEEDRP C[C@H](C#N)CN(C)Cc1ccc(-n2ccnc2)cc1 ZINC000263680471 371946625 /nfs/dbraw/zinc/94/66/25/371946625.db2.gz IFXOJKOAICVPNJ-CYBMUJFWSA-N 2 0 254.337 2.464 20 30 CEEDRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1C#N ZINC000414800030 375984759 /nfs/dbraw/zinc/98/47/59/375984759.db2.gz KMOURRLGFBIRIL-HIFRSBDPSA-N 2 0 273.380 2.174 20 30 CEEDRP C=CC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420372655 376683716 /nfs/dbraw/zinc/68/37/16/376683716.db2.gz LQNZVEKULRDCST-AWEZNQCLSA-N 2 0 260.381 2.388 20 30 CEEDRP COc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)ccc1C#N ZINC000290434479 376777355 /nfs/dbraw/zinc/77/73/55/376777355.db2.gz LLKYBJLFUKLOAZ-XJKSGUPXSA-N 2 0 287.407 2.339 20 30 CEEDRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423216346 377131816 /nfs/dbraw/zinc/13/18/16/377131816.db2.gz RTRDTEJNUGSMMB-NWDGAFQWSA-N 2 0 261.344 2.348 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442861199 378009104 /nfs/dbraw/zinc/00/91/04/378009104.db2.gz DBBVLZNZJTXRRO-HUUCEWRRSA-N 2 0 267.461 2.203 20 30 CEEDRP CCCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCCC1 ZINC000304736330 379594932 /nfs/dbraw/zinc/59/49/32/379594932.db2.gz AARQSLFHVXDNAQ-UHFFFAOYSA-N 2 0 298.500 2.052 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1cc(C#N)cs1 ZINC000350348909 219010795 /nfs/dbraw/zinc/01/07/95/219010795.db2.gz BDDHHSBWTGKNNG-UHFFFAOYSA-N 2 0 281.425 2.068 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000332384418 394637337 /nfs/dbraw/zinc/63/73/37/394637337.db2.gz IOGMFKVCVWAPFD-NVXWUHKLSA-N 2 0 298.434 2.387 20 30 CEEDRP CNC(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270612165 394737053 /nfs/dbraw/zinc/73/70/53/394737053.db2.gz YKANMXOJYJHNHV-GWCFXTLKSA-N 2 0 298.793 2.006 20 30 CEEDRP CCCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000104155617 394718540 /nfs/dbraw/zinc/71/85/40/394718540.db2.gz RNGDANQNSGYIMB-OAHLLOKOSA-N 2 0 274.412 2.138 20 30 CEEDRP C=CCCC[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000359504566 394758729 /nfs/dbraw/zinc/75/87/29/394758729.db2.gz CNBFOZRESBRQCD-SJORKVTESA-N 2 0 279.472 2.443 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423377653 394907406 /nfs/dbraw/zinc/90/74/06/394907406.db2.gz VXLSBCXWVABRMR-OFQRWUPVSA-N 2 0 255.365 2.405 20 30 CEEDRP C=CC[N@H+](C)CCCN1CCN(c2ccccc2)CC1 ZINC000285364740 394956038 /nfs/dbraw/zinc/95/60/38/394956038.db2.gz QVEFRMGMQGFKFA-UHFFFAOYSA-N 2 0 273.424 2.317 20 30 CEEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339011644 394936697 /nfs/dbraw/zinc/93/66/97/394936697.db2.gz VUWZWBXIDIWZSI-JYJNAYRXSA-N 2 0 261.413 2.342 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523682 394944824 /nfs/dbraw/zinc/94/48/24/394944824.db2.gz YZPAJKLDYMWNJF-GMXVVIOVSA-N 2 0 261.344 2.475 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000286353673 395020911 /nfs/dbraw/zinc/02/09/11/395020911.db2.gz YWZFSJXPFWXCKO-CQSZACIVSA-N 2 0 278.396 2.333 20 30 CEEDRP C=CCCCCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000373277871 395057880 /nfs/dbraw/zinc/05/78/80/395057880.db2.gz JFPDDPBRGIRCPI-QGZVFWFLSA-N 2 0 279.472 2.445 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000289247076 395072373 /nfs/dbraw/zinc/07/23/73/395072373.db2.gz LMOWWLWCBIYCPX-HNNXBMFYSA-N 2 0 256.393 2.489 20 30 CEEDRP C=CCCC[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181703 395183570 /nfs/dbraw/zinc/18/35/70/395183570.db2.gz QKHFAAPTOYFAKU-HNNXBMFYSA-N 2 0 254.418 2.385 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353387395 395296000 /nfs/dbraw/zinc/29/60/00/395296000.db2.gz OLRJOYWIVDNCSW-QGZVFWFLSA-N 2 0 287.407 2.103 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651705149 401375153 /nfs/dbraw/zinc/37/51/53/401375153.db2.gz IYPFBVKUSJILEL-ZACQAIPSSA-N 2 0 279.472 2.204 20 30 CEEDRP N#Cc1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)s1 ZINC000176946431 165181564 /nfs/dbraw/zinc/18/15/64/165181564.db2.gz QVGOKYGBAWNAEW-UHFFFAOYSA-N 2 0 295.371 2.490 20 30 CEEDRP C=CCCC[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000653688128 415075013 /nfs/dbraw/zinc/07/50/13/415075013.db2.gz GNXZTUMLEDETSD-AWEZNQCLSA-N 2 0 252.402 2.138 20 30 CEEDRP C=C(CC)C[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000653689660 415076013 /nfs/dbraw/zinc/07/60/13/415076013.db2.gz IERLKQGLMWLVRH-CQSZACIVSA-N 2 0 252.402 2.138 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414825558 263055740 /nfs/dbraw/zinc/05/57/40/263055740.db2.gz COLCZHZLPACBIB-CQSZACIVSA-N 2 0 290.407 2.349 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1OC ZINC000415049154 263255633 /nfs/dbraw/zinc/25/56/33/263255633.db2.gz AQDRVOLVYVRELQ-ZDUSSCGKSA-N 2 0 278.396 2.477 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443983572 267144257 /nfs/dbraw/zinc/14/42/57/267144257.db2.gz DQCGWUISVQHWMY-KRWDZBQOSA-N 2 0 289.423 2.313 20 30 CEEDRP C=C(C)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371351532 267393760 /nfs/dbraw/zinc/39/37/60/267393760.db2.gz VBTKNBNIQPLXGX-UHFFFAOYSA-N 2 0 265.445 2.053 20 30 CEEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399915 274377944 /nfs/dbraw/zinc/37/79/44/274377944.db2.gz VALDELMZLDMRDY-RDTXWAMCSA-N 2 0 298.434 2.115 20 30 CEEDRP C[NH+](C)CCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353382001 276784231 /nfs/dbraw/zinc/78/42/31/276784231.db2.gz HHWQNGSEGDNAFY-INIZCTEOSA-N 2 0 257.381 2.477 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000378450704 329050650 /nfs/dbraw/zinc/05/06/50/329050650.db2.gz CNWUAIUDQQZABH-NXOAAHMSSA-N 2 0 291.439 2.158 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423094926 330169430 /nfs/dbraw/zinc/16/94/30/330169430.db2.gz KZZQYDWFEMGSOO-HMDCTGQHSA-N 2 0 278.440 2.478 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000423093304 330169476 /nfs/dbraw/zinc/16/94/76/330169476.db2.gz GYJDMWZTUYNRPT-BARDWOONSA-N 2 0 252.402 2.217 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CC1 ZINC000120167739 330385960 /nfs/dbraw/zinc/38/59/60/330385960.db2.gz XYHRNDRLDIQHCJ-WBVHZDCISA-N 2 0 279.472 2.347 20 30 CEEDRP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164660 332159209 /nfs/dbraw/zinc/15/92/09/332159209.db2.gz DHIFYVHZHDINLV-RBUKOAKNSA-N 2 0 299.462 2.367 20 30 CEEDRP N#CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000565599093 334578104 /nfs/dbraw/zinc/57/81/04/334578104.db2.gz JCPCOPACOGECCF-XYPWUTKMSA-N 2 0 255.365 2.125 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001020676089 622824660 /nfs/dbraw/zinc/82/46/60/622824660.db2.gz QZIOWQNCCPIUHA-BZUAXINKSA-N 2 0 293.455 2.062 20 30 CEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=[NH2+])Nc2ccccn2)C1 ZINC000170913497 627717431 /nfs/dbraw/zinc/71/74/31/627717431.db2.gz JOQLLXFMHLLCLM-OKILXGFUSA-N 2 0 289.427 2.176 20 30 CEEDRP C=CC[NH+]1CCC(N[C@@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925549026 628194246 /nfs/dbraw/zinc/19/42/46/628194246.db2.gz JYGJCJYIZJHPCJ-RHSMWYFYSA-N 2 0 273.424 2.315 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843691 628946165 /nfs/dbraw/zinc/94/61/65/628946165.db2.gz GXOFTYASIXHFHL-JKSUJKDBSA-N 2 0 267.461 2.252 20 30 CEEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000895096189 629890881 /nfs/dbraw/zinc/89/08/81/629890881.db2.gz MXPGJZQQTRHLPS-CGTJXYLNSA-N 2 0 292.467 2.393 20 30 CEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](C#N)CCC#N)C2)CC1 ZINC000799177567 630991570 /nfs/dbraw/zinc/99/15/70/630991570.db2.gz UXBZDIJSETZZMR-OAHLLOKOSA-N 2 0 274.412 2.238 20 30 CEEDRP CC[N@H+](CCNC(=[NH2+])Nc1cccc(C)c1)C(C)C ZINC000303968566 631095505 /nfs/dbraw/zinc/09/55/05/631095505.db2.gz AUVHBMMQNGDHIM-UHFFFAOYSA-N 2 0 262.401 2.452 20 30 CEEDRP C[N@@H+]1CCC[C@@]2(CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146807 632972109 /nfs/dbraw/zinc/97/21/09/632972109.db2.gz UBORSJGSZLCZML-QZTJIDSGSA-N 2 0 299.418 2.009 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000900657668 633794511 /nfs/dbraw/zinc/79/45/11/633794511.db2.gz AHCTZXDIVQJTKW-UHFFFAOYSA-N 2 0 295.471 2.267 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000903447303 635133119 /nfs/dbraw/zinc/13/31/19/635133119.db2.gz NUIGOJLCSTXBMJ-DZGCQCFKSA-N 2 0 257.381 2.344 20 30 CEEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903963997 635398018 /nfs/dbraw/zinc/39/80/18/635398018.db2.gz DAWYKVWDCXVUMI-HIFRSBDPSA-N 2 0 260.381 2.197 20 30 CEEDRP CC(C)(Cc1ccc(C#N)cc1)[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904388354 635597639 /nfs/dbraw/zinc/59/76/39/635597639.db2.gz HVFIBZZFWDJFPJ-GASCZTMLSA-N 2 0 257.381 2.206 20 30 CEEDRP C#C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000827555180 636351799 /nfs/dbraw/zinc/35/17/99/636351799.db2.gz PIRHICWJEMIXBG-SFHVURJKSA-N 2 0 299.418 2.068 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000876931332 650490456 /nfs/dbraw/zinc/49/04/56/650490456.db2.gz LTASWFKMNZGOCV-QGZVFWFLSA-N 2 0 279.472 2.186 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC1 ZINC000068041926 641371110 /nfs/dbraw/zinc/37/11/10/641371110.db2.gz CGYQLCHYVQXYRW-HNNXBMFYSA-N 2 0 278.444 2.098 20 30 CEEDRP C=CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849048950 642257166 /nfs/dbraw/zinc/25/71/66/642257166.db2.gz JMXJSUQLITUXGV-CQSZACIVSA-N 2 0 266.433 2.331 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000923413393 643702217 /nfs/dbraw/zinc/70/22/17/643702217.db2.gz FOHRZOCNYPOSNP-HIFRSBDPSA-N 2 0 254.418 2.010 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923515456 643747547 /nfs/dbraw/zinc/74/75/47/643747547.db2.gz HBMQLINHNBATEP-JKSUJKDBSA-N 2 0 269.392 2.216 20 30 CEEDRP CC[C@H](CC#N)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000762793614 645451969 /nfs/dbraw/zinc/45/19/69/645451969.db2.gz IKKANCOPGCMDDZ-MRXNPFEDSA-N 2 0 286.423 2.220 20 30 CEEDRP c1nncn1[NH+]=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000768350302 646112522 /nfs/dbraw/zinc/11/25/22/646112522.db2.gz CXATWXLASIGISJ-IYBDPMFKSA-N 2 0 281.363 2.309 20 30 CEEDRP C#CC[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000862445432 646463667 /nfs/dbraw/zinc/46/36/67/646463667.db2.gz TVHGYRMCRUKABB-HNNXBMFYSA-N 2 0 280.375 2.421 20 30 CEEDRP C[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])C[NH+](C)C ZINC000866363537 647756784 /nfs/dbraw/zinc/75/67/84/647756784.db2.gz JMORWJVYFABBFD-RYUDHWBXSA-N 2 0 261.369 2.112 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H]2CCC[C@H]21 ZINC000866617584 647844074 /nfs/dbraw/zinc/84/40/74/647844074.db2.gz LTTKQRLGZDCDJL-YDZRNGNQSA-N 2 0 295.430 2.488 20 30 CEEDRP C[C@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@H]1CCC[NH2+]1 ZINC000873238630 649605321 /nfs/dbraw/zinc/60/53/21/649605321.db2.gz CWMNHALTTZBREE-WMLDXEAASA-N 2 0 298.434 2.257 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290591 649628760 /nfs/dbraw/zinc/62/87/60/649628760.db2.gz ALXYBIMYWCCYJU-UONOGXRCSA-N 2 0 252.402 2.089 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000878746674 651178328 /nfs/dbraw/zinc/17/83/28/651178328.db2.gz BXCLZRPHJQTRBP-UHFFFAOYSA-N 2 0 282.347 2.259 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCCO1 ZINC000883180619 652391442 /nfs/dbraw/zinc/39/14/42/652391442.db2.gz GVWIXMWCKHCSGP-CABCVRRESA-N 2 0 254.418 2.432 20 30 CEEDRP C=CCC[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCCO1 ZINC000883180622 652391495 /nfs/dbraw/zinc/39/14/95/652391495.db2.gz GVWIXMWCKHCSGP-LSDHHAIUSA-N 2 0 254.418 2.432 20 30 CEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593726 805758638 /nfs/dbraw/zinc/75/86/38/805758638.db2.gz SWFYDLHZANVEAF-XHSDSOJGSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605183 806505178 /nfs/dbraw/zinc/50/51/78/806505178.db2.gz KHRMKJPXQYRDKS-OWCLPIDISA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088791829 806723542 /nfs/dbraw/zinc/72/35/42/806723542.db2.gz FRCONZQKDLIUHF-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266472518 802619739 /nfs/dbraw/zinc/61/97/39/802619739.db2.gz LJHNVPOGQOBUSS-INIZCTEOSA-N 2 0 295.471 2.075 20 30 CEEDRP C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001266852886 802942070 /nfs/dbraw/zinc/94/20/70/802942070.db2.gz ARQSRECJWCMHQD-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001266897265 802975751 /nfs/dbraw/zinc/97/57/51/802975751.db2.gz MBGYJKCENZWYSQ-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241632 803279963 /nfs/dbraw/zinc/27/99/63/803279963.db2.gz FGRSQSBGZGESRI-BZUAXINKSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001283631678 803529655 /nfs/dbraw/zinc/52/96/55/803529655.db2.gz WYEJYXBJMAHMFW-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267790189 803735411 /nfs/dbraw/zinc/73/54/11/803735411.db2.gz NSGNJCVXKBSYRZ-JKSUJKDBSA-N 2 0 295.471 2.216 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001268034877 804161630 /nfs/dbraw/zinc/16/16/30/804161630.db2.gz QTCMLEFFIIKNGJ-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028001903 804390567 /nfs/dbraw/zinc/39/05/67/804390567.db2.gz AKOMKQJWNRRMJX-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1CCCCC1 ZINC001268122788 804463613 /nfs/dbraw/zinc/46/36/13/804463613.db2.gz JBLUVFZAQAMOGX-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001268221164 804552136 /nfs/dbraw/zinc/55/21/36/804552136.db2.gz KGQNESUTLYYYQD-MRXNPFEDSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001268228838 804556333 /nfs/dbraw/zinc/55/63/33/804556333.db2.gz XNLZLJZXROXRIA-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+]CCN(CC)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268468908 804714163 /nfs/dbraw/zinc/71/41/63/804714163.db2.gz OONUIFGGUMNAFC-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001269287836 805114514 /nfs/dbraw/zinc/11/45/14/805114514.db2.gz NIUCVMFNIROROJ-JKSUJKDBSA-N 2 0 295.471 2.216 20 30 CEEDRP C#CC[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625146 815137288 /nfs/dbraw/zinc/13/72/88/815137288.db2.gz LZKPLWRMRCZQEC-MANSERQUSA-N 2 0 298.430 2.013 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001085217601 810697151 /nfs/dbraw/zinc/69/71/51/810697151.db2.gz ITQQSLNWKYJFTR-OAGGEKHMSA-N 2 0 293.455 2.064 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129362995 811764789 /nfs/dbraw/zinc/76/47/89/811764789.db2.gz DBTODKZZIDNRGD-UHFFFAOYSA-N 2 0 283.460 2.147 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584614 813293125 /nfs/dbraw/zinc/29/31/25/813293125.db2.gz VOYOGTUCAYKAIE-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082024 813362741 /nfs/dbraw/zinc/36/27/41/813362741.db2.gz WPFRZPAKNYJNBP-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135377855 813419709 /nfs/dbraw/zinc/41/97/09/813419709.db2.gz DXSMUNWACMVEDH-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135706469 813508251 /nfs/dbraw/zinc/50/82/51/813508251.db2.gz VBALVBIYTQFHCR-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170877317 813585770 /nfs/dbraw/zinc/58/57/70/813585770.db2.gz BCAMPVUPLDKSHD-HRCADAONSA-N 2 0 295.471 2.167 20 30 CEEDRP N#Cc1ccc(-c2ccccc2)nc1N[C@H]([NH3+])CCC[NH3+] ZINC001170894920 813627862 /nfs/dbraw/zinc/62/78/62/813627862.db2.gz PCWRQJHIHXSVNJ-HNNXBMFYSA-N 2 0 281.363 2.056 20 30 CEEDRP CCCCCCCC[C@H](CC)N[C@@H]1C[NH2+]C[C@H]1O ZINC001246101336 813691887 /nfs/dbraw/zinc/69/18/87/813691887.db2.gz OZMFSEZEHUJSAA-RRFJBIMHSA-N 2 0 256.434 2.438 20 30 CEEDRP C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099215623 813995594 /nfs/dbraw/zinc/99/55/94/813995594.db2.gz XKBILDROUIZJTL-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001100669162 814168392 /nfs/dbraw/zinc/16/83/92/814168392.db2.gz ONEOJMPEVYWJCN-UYSNPLJNSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537649 814295719 /nfs/dbraw/zinc/29/57/19/814295719.db2.gz ZDNDXIHYSYCXJN-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP CN(C)/C=[NH+]/c1ccc(NC[C@H]2CCCC[NH2+]2)cc1C#N ZINC001171335737 814603024 /nfs/dbraw/zinc/60/30/24/814603024.db2.gz SGRNLOVYGPXKQJ-RVZJCZPVSA-N 2 0 285.395 2.334 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115713379 814750364 /nfs/dbraw/zinc/75/03/64/814750364.db2.gz LUQDRIXZSAQESO-OAHLLOKOSA-N 2 0 295.471 2.167 20 30 CEEDRP CN(C)C1(C[NH2+]C2CCC(CC#N)CC2)CC[NH+](C)CC1 ZINC001173326307 815676246 /nfs/dbraw/zinc/67/62/46/815676246.db2.gz XBOSPEDUMRQWPL-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP CN(C)C1(C[NH2+]C2CCC(C)(C#N)CC2)CC[NH+](C)CC1 ZINC001173584946 815752304 /nfs/dbraw/zinc/75/23/04/815752304.db2.gz SSJRFVOOHADSMI-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175056902 816125732 /nfs/dbraw/zinc/12/57/32/816125732.db2.gz QJZJGNJXOBJGTK-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175056903 816125924 /nfs/dbraw/zinc/12/59/24/816125924.db2.gz QJZJGNJXOBJGTK-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262713 816164699 /nfs/dbraw/zinc/16/46/99/816164699.db2.gz KIKRMZHDIWEPGV-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024130 816326594 /nfs/dbraw/zinc/32/65/94/816326594.db2.gz LREDMIOVVVKTLL-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001176890229 816490688 /nfs/dbraw/zinc/49/06/88/816490688.db2.gz NNRDHORTZDCCAI-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176885047 816490707 /nfs/dbraw/zinc/49/07/07/816490707.db2.gz ZCEYDPFPPCXHCD-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001176999229 816506207 /nfs/dbraw/zinc/50/62/07/816506207.db2.gz RAUMEEZCTBNEJK-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001178468054 816750666 /nfs/dbraw/zinc/75/06/66/816750666.db2.gz NOWPGTKAMRMONK-INIZCTEOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001178816261 816803898 /nfs/dbraw/zinc/80/38/98/816803898.db2.gz ZJFVRWRGQANILG-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP CCCCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179486036 816866652 /nfs/dbraw/zinc/86/66/52/816866652.db2.gz FSRIPPLOEPNCSX-HOTGVXAUSA-N 2 0 297.487 2.488 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1C#N ZINC000601969820 346946392 /nfs/dbraw/zinc/94/63/92/346946392.db2.gz FOGCLYNJBRXDNN-OAHLLOKOSA-N 2 0 287.407 2.435 20 30 CEEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602003350 346955104 /nfs/dbraw/zinc/95/51/04/346955104.db2.gz UMCWOLVRHDYLMH-UHFFFAOYSA-N 2 0 261.344 2.129 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000066243792 343709968 /nfs/dbraw/zinc/70/99/68/343709968.db2.gz JOHUCJCSXJXOML-MRXNPFEDSA-N 2 0 286.423 2.131 20 30 CEEDRP CNC(=[NH2+])NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000076105956 343880159 /nfs/dbraw/zinc/88/01/59/343880159.db2.gz NRGPCHOUKYARHC-OKILXGFUSA-N 2 0 288.439 2.199 20 30 CEEDRP COCCC[NH+]1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602530979 347067517 /nfs/dbraw/zinc/06/75/17/347067517.db2.gz UDCYSGAPNOSGGC-UHFFFAOYSA-N 2 0 279.428 2.159 20 30 CEEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000401167644 344867118 /nfs/dbraw/zinc/86/71/18/344867118.db2.gz VRDQDLZYZQVTIN-HRCADAONSA-N 2 0 255.365 2.036 20 30 CEEDRP N#Cc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471349 345358406 /nfs/dbraw/zinc/35/84/06/345358406.db2.gz XZWRKJBNROOSGA-UHFFFAOYSA-N 2 0 255.365 2.275 20 30 CEEDRP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492193 345360018 /nfs/dbraw/zinc/36/00/18/345360018.db2.gz VOUXQIMSMVBRHM-CABCVRRESA-N 2 0 284.407 2.165 20 30 CEEDRP N#Cc1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000595348334 345766411 /nfs/dbraw/zinc/76/64/11/345766411.db2.gz RMYVXWMGOKYYAE-UHFFFAOYSA-N 2 0 292.386 2.318 20 30 CEEDRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@](C)(C#N)C1 ZINC000597232879 346156933 /nfs/dbraw/zinc/15/69/33/346156933.db2.gz XMUJISOSGQESHV-INIZCTEOSA-N 2 0 281.363 2.311 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000602981017 347264165 /nfs/dbraw/zinc/26/41/65/347264165.db2.gz YQSRXFBGXJMZOE-IAGOWNOFSA-N 2 0 292.471 2.027 20 30 CEEDRP C=CCOc1ccc(C[N@H+](C)CCOCC[NH3+])cc1Cl ZINC000629662421 351456420 /nfs/dbraw/zinc/45/64/20/351456420.db2.gz HXYQMWDVLMPIGI-UHFFFAOYSA-N 2 0 298.814 2.312 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133651436 366244035 /nfs/dbraw/zinc/24/40/35/366244035.db2.gz HHDAAYUFUAXDOP-CPUCHLNUSA-N 2 0 287.407 2.255 20 30 CEEDRP C=C(C)[C@H](CO)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000677477621 541018434 /nfs/dbraw/zinc/01/84/34/541018434.db2.gz ONHUZAFUWCSSGA-INIZCTEOSA-N 2 0 268.445 2.367 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCCSCC#N)CC[C@@H]21 ZINC000158748327 366860267 /nfs/dbraw/zinc/86/02/67/366860267.db2.gz RZCUEAOXLLILQV-KBPBESRZSA-N 2 0 267.442 2.049 20 30 CEEDRP C[C@@H]1CCC[C@@](CNC(=[NH2+])Nc2ccccn2)([NH+](C)C)C1 ZINC000170909610 367444553 /nfs/dbraw/zinc/44/45/53/367444553.db2.gz PMOSEMQESZZSQY-CZUORRHYSA-N 2 0 289.427 2.319 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592284 367903313 /nfs/dbraw/zinc/90/33/13/367903313.db2.gz HYRSDSXKDVUZJK-JKIFEVAISA-N 2 0 271.408 2.419 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353594748 370117913 /nfs/dbraw/zinc/11/79/13/370117913.db2.gz NNNXODHNJMPFSY-ALYAQQCSSA-N 2 0 278.440 2.430 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)ccc1C#N ZINC000234979144 370551789 /nfs/dbraw/zinc/55/17/89/370551789.db2.gz FBPREGFIHBSKAD-CYBMUJFWSA-N 2 0 273.380 2.128 20 30 CEEDRP C=C(CC)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000358500894 371093021 /nfs/dbraw/zinc/09/30/21/371093021.db2.gz RIDUYXCNVXIHOG-UHFFFAOYSA-N 2 0 266.429 2.387 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000264062013 371959460 /nfs/dbraw/zinc/95/94/60/371959460.db2.gz PSPZPMOYUBPNJW-AWEZNQCLSA-N 2 0 292.427 2.065 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCC[NH+]2CCCCC2)c1 ZINC000264116720 371971790 /nfs/dbraw/zinc/97/17/90/371971790.db2.gz PZHDPYSGUNMSGY-UHFFFAOYSA-N 2 0 274.412 2.462 20 30 CEEDRP C[N@@H+]1CCC[C@@]2(CCN(CCOc3ccccc3C#N)C2)C1 ZINC000292834815 377304736 /nfs/dbraw/zinc/30/47/36/377304736.db2.gz ASERGQNTPSKHAF-GOSISDBHSA-N 2 0 299.418 2.355 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000436303700 377823105 /nfs/dbraw/zinc/82/31/05/377823105.db2.gz CHFBSPITKHSOHE-ZBFHGGJFSA-N 2 0 266.429 2.432 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000266175959 190237509 /nfs/dbraw/zinc/23/75/09/190237509.db2.gz SWGORTCJVVEQMU-HOCLYGCPSA-N 2 0 272.392 2.271 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C#N)s1 ZINC000350258221 219003569 /nfs/dbraw/zinc/00/35/69/219003569.db2.gz BVQWQRGEJHKRLK-UHFFFAOYSA-N 2 0 281.425 2.068 20 30 CEEDRP CC1CCN(C(=[NH2+])NCC[N@H+](C)C2CCCCC2)CC1 ZINC000303252063 394479143 /nfs/dbraw/zinc/47/91/43/394479143.db2.gz AZGZBRSWRVOJOR-UHFFFAOYSA-N 2 0 280.460 2.298 20 30 CEEDRP CNC(NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)=[NH+]C ZINC000267466889 394680173 /nfs/dbraw/zinc/68/01/73/394680173.db2.gz WRYBMJFCPONKFE-CQSZACIVSA-N 2 0 288.439 2.445 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCc1cccc(C[N@@H+](C)CC)c1 ZINC000104178428 394718870 /nfs/dbraw/zinc/71/88/70/394718870.db2.gz GMXUIXYRKIWFNJ-UHFFFAOYSA-N 2 0 274.412 2.119 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362309840 394852685 /nfs/dbraw/zinc/85/26/85/394852685.db2.gz NYKBQXMUQWFGOI-BRWVUGGUSA-N 2 0 296.455 2.058 20 30 CEEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339011640 394936078 /nfs/dbraw/zinc/93/60/78/394936078.db2.gz VUWZWBXIDIWZSI-HRCADAONSA-N 2 0 261.413 2.342 20 30 CEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339202066 394950969 /nfs/dbraw/zinc/95/09/69/394950969.db2.gz GQXFZPPSPUSVBI-IAGOWNOFSA-N 2 0 292.471 2.028 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289647485 395082549 /nfs/dbraw/zinc/08/25/49/395082549.db2.gz GBCCAITUKPVGTN-TVFCKZIOSA-N 2 0 286.419 2.319 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000352901164 395274177 /nfs/dbraw/zinc/27/41/77/395274177.db2.gz LASJJNQERVQVMU-WMLDXEAASA-N 2 0 277.456 2.099 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000572344351 395585971 /nfs/dbraw/zinc/58/59/71/395585971.db2.gz VXCONXZFDYXXIA-WBVHZDCISA-N 2 0 278.440 2.432 20 30 CEEDRP COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1C#N ZINC000375934371 157163715 /nfs/dbraw/zinc/16/37/15/157163715.db2.gz VMUKJQVMLFDJEO-MRXNPFEDSA-N 2 0 287.407 2.483 20 30 CEEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040621524 174355183 /nfs/dbraw/zinc/35/51/83/174355183.db2.gz PIBAVHXMJLTVKM-INIZCTEOSA-N 2 0 257.381 2.378 20 30 CEEDRP C=C(C)CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660698021 414939666 /nfs/dbraw/zinc/93/96/66/414939666.db2.gz MITXGPVAQKNDLU-UHFFFAOYSA-N 2 0 254.418 2.025 20 30 CEEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657886199 415114147 /nfs/dbraw/zinc/11/41/47/415114147.db2.gz ILEMKQUPNNQBBT-LSDHHAIUSA-N 2 0 266.429 2.168 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252321 415714036 /nfs/dbraw/zinc/71/40/36/415714036.db2.gz PGQXWRLPNHDVNJ-INIZCTEOSA-N 2 0 272.392 2.196 20 30 CEEDRP C=CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)COC ZINC000662299415 415761774 /nfs/dbraw/zinc/76/17/74/415761774.db2.gz PHJANLTZALTPPW-HOCLYGCPSA-N 2 0 292.423 2.260 20 30 CEEDRP C=CC[C@]1(C(=O)Nc2cccc(C[NH2+]CC)c2)CCC[NH2+]1 ZINC000662398903 415824101 /nfs/dbraw/zinc/82/41/01/415824101.db2.gz KWPAEMOPWXGEBS-QGZVFWFLSA-N 2 0 287.407 2.433 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCCNC(=[NH2+])Nc1ccccn1 ZINC000170908200 261448645 /nfs/dbraw/zinc/44/86/45/261448645.db2.gz SUPJSSRVLKEPML-CYBMUJFWSA-N 2 0 275.400 2.073 20 30 CEEDRP CCC(CC)[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+](C)C ZINC000170910425 261449588 /nfs/dbraw/zinc/44/95/88/261449588.db2.gz RTWHTNAKHJFELG-ZDUSSCGKSA-N 2 0 277.416 2.175 20 30 CEEDRP C=C(C)CC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000364368292 262219609 /nfs/dbraw/zinc/21/96/09/262219609.db2.gz ZOAWAZHKRKZTQU-INIZCTEOSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128524453 264289650 /nfs/dbraw/zinc/28/96/50/264289650.db2.gz VANDWBIXYADVCO-MRXNPFEDSA-N 2 0 267.461 2.348 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000163589185 264357544 /nfs/dbraw/zinc/35/75/44/264357544.db2.gz OYMBSYWJEGATBT-GJZGRUSLSA-N 2 0 254.418 2.480 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336392806 277023229 /nfs/dbraw/zinc/02/32/29/277023229.db2.gz HCOVMFLFWVEZTL-QGZVFWFLSA-N 2 0 267.376 2.397 20 30 CEEDRP CCC[NH+]1CCN(C2CC[NH+](CCCCC#N)CC2)CC1 ZINC000369157033 328943580 /nfs/dbraw/zinc/94/35/80/328943580.db2.gz QTLHXMQJEWFRKA-UHFFFAOYSA-N 2 0 292.471 2.172 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCCC2)cc1Cl ZINC000263078650 330042405 /nfs/dbraw/zinc/04/24/05/330042405.db2.gz CWDBVVHLXNTUQN-UHFFFAOYSA-N 2 0 296.802 2.171 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422976144 330162223 /nfs/dbraw/zinc/16/22/23/330162223.db2.gz HTNKMHVOMHPHHP-HOTGVXAUSA-N 2 0 265.445 2.277 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422974520 330164646 /nfs/dbraw/zinc/16/46/46/330164646.db2.gz FAQAZVMXINGRRO-ZBFHGGJFSA-N 2 0 265.445 2.005 20 30 CEEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423046958 330166991 /nfs/dbraw/zinc/16/69/91/330166991.db2.gz FLPNYARBZKGTFX-QLFBSQMISA-N 2 0 252.402 2.089 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000120985308 330394157 /nfs/dbraw/zinc/39/41/57/330394157.db2.gz MXRDWENLZHRQNC-NVXWUHKLSA-N 2 0 279.472 2.204 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000121093453 330396152 /nfs/dbraw/zinc/39/61/52/330396152.db2.gz BJDRMAJRTVLULQ-DLBZAZTESA-N 2 0 280.456 2.414 20 30 CEEDRP N#C[C@@H]1CCC[C@@H]1[NH2+]C/C=C/C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459480887 331284093 /nfs/dbraw/zinc/28/40/93/331284093.db2.gz PTLPQFLTETVCLK-NTXWRNLQSA-N 2 0 272.396 2.106 20 30 CEEDRP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000491164661 332159338 /nfs/dbraw/zinc/15/93/38/332159338.db2.gz DHIFYVHZHDINLV-RTBURBONSA-N 2 0 299.462 2.367 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000231799188 333329955 /nfs/dbraw/zinc/32/99/55/333329955.db2.gz PUHGGABHSRXDEO-OWCLPIDISA-N 2 0 266.429 2.480 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552072252 334285926 /nfs/dbraw/zinc/28/59/26/334285926.db2.gz QXXCYQNEDRLTLP-MRXNPFEDSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1 ZINC000347071660 526897428 /nfs/dbraw/zinc/89/74/28/526897428.db2.gz QPNOGMWGHLXJFO-HNNXBMFYSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1 ZINC000347071661 526899693 /nfs/dbraw/zinc/89/96/93/526899693.db2.gz QPNOGMWGHLXJFO-OAHLLOKOSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000344773316 527199399 /nfs/dbraw/zinc/19/93/99/527199399.db2.gz ONYCLUCDWURLGG-IAGOWNOFSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947502997 613793396 /nfs/dbraw/zinc/79/33/96/613793396.db2.gz XTXFUGZLGIDGTR-ZFWWWQNUSA-N 2 0 298.390 2.103 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157363500 624973926 /nfs/dbraw/zinc/97/39/26/624973926.db2.gz UYRLPKHGPYZABB-KBPBESRZSA-N 2 0 268.449 2.057 20 30 CEEDRP CC(C)C[C@H](CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCC1 ZINC000170910308 627716770 /nfs/dbraw/zinc/71/67/70/627716770.db2.gz DFEJKQVDGYHWNN-CQSZACIVSA-N 2 0 289.427 2.319 20 30 CEEDRP C[NH+]1CCN(c2ccc(C=[NH+]OCC3CC3)cc2)CC1 ZINC000814243074 629214966 /nfs/dbraw/zinc/21/49/66/629214966.db2.gz DMYUMKXSNHAPFX-UHFFFAOYSA-N 2 0 273.380 2.199 20 30 CEEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895671970 630300881 /nfs/dbraw/zinc/30/08/81/630300881.db2.gz NJIRYVMNJLQKBY-MRXNPFEDSA-N 2 0 266.429 2.125 20 30 CEEDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000925273849 631525546 /nfs/dbraw/zinc/52/55/46/631525546.db2.gz IJUCSDBSZQZOTL-CQSZACIVSA-N 2 0 281.444 2.140 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000809735442 632134129 /nfs/dbraw/zinc/13/41/29/632134129.db2.gz GYPAPUSNHVZDCS-QGZVFWFLSA-N 2 0 256.393 2.488 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829776 632247143 /nfs/dbraw/zinc/24/71/43/632247143.db2.gz WKJPCGYSRDOLIB-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCO[NH+]=Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000812233486 632496355 /nfs/dbraw/zinc/49/63/55/632496355.db2.gz SHFUNHZRTRXVRU-UHFFFAOYSA-N 2 0 285.391 2.202 20 30 CEEDRP C=CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1ccncc1 ZINC000817893672 633756146 /nfs/dbraw/zinc/75/61/46/633756146.db2.gz GLPYOWJKWSYXLB-CABCVRRESA-N 2 0 263.385 2.042 20 30 CEEDRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817946493 633793737 /nfs/dbraw/zinc/79/37/37/633793737.db2.gz YEQPVSHHHCFFDD-KBPBESRZSA-N 2 0 273.380 2.239 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000817967036 633810153 /nfs/dbraw/zinc/81/01/53/633810153.db2.gz CYLQPAMNQQEWMP-AWEZNQCLSA-N 2 0 270.376 2.269 20 30 CEEDRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817968044 633811957 /nfs/dbraw/zinc/81/19/57/633811957.db2.gz NSEOSFNQXDYAOT-CYBMUJFWSA-N 2 0 271.364 2.159 20 30 CEEDRP C=CCCCCC[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000817982973 633826987 /nfs/dbraw/zinc/82/69/87/633826987.db2.gz XCRIWCUAKADZEC-GJZGRUSLSA-N 2 0 254.418 2.480 20 30 CEEDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000819134763 634079384 /nfs/dbraw/zinc/07/93/84/634079384.db2.gz MTWXSEKSSHLJOC-GVDBMIGSSA-N 2 0 287.407 2.054 20 30 CEEDRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000903781262 635267570 /nfs/dbraw/zinc/26/75/70/635267570.db2.gz PDSLYLMTNWXXBY-LSDHHAIUSA-N 2 0 261.413 2.392 20 30 CEEDRP C=CCC1([NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCC1 ZINC000903932510 635358524 /nfs/dbraw/zinc/35/85/24/635358524.db2.gz CYPGBNRUMBSTQB-OAHLLOKOSA-N 2 0 290.455 2.324 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000912015086 638523127 /nfs/dbraw/zinc/52/31/27/638523127.db2.gz UKMCZHSUEQVTEV-CQSZACIVSA-N 2 0 281.444 2.051 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993669352 640665797 /nfs/dbraw/zinc/66/57/97/640665797.db2.gz AQFQJOSYGKXRCH-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C#C[C@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847020656 641525090 /nfs/dbraw/zinc/52/50/90/641525090.db2.gz CYGFUOUZQLJYNX-FBLDJFESSA-N 2 0 270.420 2.233 20 30 CEEDRP N#Cc1sccc1N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000852754996 643537213 /nfs/dbraw/zinc/53/72/13/643537213.db2.gz SHKTXVKMBWYISB-UHFFFAOYSA-N 2 0 292.452 2.261 20 30 CEEDRP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494045 643738686 /nfs/dbraw/zinc/73/86/86/643738686.db2.gz KEYVPOZJJFVHGQ-CJNGLKHVSA-N 2 0 257.381 2.017 20 30 CEEDRP C#CCC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000766978636 645943353 /nfs/dbraw/zinc/94/33/53/645943353.db2.gz VWEAJQHILDAXIT-UHFFFAOYSA-N 2 0 266.429 2.080 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC[NH2+]C1 ZINC000866698225 647872627 /nfs/dbraw/zinc/87/26/27/647872627.db2.gz PRRFTWABQSNSQS-MRXNPFEDSA-N 2 0 257.381 2.032 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000873292146 649629704 /nfs/dbraw/zinc/62/97/04/649629704.db2.gz OMMXDHBGFUTMDT-PBHICJAKSA-N 2 0 299.418 2.368 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](CCCSCC#N)CC2 ZINC000879248117 651270217 /nfs/dbraw/zinc/27/02/17/651270217.db2.gz MWLHOWOWLJDMTK-UHFFFAOYSA-N 2 0 281.469 2.441 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000883433837 652468267 /nfs/dbraw/zinc/46/82/67/652468267.db2.gz ZYOACOLXBGMFEC-CFVMTHIKSA-N 2 0 252.402 2.169 20 30 CEEDRP C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001266852885 802942338 /nfs/dbraw/zinc/94/23/38/802942338.db2.gz ARQSRECJWCMHQD-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267241631 803280338 /nfs/dbraw/zinc/28/03/38/803280338.db2.gz FGRSQSBGZGESRI-ARFHVFGLSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[C@H]1[NH2+]CCC[C@H]1OCCC[C@@H]1CCC[NH2+]C1 ZINC001217927464 803508036 /nfs/dbraw/zinc/50/80/36/803508036.db2.gz SGMOWSKNTUYLJK-ARFHVFGLSA-N 2 0 266.429 2.480 20 30 CEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001284220089 804907467 /nfs/dbraw/zinc/90/74/67/804907467.db2.gz NCYLNEZHCKOHOX-GJZGRUSLSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1CC ZINC001269182963 805072723 /nfs/dbraw/zinc/07/27/23/805072723.db2.gz RCUOTOFUVPRLBX-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001122296997 807641928 /nfs/dbraw/zinc/64/19/28/807641928.db2.gz WFPSMUOLWPFEPO-CABCVRRESA-N 2 0 283.460 2.262 20 30 CEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034129882 809526147 /nfs/dbraw/zinc/52/61/47/809526147.db2.gz FFZDCNHPZFRJAL-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172112896 815300702 /nfs/dbraw/zinc/30/07/02/815300702.db2.gz CTHDBIQZWDQSEU-NXOAAHMSSA-N 2 0 277.456 2.242 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034672563 809657788 /nfs/dbraw/zinc/65/77/88/809657788.db2.gz NOLRJMROCBTVSS-JYJNAYRXSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001034681323 809661287 /nfs/dbraw/zinc/66/12/87/809661287.db2.gz TUYLKTNGEDIDNL-SHTZXODSSA-N 2 0 298.390 2.151 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015115275 810260128 /nfs/dbraw/zinc/26/01/28/810260128.db2.gz UXIZTTOUPPYHQJ-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP COCCCN1CCC([N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001172255927 815361428 /nfs/dbraw/zinc/36/14/28/815361428.db2.gz OPVQBSSKZNSNQG-OAHLLOKOSA-N 2 0 279.428 2.113 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001172310489 815365163 /nfs/dbraw/zinc/36/51/63/815365163.db2.gz FXEILAZGVZXYAJ-BMGDILEWSA-N 2 0 283.419 2.373 20 30 CEEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2ccccn2)CC1 ZINC001172488702 815450808 /nfs/dbraw/zinc/45/08/08/815450808.db2.gz VTXPUXXJQYQPPB-HNNXBMFYSA-N 2 0 286.423 2.500 20 30 CEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001109709146 811931900 /nfs/dbraw/zinc/93/19/00/811931900.db2.gz FEKBJDIBFABWOO-QXSJWSMHSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCCCC[NH+]1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001113499403 812263099 /nfs/dbraw/zinc/26/30/99/812263099.db2.gz XRTOYGXLTUWZMJ-UHFFFAOYSA-N 2 0 295.471 2.219 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780543 813325545 /nfs/dbraw/zinc/32/55/45/813325545.db2.gz KZGKOSBXCCBGOG-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135440771 813438975 /nfs/dbraw/zinc/43/89/75/813438975.db2.gz QAKBTCSSJXNJPD-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC001135691717 813504729 /nfs/dbraw/zinc/50/47/29/813504729.db2.gz YWPYZSOSNOROAJ-JKSUJKDBSA-N 2 0 295.471 2.005 20 30 CEEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000399068471 813694968 /nfs/dbraw/zinc/69/49/68/813694968.db2.gz NCUFJFPEOAOQJE-UHFFFAOYSA-N 2 0 257.381 2.184 20 30 CEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681253 814170222 /nfs/dbraw/zinc/17/02/22/814170222.db2.gz DJFXKYBGPODWLL-UHFFFAOYSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247520 814223485 /nfs/dbraw/zinc/22/34/85/814223485.db2.gz LLWUWZUYZINGRP-HOCLYGCPSA-N 2 0 295.471 2.167 20 30 CEEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H](N)[C@H](C(=O)OC)C1 ZINC001246929548 814430175 /nfs/dbraw/zinc/43/01/75/814430175.db2.gz FVFBUPRWSPLSSZ-MJBXVCDLSA-N 2 0 270.417 2.168 20 30 CEEDRP C[N@@H+]1CC[C@]2(CC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173597713 815756536 /nfs/dbraw/zinc/75/65/36/815756536.db2.gz GVUMVJYLDLRKDM-GPANFISMSA-N 2 0 261.413 2.486 20 30 CEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001175218941 816155629 /nfs/dbraw/zinc/15/56/29/816155629.db2.gz XXVQZFRXRMBODB-JKSUJKDBSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176739820 816464345 /nfs/dbraw/zinc/46/43/45/816464345.db2.gz ZYEYJPJQSMHNFC-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176948238 816499255 /nfs/dbraw/zinc/49/92/55/816499255.db2.gz LXQMMXCLGQJKNJ-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP C=CCn1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cn1 ZINC001206311863 816662067 /nfs/dbraw/zinc/66/20/67/816662067.db2.gz WDOAHNBGXIIYFB-OAHLLOKOSA-N 2 0 262.401 2.020 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178705315 816787423 /nfs/dbraw/zinc/78/74/23/816787423.db2.gz LYCUDJMNWWMYGC-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902189 816812665 /nfs/dbraw/zinc/81/26/65/816812665.db2.gz DYELFNPJTRMOHW-HOCLYGCPSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179434954 816861492 /nfs/dbraw/zinc/86/14/92/816861492.db2.gz GCCMJLXUODEMFU-PMPSAXMXSA-N 2 0 295.471 2.262 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000079917697 343993949 /nfs/dbraw/zinc/99/39/49/343993949.db2.gz JTHOWASJVRMCEV-INIZCTEOSA-N 2 0 288.439 2.008 20 30 CEEDRP C=CCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCOCC1 ZINC000668552439 539196702 /nfs/dbraw/zinc/19/67/02/539196702.db2.gz MGEHPAXJEFICQW-GJZGRUSLSA-N 2 0 264.413 2.328 20 30 CEEDRP C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000090107541 344137238 /nfs/dbraw/zinc/13/72/38/344137238.db2.gz JUKQAWODEOWKRF-CQSZACIVSA-N 2 0 287.407 2.257 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)c1 ZINC000592470970 345358418 /nfs/dbraw/zinc/35/84/18/345358418.db2.gz PXTAJIAXPDLWDW-BPLDGKMQSA-N 2 0 273.355 2.175 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593730199 345528673 /nfs/dbraw/zinc/52/86/73/345528673.db2.gz LPHUPMKAYWMLJI-RCCFBDPRSA-N 2 0 299.418 2.419 20 30 CEEDRP CC[NH2+]Cc1ccccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594424383 345625070 /nfs/dbraw/zinc/62/50/70/345625070.db2.gz CKXKXLZGJOZKQY-CQSZACIVSA-N 2 0 288.395 2.146 20 30 CEEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595103655 345742897 /nfs/dbraw/zinc/74/28/97/345742897.db2.gz NMVCNFFCTVBQSG-JKSUJKDBSA-N 2 0 261.413 2.390 20 30 CEEDRP N#CCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000594935005 345708098 /nfs/dbraw/zinc/70/80/98/345708098.db2.gz AWITUCLMKHPXJT-UHFFFAOYSA-N 2 0 267.336 2.051 20 30 CEEDRP N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000594959561 345717230 /nfs/dbraw/zinc/71/72/30/345717230.db2.gz SPTVGXGPCGFVIT-KBPBESRZSA-N 2 0 281.363 2.439 20 30 CEEDRP C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000595055593 345735483 /nfs/dbraw/zinc/73/54/83/345735483.db2.gz GXNMHUAODCRQAA-CZUORRHYSA-N 2 0 257.381 2.173 20 30 CEEDRP C[C@@H]1C[C@@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595891115 345908123 /nfs/dbraw/zinc/90/81/23/345908123.db2.gz ALTMNOVBUFPBQG-CKEIUWERSA-N 2 0 271.408 2.406 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000595895203 345908700 /nfs/dbraw/zinc/90/87/00/345908700.db2.gz FQMBVVQFJPEGOF-INIZCTEOSA-N 2 0 257.381 2.162 20 30 CEEDRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000598994526 346443529 /nfs/dbraw/zinc/44/35/29/346443529.db2.gz PQSSYEKYXGFMAN-MRXNPFEDSA-N 2 0 257.381 2.380 20 30 CEEDRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602644919 347121202 /nfs/dbraw/zinc/12/12/02/347121202.db2.gz PGWCDMKQACWVIH-AWEZNQCLSA-N 2 0 288.395 2.152 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000602687111 347147107 /nfs/dbraw/zinc/14/71/07/347147107.db2.gz ILARXYQSRAJLLQ-HOTGVXAUSA-N 2 0 293.455 2.407 20 30 CEEDRP N#C[C@H]1CC[C@@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848381 347223643 /nfs/dbraw/zinc/22/36/43/347223643.db2.gz MPUORDGVBGDGGE-GOEBONIOSA-N 2 0 270.380 2.286 20 30 CEEDRP COc1ccc(CN(C)CCC[NH+]2CCCC2)cc1C#N ZINC000337284937 366125163 /nfs/dbraw/zinc/12/51/63/366125163.db2.gz ZJSJCTCWLVSASA-UHFFFAOYSA-N 2 0 287.407 2.485 20 30 CEEDRP C[N@H+](CCOc1cccc(C#N)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842190 365181554 /nfs/dbraw/zinc/18/15/54/365181554.db2.gz YHFPFXQERJYANR-MRXNPFEDSA-N 2 0 287.407 2.211 20 30 CEEDRP CN1CCC([NH2+]CCSCc2ccccc2C#N)CC1 ZINC000170670617 367396342 /nfs/dbraw/zinc/39/63/42/367396342.db2.gz YWUNKPQUHFYQSU-UHFFFAOYSA-N 2 0 289.448 2.475 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180548754 368386689 /nfs/dbraw/zinc/38/66/89/368386689.db2.gz QPPBFCYCAHOIJZ-RHSMWYFYSA-N 2 0 287.407 2.409 20 30 CEEDRP C=CCc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636918 368745648 /nfs/dbraw/zinc/74/56/48/368745648.db2.gz IFOPCEMGQOEHHA-IUODEOHRSA-N 2 0 290.407 2.298 20 30 CEEDRP Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1C#N ZINC000189579047 369541921 /nfs/dbraw/zinc/54/19/21/369541921.db2.gz HLIJTVYKBACUNG-UHFFFAOYSA-N 2 0 274.412 2.296 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000192839393 369860516 /nfs/dbraw/zinc/86/05/16/369860516.db2.gz HNXMEFGGOCQZGU-ZDUSSCGKSA-N 2 0 262.401 2.111 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000248169077 371167311 /nfs/dbraw/zinc/16/73/11/371167311.db2.gz UJXJPQWECWHXIS-ZMSDIMECSA-N 2 0 279.472 2.345 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c1 ZINC000261680775 371699846 /nfs/dbraw/zinc/69/98/46/371699846.db2.gz GYYUKAKQLUWUNA-MRXNPFEDSA-N 2 0 260.381 2.422 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000261879633 371759282 /nfs/dbraw/zinc/75/92/82/371759282.db2.gz QSGNHNHXSMUVAY-ZDUSSCGKSA-N 2 0 298.500 2.051 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCC[NH+](CC)CC)c1 ZINC000264085710 371967113 /nfs/dbraw/zinc/96/71/13/371967113.db2.gz JQFVAKOPXPKCAO-UHFFFAOYSA-N 2 0 262.401 2.317 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2C)cc1C ZINC000264131967 371975587 /nfs/dbraw/zinc/97/55/87/371975587.db2.gz YFNAOFOQTXSWOQ-CQSZACIVSA-N 2 0 260.385 2.124 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCCCCC2)cc1 ZINC000264130717 371975627 /nfs/dbraw/zinc/97/56/27/371975627.db2.gz XYVWJCOSPQJNRG-UHFFFAOYSA-N 2 0 290.411 2.298 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353387393 220056675 /nfs/dbraw/zinc/05/66/75/220056675.db2.gz OLRJOYWIVDNCSW-KRWDZBQOSA-N 2 0 287.407 2.103 20 30 CEEDRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(C#N)c2)CCCO1 ZINC000277661462 374599964 /nfs/dbraw/zinc/59/99/64/374599964.db2.gz FLXIRGXEQQKEEM-OAHLLOKOSA-N 2 0 287.407 2.149 20 30 CEEDRP CN1CC[NH+](CC2(C)CC[NH+](CCCCC#N)CC2)CC1 ZINC000375235139 374646275 /nfs/dbraw/zinc/64/62/75/374646275.db2.gz WTULOAULTTWCEK-UHFFFAOYSA-N 2 0 292.471 2.030 20 30 CEEDRP COc1cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)ccc1C#N ZINC000290434473 376776895 /nfs/dbraw/zinc/77/68/95/376776895.db2.gz LLKYBJLFUKLOAZ-CJNGLKHVSA-N 2 0 287.407 2.339 20 30 CEEDRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1C#N ZINC000423119269 377015678 /nfs/dbraw/zinc/01/56/78/377015678.db2.gz BYURXJIBKVBWHE-DOMZBBRYSA-N 2 0 273.380 2.045 20 30 CEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000436303698 377822937 /nfs/dbraw/zinc/82/29/37/377822937.db2.gz CHFBSPITKHSOHE-GOEBONIOSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CCC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000305065214 379617935 /nfs/dbraw/zinc/61/79/35/379617935.db2.gz HOZQVSATIRBTMW-GJZGRUSLSA-N 2 0 254.418 2.120 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000333864120 380166557 /nfs/dbraw/zinc/16/65/57/380166557.db2.gz QQIIYWOACDIDJS-ZWKOTPCHSA-N 2 0 299.418 2.277 20 30 CEEDRP CCCNC(=[NH2+])NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303866010 394480159 /nfs/dbraw/zinc/48/01/59/394480159.db2.gz CCRFQAGYGWUPFR-CYBMUJFWSA-N 2 0 294.468 2.274 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000423389729 394911789 /nfs/dbraw/zinc/91/17/89/394911789.db2.gz JOWJADRULFTOJI-ZETOZRRWSA-N 2 0 261.344 2.346 20 30 CEEDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000423406660 394915991 /nfs/dbraw/zinc/91/59/91/394915991.db2.gz UYGPSMQJGODLGS-HFBAOOFYSA-N 2 0 255.365 2.133 20 30 CEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339202070 394950363 /nfs/dbraw/zinc/95/03/63/394950363.db2.gz GQXFZPPSPUSVBI-IRXDYDNUSA-N 2 0 292.471 2.028 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000289328635 395074494 /nfs/dbraw/zinc/07/44/94/395074494.db2.gz UPZGCRFAUDGRNP-LJQANCHMSA-N 2 0 299.462 2.030 20 30 CEEDRP C#Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000289911261 395090484 /nfs/dbraw/zinc/09/04/84/395090484.db2.gz XYJKYGZMCPXMMK-IBGZPJMESA-N 2 0 298.430 2.212 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372353662 395040356 /nfs/dbraw/zinc/04/03/56/395040356.db2.gz HCNGMSXTRWYGON-ARFHVFGLSA-N 2 0 266.429 2.432 20 30 CEEDRP CC#CCN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000293121354 395219460 /nfs/dbraw/zinc/21/94/60/395219460.db2.gz MHQMBRLJKRPZHG-SFHVURJKSA-N 2 0 286.419 2.233 20 30 CEEDRP C=CCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000568107494 395549339 /nfs/dbraw/zinc/54/93/39/395549339.db2.gz OTGQUEPLZFIWQQ-BZUAXINKSA-N 2 0 266.429 2.480 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000651794292 401393312 /nfs/dbraw/zinc/39/33/12/401393312.db2.gz PZDUBDUDFZYTCD-HZPDHXFCSA-N 2 0 279.472 2.347 20 30 CEEDRP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)cc1C#N ZINC000190698779 153141997 /nfs/dbraw/zinc/14/19/97/153141997.db2.gz BWYQMFSSDVRSSA-UHFFFAOYSA-N 2 0 282.391 2.248 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657873305 415111250 /nfs/dbraw/zinc/11/12/50/415111250.db2.gz SEKSFFNLRRZGSD-GVDBMIGSSA-N 2 0 279.472 2.347 20 30 CEEDRP Cc1ccc([C@H](CNC2=[NH+]CCN2C)[NH+]2CCCC2)cc1 ZINC000262673955 262782221 /nfs/dbraw/zinc/78/22/21/262782221.db2.gz SIGYSQXUTVVWPU-INIZCTEOSA-N 2 0 286.423 2.023 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+](C)C)cc1C ZINC000292008891 263127135 /nfs/dbraw/zinc/12/71/35/263127135.db2.gz YLRDBIVTGOTKNL-NSHDSACASA-N 2 0 262.401 2.228 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415042607 263257363 /nfs/dbraw/zinc/25/73/63/263257363.db2.gz RCWHHPXJOJBJKQ-DZGCQCFKSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000128544907 264290521 /nfs/dbraw/zinc/29/05/21/264290521.db2.gz QKQPZKAQZAEKIF-HNNXBMFYSA-N 2 0 254.418 2.120 20 30 CEEDRP C[N@H+](C[C@H]1CC12CC[NH+](CCCC#N)CC2)C1CC1 ZINC000362617607 267024802 /nfs/dbraw/zinc/02/48/02/267024802.db2.gz RVNNPRALWQGGOT-CQSZACIVSA-N 2 0 261.413 2.486 20 30 CEEDRP N#CCSCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369838504 267271687 /nfs/dbraw/zinc/27/16/87/267271687.db2.gz WEBXMILKFOUAOG-QLFBSQMISA-N 2 0 279.453 2.049 20 30 CEEDRP CC[N@H+](C)C[C@H]1CCN(Cc2cc(C#N)ccc2OC)C1 ZINC000154532465 289148234 /nfs/dbraw/zinc/14/82/34/289148234.db2.gz WCXUNJMREGMWLO-OAHLLOKOSA-N 2 0 287.407 2.340 20 30 CEEDRP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000567902051 313918082 /nfs/dbraw/zinc/91/80/82/313918082.db2.gz AOKYEAHPPRHCKC-JKSUJKDBSA-N 2 0 255.365 2.036 20 30 CEEDRP C[C@H](CC[NH+]=C(N(C)C)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000266997082 328171249 /nfs/dbraw/zinc/17/12/49/328171249.db2.gz YBQMDKNATQJWID-OAHLLOKOSA-N 2 0 290.455 2.376 20 30 CEEDRP CC[N@H+](CCNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000288666543 328253360 /nfs/dbraw/zinc/25/33/60/328253360.db2.gz HDZAMRSCSAISHH-UHFFFAOYSA-N 2 0 282.338 2.176 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)CC1 ZINC000378450705 329050655 /nfs/dbraw/zinc/05/06/55/329050655.db2.gz CNWUAIUDQQZABH-TWMKSMIVSA-N 2 0 291.439 2.158 20 30 CEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000572344349 329987538 /nfs/dbraw/zinc/98/75/38/329987538.db2.gz VXCONXZFDYXXIA-NVXWUHKLSA-N 2 0 278.440 2.432 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262678260 330026314 /nfs/dbraw/zinc/02/63/14/330026314.db2.gz RYRUOUYOLKICTK-TZMCWYRMSA-N 2 0 292.452 2.221 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262678257 330026372 /nfs/dbraw/zinc/02/63/72/330026372.db2.gz RYRUOUYOLKICTK-OCCSQVGLSA-N 2 0 292.452 2.221 20 30 CEEDRP C[NH+](C)C1(CNC(=[NH2+])NCC2CCC2)CCCCCC1 ZINC000263276425 330051404 /nfs/dbraw/zinc/05/14/04/330051404.db2.gz YMZZIQYHZVAMHX-UHFFFAOYSA-N 2 0 280.460 2.345 20 30 CEEDRP C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422827662 330156588 /nfs/dbraw/zinc/15/65/88/330156588.db2.gz DYZZHTJQAUFMGW-YESZJQIVSA-N 2 0 279.472 2.402 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422974123 330164717 /nfs/dbraw/zinc/16/47/17/330164717.db2.gz DFFOZHVAFNATFZ-CQSZACIVSA-N 2 0 253.434 2.134 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392796 330200641 /nfs/dbraw/zinc/20/06/41/330200641.db2.gz QNUCGEZDGLZXOO-OLZOCXBDSA-N 2 0 293.377 2.157 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000424374032 330348250 /nfs/dbraw/zinc/34/82/50/330348250.db2.gz IOQOXJQOEVVFCR-NNXHMXCWSA-N 2 0 278.440 2.478 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000121540042 330402967 /nfs/dbraw/zinc/40/29/67/330402967.db2.gz QQCWSVMCPOLXNC-QGZVFWFLSA-N 2 0 279.472 2.347 20 30 CEEDRP N#C[C@@H]1CCC[C@H]1[NH2+]C/C=C\C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459480888 331284040 /nfs/dbraw/zinc/28/40/40/331284040.db2.gz PTLPQFLTETVCLK-UKTXIIABSA-N 2 0 272.396 2.106 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891612020 623826066 /nfs/dbraw/zinc/82/60/66/623826066.db2.gz HUVRIGOQTWWRRK-UHFFFAOYSA-N 2 0 263.410 2.393 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384498 634627892 /nfs/dbraw/zinc/62/78/92/634627892.db2.gz SJJYTNMDXTVACZ-KKUMJFAQSA-N 2 0 266.429 2.335 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384599 634628363 /nfs/dbraw/zinc/62/83/63/634628363.db2.gz SJJYTNMDXTVACZ-ZNMIVQPWSA-N 2 0 266.429 2.335 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C#N ZINC000925837323 628935235 /nfs/dbraw/zinc/93/52/35/628935235.db2.gz GAYOBTSDFSAYKA-HYVNUMGLSA-N 2 0 269.392 2.344 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925876095 628975789 /nfs/dbraw/zinc/97/57/89/628975789.db2.gz QWXRDDWSBOTHQW-LZWOXQAQSA-N 2 0 272.392 2.477 20 30 CEEDRP CCCC[N@@H+]1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000303868748 629666140 /nfs/dbraw/zinc/66/61/40/629666140.db2.gz DMVCBPIGHDSLAQ-AWEZNQCLSA-N 2 0 268.449 2.120 20 30 CEEDRP CC#CC[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000897166018 630968555 /nfs/dbraw/zinc/96/85/55/630968555.db2.gz HGAYYJSAAKKDOM-UHFFFAOYSA-N 2 0 260.381 2.082 20 30 CEEDRP CCCCNC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000303908924 631093686 /nfs/dbraw/zinc/09/36/86/631093686.db2.gz XYHHAYHHNLSDPY-UHFFFAOYSA-N 2 0 268.449 2.345 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986462086 631244286 /nfs/dbraw/zinc/24/42/86/631244286.db2.gz HXTMRFOXKARBDO-BBRMVZONSA-N 2 0 298.390 2.021 20 30 CEEDRP C#Cc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000809545600 632096801 /nfs/dbraw/zinc/09/68/01/632096801.db2.gz OBDBPRULPUEWKG-UHFFFAOYSA-N 2 0 256.393 2.442 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917398 633775823 /nfs/dbraw/zinc/77/58/23/633775823.db2.gz FMYUHGQHVXYZKE-XJKSGUPXSA-N 2 0 273.380 2.067 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000817942038 633790159 /nfs/dbraw/zinc/79/01/59/633790159.db2.gz WCMCAKKJSPEWGT-AWEZNQCLSA-N 2 0 272.392 2.349 20 30 CEEDRP C[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000819101819 634068836 /nfs/dbraw/zinc/06/88/36/634068836.db2.gz FICAPBKALNGDFO-BBRMVZONSA-N 2 0 289.423 2.158 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](CC(C)C)C1CCOCC1 ZINC000902999667 634931846 /nfs/dbraw/zinc/93/18/46/634931846.db2.gz DHXZLXMTTRQPEG-KRWDZBQOSA-N 2 0 280.456 2.372 20 30 CEEDRP C=CCCC[N@@H+](CC)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849254 635303427 /nfs/dbraw/zinc/30/34/27/635303427.db2.gz BOSMBPZVUKTLDV-HNNXBMFYSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CCCC[N@@H+](CC)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000903850347 635303817 /nfs/dbraw/zinc/30/38/17/635303817.db2.gz OSQDUXCYQFIWAI-IRXDYDNUSA-N 2 0 276.424 2.205 20 30 CEEDRP C#C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000825878399 635725332 /nfs/dbraw/zinc/72/53/32/635725332.db2.gz MNZBEUOWDJUACX-OAHLLOKOSA-N 2 0 254.337 2.015 20 30 CEEDRP CC(C)O[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000835003402 638013903 /nfs/dbraw/zinc/01/39/03/638013903.db2.gz SQHVXFVMNDIJEK-UHFFFAOYSA-N 2 0 261.369 2.197 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000911682433 638354066 /nfs/dbraw/zinc/35/40/66/638354066.db2.gz NBPONMYQHPUKII-HNNXBMFYSA-N 2 0 275.396 2.418 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911857184 638446324 /nfs/dbraw/zinc/44/63/24/638446324.db2.gz UKBPUCDQJGHKDT-SWLSCSKDSA-N 2 0 275.396 2.006 20 30 CEEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505351 638712012 /nfs/dbraw/zinc/71/20/12/638712012.db2.gz CFKRQLSSCQAOGR-OAHLLOKOSA-N 2 0 294.487 2.460 20 30 CEEDRP CCC[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912509670 638714263 /nfs/dbraw/zinc/71/42/63/638714263.db2.gz OGJCUJQHSAXNFF-AWEZNQCLSA-N 2 0 282.476 2.460 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@@H]1CC[NH+](C)C ZINC000912649300 638753482 /nfs/dbraw/zinc/75/34/82/638753482.db2.gz SAXFVZGBSWGPDY-HZPDHXFCSA-N 2 0 295.471 2.216 20 30 CEEDRP CCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157394765 639487450 /nfs/dbraw/zinc/48/74/50/639487450.db2.gz OOKANUJBKGDSQW-AWEZNQCLSA-N 2 0 268.449 2.059 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(CNCCC[NH+](C)C)cc1 ZINC000237610284 641362325 /nfs/dbraw/zinc/36/23/25/641362325.db2.gz UCEYGQKUSRVOJO-ZDUSSCGKSA-N 2 0 261.369 2.019 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)Nc1c[nH+]ccc1NC(CC)CC ZINC000848108910 641895182 /nfs/dbraw/zinc/89/51/82/641895182.db2.gz YAUWSIPYJSKNTA-UHFFFAOYSA-N 2 0 290.411 2.160 20 30 CEEDRP C[NH+]=C(NC[C@@H](C(C)C)[NH+]1CCCCCC1)NC1CC1 ZINC000848984075 642206607 /nfs/dbraw/zinc/20/66/07/642206607.db2.gz KGBIDIXXSFUNQJ-HNNXBMFYSA-N 2 0 280.460 2.214 20 30 CEEDRP C=CCNC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000848990107 642210969 /nfs/dbraw/zinc/21/09/69/642210969.db2.gz ZHDPCMUPGMOUIY-OKILXGFUSA-N 2 0 266.433 2.044 20 30 CEEDRP N#CCCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849017589 642233323 /nfs/dbraw/zinc/23/33/23/642233323.db2.gz UZVCZBDOVPKRJO-UHFFFAOYSA-N 2 0 299.422 2.069 20 30 CEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999058778 642457199 /nfs/dbraw/zinc/45/71/99/642457199.db2.gz RXNKSRAMEGTABX-UHFFFAOYSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142571 642461415 /nfs/dbraw/zinc/46/14/15/642461415.db2.gz BHBYHLQAUQHGAR-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999403051 642487138 /nfs/dbraw/zinc/48/71/38/642487138.db2.gz ULBFKXUEDHZVIE-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000375294 642596351 /nfs/dbraw/zinc/59/63/51/642596351.db2.gz CCLLGJZYJRNOKW-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000923364326 643679494 /nfs/dbraw/zinc/67/94/94/643679494.db2.gz MEXHCWDJRRGAOQ-FGTMMUONSA-N 2 0 299.418 2.056 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000923391268 643690458 /nfs/dbraw/zinc/69/04/58/643690458.db2.gz XFOKLDDDNBWHEI-CVEARBPZSA-N 2 0 266.429 2.025 20 30 CEEDRP C#CCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000878287758 651054282 /nfs/dbraw/zinc/05/42/82/651054282.db2.gz IOCQDGMVDLMRCO-BRWVUGGUSA-N 2 0 278.440 2.364 20 30 CEEDRP C[C@]1(C[NH2+]C2CCN(c3ccccc3C#N)CC2)CC[NH2+]C1 ZINC000873218198 649594102 /nfs/dbraw/zinc/59/41/02/649594102.db2.gz ZHKKSGYMVNPWCW-SFHVURJKSA-N 2 0 298.434 2.116 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)CC1 ZINC000878864656 651200272 /nfs/dbraw/zinc/20/02/72/651200272.db2.gz JULNZAMSXGSIJT-KRWDZBQOSA-N 2 0 299.418 2.009 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@H]1CC ZINC001087725787 805781010 /nfs/dbraw/zinc/78/10/10/805781010.db2.gz DBUSHPKQVPULTR-HRCADAONSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088279222 806081917 /nfs/dbraw/zinc/08/19/17/806081917.db2.gz NFFZCEPELGULNR-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381783 806174136 /nfs/dbraw/zinc/17/41/36/806174136.db2.gz MMAXMKNJSOHNRF-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCCC1(CC[NH2+]C2CCC([NH+](C)C)CC2)N=N1 ZINC001168314282 806647488 /nfs/dbraw/zinc/64/74/88/806647488.db2.gz BGYQMGLVDQSQFH-UHFFFAOYSA-N 2 0 262.401 2.414 20 30 CEEDRP C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210789654 802734878 /nfs/dbraw/zinc/73/48/78/802734878.db2.gz PTBZROXKWYLXNS-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267015815 803061553 /nfs/dbraw/zinc/06/15/53/803061553.db2.gz SXHJIFRHUWLIQU-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267116898 803140127 /nfs/dbraw/zinc/14/01/27/803140127.db2.gz JIQJIYGQRXMYRI-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001038240499 803177912 /nfs/dbraw/zinc/17/79/12/803177912.db2.gz QJNPYOBIOBZFSF-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655552 803251421 /nfs/dbraw/zinc/25/14/21/803251421.db2.gz UCRUDSDEBPDDJU-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001283621959 803523828 /nfs/dbraw/zinc/52/38/28/803523828.db2.gz PPDSSIYHKRGVCO-GOEBONIOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268691252 804929509 /nfs/dbraw/zinc/92/95/09/804929509.db2.gz RJMRWRJZZKZSME-HOCLYGCPSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCCC[NH+]1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001225582966 804974088 /nfs/dbraw/zinc/97/40/88/804974088.db2.gz XJMDVWDRNCLYEA-UHFFFAOYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+]CC1(NC(=O)C[N@@H+](C)CC(C)(C)C)CCCC1 ZINC001269576046 805203730 /nfs/dbraw/zinc/20/37/30/805203730.db2.gz VIBRCTWODCOJCX-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171509254 815189761 /nfs/dbraw/zinc/18/97/61/815189761.db2.gz NUJNHBKCZAIGJH-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCCC1 ZINC001120207695 815204323 /nfs/dbraw/zinc/20/43/23/815204323.db2.gz AYKDFVXDVVNFLQ-UHFFFAOYSA-N 2 0 295.471 2.311 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921686625 808800485 /nfs/dbraw/zinc/80/04/85/808800485.db2.gz LXJQBYYGTAMRID-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397823 809600693 /nfs/dbraw/zinc/60/06/93/809600693.db2.gz LUEIIKNMBBEYBP-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001121991363 815374730 /nfs/dbraw/zinc/37/47/30/815374730.db2.gz OWHKWPBJSJXSTM-OAHLLOKOSA-N 2 0 275.396 2.370 20 30 CEEDRP N#Cc1ccc(F)c(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC001119700896 810536726 /nfs/dbraw/zinc/53/67/26/810536726.db2.gz KTBFFOAKNBDMPD-UHFFFAOYSA-N 2 0 261.344 2.304 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172291477 815382849 /nfs/dbraw/zinc/38/28/49/815382849.db2.gz ZCVOCYVBFVDIDF-CZUORRHYSA-N 2 0 257.381 2.031 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039051685 810975526 /nfs/dbraw/zinc/97/55/26/810975526.db2.gz XTHCXZPZQGLPDK-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@@H](CCCC#N)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001172493924 815452739 /nfs/dbraw/zinc/45/27/39/815452739.db2.gz PNDQTBCHHSGUAY-AWEZNQCLSA-N 2 0 258.369 2.286 20 30 CEEDRP C[C@H](CCCC#N)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001172500064 815455175 /nfs/dbraw/zinc/45/51/75/815455175.db2.gz JILQDMKWYRPUKC-MRXNPFEDSA-N 2 0 282.476 2.274 20 30 CEEDRP C[C@H](CCCC#N)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001172510176 815458568 /nfs/dbraw/zinc/45/85/68/815458568.db2.gz WNFQWUUYTUOQGQ-MRXNPFEDSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@H](C)C2)CC1 ZINC001170159529 812292742 /nfs/dbraw/zinc/29/27/42/812292742.db2.gz VBMHSUQUKWERTM-ZWKOTPCHSA-N 2 0 291.483 2.467 20 30 CEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001052955874 812478462 /nfs/dbraw/zinc/47/84/62/812478462.db2.gz KTVIQPPVFDLNTI-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430264 812494102 /nfs/dbraw/zinc/49/41/02/812494102.db2.gz QRBLCUNUQOJKPN-INIZCTEOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001052620895 813013784 /nfs/dbraw/zinc/01/37/84/813013784.db2.gz VAZVHDQBLQXBGZ-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584611 813293309 /nfs/dbraw/zinc/29/33/09/813293309.db2.gz VOYOGTUCAYKAIE-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134782258 813325472 /nfs/dbraw/zinc/32/54/72/813325472.db2.gz CTZLNWYMKNYVNG-UHFFFAOYSA-N 2 0 297.487 2.395 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)C[N@@H+](C)CCCCCC ZINC001135436866 813436008 /nfs/dbraw/zinc/43/60/08/813436008.db2.gz DHJZZNTUCJWRCE-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135477711 813446944 /nfs/dbraw/zinc/44/69/44/813446944.db2.gz NVIXOIKRKBVEPX-HNNXBMFYSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C ZINC001071686022 813464303 /nfs/dbraw/zinc/46/43/03/813464303.db2.gz LZGTYQGCARYBSC-ZFWWWQNUSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861231 813550238 /nfs/dbraw/zinc/55/02/38/813550238.db2.gz OHJZSWANLAHGOW-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980590 813577745 /nfs/dbraw/zinc/57/77/45/813577745.db2.gz QHBYDFVEYIKJJK-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001170877318 813585896 /nfs/dbraw/zinc/58/58/96/813585896.db2.gz BCAMPVUPLDKSHD-OWCLPIDISA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426088 813867303 /nfs/dbraw/zinc/86/73/03/813867303.db2.gz DBEGTWRZWAZBNK-INIZCTEOSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001100480442 814134294 /nfs/dbraw/zinc/13/42/94/814134294.db2.gz SUQLOXHHZAKIKQ-UHFFFAOYSA-N 2 0 298.390 2.008 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238642 814210132 /nfs/dbraw/zinc/21/01/32/814210132.db2.gz XDLCVXBQLPKRLX-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C#CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001175218940 816155126 /nfs/dbraw/zinc/15/51/26/816155126.db2.gz XXVQZFRXRMBODB-HZPDHXFCSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001175873883 816301064 /nfs/dbraw/zinc/30/10/64/816301064.db2.gz NXMFJQKYASVKST-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176230878 816371353 /nfs/dbraw/zinc/37/13/53/816371353.db2.gz OGFZLLJGRUSTTM-MRXNPFEDSA-N 2 0 295.471 2.006 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176566194 816442835 /nfs/dbraw/zinc/44/28/35/816442835.db2.gz ZKOCPKWLLLJXLP-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176759538 816472830 /nfs/dbraw/zinc/47/28/30/816472830.db2.gz JHVNIVFJIPILQQ-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CC1 ZINC000121539882 365583152 /nfs/dbraw/zinc/58/31/52/365583152.db2.gz QQCWSVMCPOLXNC-KRWDZBQOSA-N 2 0 279.472 2.347 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000042393543 362091477 /nfs/dbraw/zinc/09/14/77/362091477.db2.gz UVYQCMDRCUCNBL-UHFFFAOYSA-N 2 0 257.381 2.332 20 30 CEEDRP CNC(NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)=[NH+]C ZINC000057887894 343640628 /nfs/dbraw/zinc/64/06/28/343640628.db2.gz NSDWSTMUMBZKKB-AWEZNQCLSA-N 2 0 288.439 2.356 20 30 CEEDRP C[NH+]=C(NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)NC1CC1 ZINC000069672678 343789743 /nfs/dbraw/zinc/78/97/43/343789743.db2.gz FGKKNTMKLBHFDD-ZDUSSCGKSA-N 2 0 288.439 2.443 20 30 CEEDRP CC(C)(C#N)CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000119728332 344296257 /nfs/dbraw/zinc/29/62/57/344296257.db2.gz LNHWGOZJPDHWHH-UHFFFAOYSA-N 2 0 258.369 2.143 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602516398 347064533 /nfs/dbraw/zinc/06/45/33/347064533.db2.gz KQKQXHRFHQGHHD-BZUAXINKSA-N 2 0 291.439 2.302 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000591581808 345266886 /nfs/dbraw/zinc/26/68/86/345266886.db2.gz WFYWMSZDDRXTAP-XHDPSFHLSA-N 2 0 273.355 2.490 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593730195 345528866 /nfs/dbraw/zinc/52/88/66/345528866.db2.gz LPHUPMKAYWMLJI-KURKYZTESA-N 2 0 299.418 2.419 20 30 CEEDRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424382 345625142 /nfs/dbraw/zinc/62/51/42/345625142.db2.gz CKXKXLZGJOZKQY-AWEZNQCLSA-N 2 0 288.395 2.146 20 30 CEEDRP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584681 345651768 /nfs/dbraw/zinc/65/17/68/345651768.db2.gz BLSQNLXGTHJZSL-INIZCTEOSA-N 2 0 287.407 2.281 20 30 CEEDRP C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)C1C[NH2+]C1 ZINC000594585115 345651994 /nfs/dbraw/zinc/65/19/94/345651994.db2.gz MSEVOTWRNYTFRZ-GFCCVEGCSA-N 2 0 255.365 2.135 20 30 CEEDRP C[C@@H](C[NH2+]Cc1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000057994480 362604367 /nfs/dbraw/zinc/60/43/67/362604367.db2.gz ZKQXHVAZEYHRAB-AWEZNQCLSA-N 2 0 257.381 2.380 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000598680296 346399769 /nfs/dbraw/zinc/39/97/69/346399769.db2.gz VHYTZGRMYZQYKG-INIZCTEOSA-N 2 0 269.392 2.380 20 30 CEEDRP N#CCc1cccc2c1CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000600752408 346684481 /nfs/dbraw/zinc/68/44/81/346684481.db2.gz WTZNKOSOGZOARR-AWEZNQCLSA-N 2 0 269.392 2.110 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](CCOc3ccccc3C#N)C2)CC1 ZINC000602878071 347235095 /nfs/dbraw/zinc/23/50/95/347235095.db2.gz TZKWEZXPUQYCQT-UHFFFAOYSA-N 2 0 299.418 2.355 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH2+]CCCC#N)cc1 ZINC000612191977 347855511 /nfs/dbraw/zinc/85/55/11/347855511.db2.gz FFASQQYXTAKEFI-UHFFFAOYSA-N 2 0 261.369 2.020 20 30 CEEDRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCCC#N)CC1 ZINC000069608436 362984392 /nfs/dbraw/zinc/98/43/92/362984392.db2.gz XAGGYIFQTKDKRZ-IAGOWNOFSA-N 2 0 292.471 2.171 20 30 CEEDRP C[N@H+](CCCC1(C#N)CCOCC1)C[C@H]1CCC[NH+](C)C1 ZINC000337189810 366064484 /nfs/dbraw/zinc/06/44/84/366064484.db2.gz RJOKBAVOEJFYNC-INIZCTEOSA-N 2 0 293.455 2.361 20 30 CEEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCCC2(C#N)CCOCC2)C1 ZINC000337190064 366064835 /nfs/dbraw/zinc/06/48/35/366064835.db2.gz RMKHGBBHAAFCBY-MRXNPFEDSA-N 2 0 293.455 2.361 20 30 CEEDRP [NH2+]=C(NCCCNc1ccccn1)NC1CCCCC1 ZINC000170905231 367443747 /nfs/dbraw/zinc/44/37/47/367443747.db2.gz BTXXVQSPMCLZDT-UHFFFAOYSA-N 2 0 275.400 2.121 20 30 CEEDRP C[NH+]=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC1CC1 ZINC000171408568 367536993 /nfs/dbraw/zinc/53/69/93/367536993.db2.gz ZWFUCTOSLUUMCV-UHFFFAOYSA-N 2 0 286.423 2.110 20 30 CEEDRP CCC(CC)(CNC(=[NH2+])NC)[NH2+][C@H](C)c1ccccc1 ZINC000171801558 367618709 /nfs/dbraw/zinc/61/87/09/367618709.db2.gz XYBZJNQSLZOXMP-CYBMUJFWSA-N 2 0 276.428 2.430 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)C1 ZINC000343618556 367919448 /nfs/dbraw/zinc/91/94/48/367919448.db2.gz TVSJUPURHVUKCT-PBHICJAKSA-N 2 0 271.408 2.421 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000345323352 368234964 /nfs/dbraw/zinc/23/49/64/368234964.db2.gz SHZAAPUTUBGRKL-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)[C@@H](CO)[N@@H+](C)CCCc1nccn1CCC ZINC000683224485 541776468 /nfs/dbraw/zinc/77/64/68/541776468.db2.gz KAVLYGIAIKTZQZ-CQSZACIVSA-N 2 0 265.401 2.095 20 30 CEEDRP C[C@@H](CCC#N)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351413568 369635399 /nfs/dbraw/zinc/63/53/99/369635399.db2.gz MDJKIIYWSQNJMT-HRCADAONSA-N 2 0 293.455 2.500 20 30 CEEDRP C=C(C)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000351759761 369651288 /nfs/dbraw/zinc/65/12/88/369651288.db2.gz STHIAOWDSVYTDV-RRFJBIMHSA-N 2 0 252.402 2.136 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[NH+]2CCC(C)CC2)cc1 ZINC000264083989 371965798 /nfs/dbraw/zinc/96/57/98/371965798.db2.gz IITLUHFTXRAXDW-UHFFFAOYSA-N 2 0 290.411 2.154 20 30 CEEDRP CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000264086391 371967230 /nfs/dbraw/zinc/96/72/30/371967230.db2.gz JOTDUHKRLKPUNL-CYBMUJFWSA-N 2 0 288.439 2.490 20 30 CEEDRP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264122927 371973930 /nfs/dbraw/zinc/97/39/30/371973930.db2.gz RIUVJFFTMPIWFG-UHFFFAOYSA-N 2 0 288.439 2.487 20 30 CEEDRP C=CCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000562697620 376973284 /nfs/dbraw/zinc/97/32/84/376973284.db2.gz XDZXOHPPFNMGGI-UHFFFAOYSA-N 2 0 254.418 2.121 20 30 CEEDRP COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1C#N ZINC000292796163 377285783 /nfs/dbraw/zinc/28/57/83/377285783.db2.gz MYVWZGHMNFRANB-QGZVFWFLSA-N 2 0 285.391 2.094 20 30 CEEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccn2)CCCCCC1 ZINC000263107125 394626647 /nfs/dbraw/zinc/62/66/47/394626647.db2.gz DAUUVLJXPQSFDA-UHFFFAOYSA-N 2 0 289.427 2.463 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[N@H+](C)C2CCCC2)cc1 ZINC000267416791 394678279 /nfs/dbraw/zinc/67/82/79/394678279.db2.gz JJTSEFBMVKLBFR-UHFFFAOYSA-N 2 0 290.411 2.296 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NCC2=CC[N@H+](C)CC2)cc1C ZINC000271796123 394764272 /nfs/dbraw/zinc/76/42/72/394764272.db2.gz KBADVOYFUJWVCQ-UHFFFAOYSA-N 2 0 272.396 2.292 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353594754 395302827 /nfs/dbraw/zinc/30/28/27/395302827.db2.gz NNNXODHNJMPFSY-MTSZKFMLSA-N 2 0 278.440 2.430 20 30 CEEDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411309188 395326938 /nfs/dbraw/zinc/32/69/38/395326938.db2.gz QRXVVKPQCNQYLY-CABCVRRESA-N 2 0 267.417 2.111 20 30 CEEDRP C=CCOCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000293963365 395260614 /nfs/dbraw/zinc/26/06/14/395260614.db2.gz CPROIGJGARBSID-HDICACEKSA-N 2 0 286.419 2.253 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650712228 401001058 /nfs/dbraw/zinc/00/10/58/401001058.db2.gz XENSCGIJOCRCAF-UHFFFAOYSA-N 2 0 260.381 2.470 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000651952922 401422966 /nfs/dbraw/zinc/42/29/66/401422966.db2.gz IETLKLYORKZOFO-DLBZAZTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657873303 415110960 /nfs/dbraw/zinc/11/09/60/415110960.db2.gz SEKSFFNLRRZGSD-BRWVUGGUSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCOc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414826813 263055497 /nfs/dbraw/zinc/05/54/97/263055497.db2.gz JQFAIYBJHJFYDQ-OAHLLOKOSA-N 2 0 260.381 2.341 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000163502099 264356943 /nfs/dbraw/zinc/35/69/43/264356943.db2.gz QKGMDFKHBJMAPI-ZNMIVQPWSA-N 2 0 252.402 2.089 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421341607 267058448 /nfs/dbraw/zinc/05/84/48/267058448.db2.gz KOQDLHDBFFIOBM-UHFFFAOYSA-N 2 0 293.386 2.145 20 30 CEEDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000397318354 267075363 /nfs/dbraw/zinc/07/53/63/267075363.db2.gz ABVKUHCENOZCDV-XJKCOSOUSA-N 2 0 257.381 2.363 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123151284 268003730 /nfs/dbraw/zinc/00/37/30/268003730.db2.gz HWKIWECJCWMGBV-INIZCTEOSA-N 2 0 268.445 2.367 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C(C)C ZINC000165199555 277851941 /nfs/dbraw/zinc/85/19/41/277851941.db2.gz GOPAOXCLRWEHFL-HUUCEWRRSA-N 2 0 295.471 2.175 20 30 CEEDRP CC(C)[N@H+](C)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288762996 328253677 /nfs/dbraw/zinc/25/36/77/328253677.db2.gz SPCZJYPMWANFJK-UHFFFAOYSA-N 2 0 284.354 2.422 20 30 CEEDRP C#Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000377543214 329018490 /nfs/dbraw/zinc/01/84/90/329018490.db2.gz QCHHKZWNCBBEGP-DLBZAZTESA-N 2 0 254.377 2.384 20 30 CEEDRP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCC[NH+]2CCCC2)O1 ZINC000378448104 329050687 /nfs/dbraw/zinc/05/06/87/329050687.db2.gz BPFVTQXYEXXILN-QBPKDAKJSA-N 2 0 291.439 2.302 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422983459 330162675 /nfs/dbraw/zinc/16/26/75/330162675.db2.gz ZOQAQIIQSZANDJ-CYBMUJFWSA-N 2 0 274.412 2.185 20 30 CEEDRP C=CC[C@H](CO)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423019378 330165775 /nfs/dbraw/zinc/16/57/75/330165775.db2.gz VKMFZHDTNHMMKJ-ILXRZTDVSA-N 2 0 254.418 2.071 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523085 330210064 /nfs/dbraw/zinc/21/00/64/330210064.db2.gz VJTQPDBYSQCAHL-NUWOQIAWSA-N 2 0 279.472 2.393 20 30 CEEDRP C[NH+](C)CCN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449072372 330897193 /nfs/dbraw/zinc/89/71/93/330897193.db2.gz FNHDYWDPTFBXPB-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000163552223 331056019 /nfs/dbraw/zinc/05/60/19/331056019.db2.gz CHPYLYHKRUYKNW-HRCADAONSA-N 2 0 266.429 2.480 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291218 331166706 /nfs/dbraw/zinc/16/67/06/331166706.db2.gz WKSXYUQYFAQLTF-OAHLLOKOSA-N 2 0 288.439 2.211 20 30 CEEDRP C=CCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239963 333529462 /nfs/dbraw/zinc/52/94/62/333529462.db2.gz JIGQRROROVEALA-OAHLLOKOSA-N 2 0 252.402 2.043 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000580639353 335308823 /nfs/dbraw/zinc/30/88/23/335308823.db2.gz JWYMUHZVGUUTEC-YOEHRIQHSA-N 2 0 298.390 2.256 20 30 CEEDRP C=CCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000577696548 335389703 /nfs/dbraw/zinc/38/97/03/335389703.db2.gz ARGQSWXQQIJCEG-UHFFFAOYSA-N 2 0 266.429 2.387 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000353312868 526597319 /nfs/dbraw/zinc/59/73/19/526597319.db2.gz IETQIZFEQHHOCW-INIZCTEOSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CCC)[NH2+]C(C)C)CC1 ZINC000353312869 526597645 /nfs/dbraw/zinc/59/76/45/526597645.db2.gz IETQIZFEQHHOCW-MRXNPFEDSA-N 2 0 295.471 2.310 20 30 CEEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC(=[NH+]n3cnnc3)CC2)C1 ZINC000733743529 574686118 /nfs/dbraw/zinc/68/61/18/574686118.db2.gz XCULTPXDKDPJGI-TZMCWYRMSA-N 2 0 261.373 2.157 20 30 CEEDRP CCC[N@H+](CC)CCNC(=[NH2+])NC1CCCCCC1 ZINC000179867220 628065090 /nfs/dbraw/zinc/06/50/90/628065090.db2.gz CFUFPFWIDHJQTF-UHFFFAOYSA-N 2 0 268.449 2.345 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026491718 628336304 /nfs/dbraw/zinc/33/63/04/628336304.db2.gz JUTQRDUZFPABER-GPANFISMSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CCC[C@@H]([NH2+][C@@H]1CNCC2(CCOCC2)C1)C1CC1 ZINC000925800141 628847352 /nfs/dbraw/zinc/84/73/52/628847352.db2.gz XIASJOMNKYNIBP-JKSUJKDBSA-N 2 0 278.440 2.480 20 30 CEEDRP C[NH+]=C(NCCC1=CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261935866 629346349 /nfs/dbraw/zinc/34/63/49/629346349.db2.gz CKFHKGQNWRKQOF-XJKSGUPXSA-N 2 0 290.455 2.135 20 30 CEEDRP C[C@@H](CCNC(=[NH2+])N1CCCCCC1)[NH+]1CCCCC1 ZINC000305804334 631120235 /nfs/dbraw/zinc/12/02/35/631120235.db2.gz FWMASCGZSVDMEO-HNNXBMFYSA-N 2 0 280.460 2.442 20 30 CEEDRP C#C[C@H](CC)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000809686209 632126751 /nfs/dbraw/zinc/12/67/51/632126751.db2.gz ALRGAOZAQUNAKY-OAHLLOKOSA-N 2 0 260.381 2.128 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000900214410 633594687 /nfs/dbraw/zinc/59/46/87/633594687.db2.gz DTXVASOKJIMINS-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000817915036 633774497 /nfs/dbraw/zinc/77/44/97/633774497.db2.gz GYBYSYUWLUHVHW-SWLSCSKDSA-N 2 0 273.380 2.045 20 30 CEEDRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000819362663 634155387 /nfs/dbraw/zinc/15/53/87/634155387.db2.gz PQBASTWGAJIOCV-KRWDZBQOSA-N 2 0 287.407 2.056 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000903448272 635134016 /nfs/dbraw/zinc/13/40/16/635134016.db2.gz BNOLYGRHTUHVCT-QGZVFWFLSA-N 2 0 269.392 2.361 20 30 CEEDRP C=CCC1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCC1 ZINC000903933242 635357909 /nfs/dbraw/zinc/35/79/09/635357909.db2.gz MXJKBWBNJXAPHX-AWEZNQCLSA-N 2 0 289.427 2.181 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505551 638712254 /nfs/dbraw/zinc/71/22/54/638712254.db2.gz GDFBGYOMJLXPMI-OAHLLOKOSA-N 2 0 294.487 2.462 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996674931 642126587 /nfs/dbraw/zinc/12/65/87/642126587.db2.gz DNFQWRLJBDVHCW-INIZCTEOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000998865647 642442147 /nfs/dbraw/zinc/44/21/47/642442147.db2.gz GPDPPOGSFWNJCT-UYSNPLJNSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999152887 642464337 /nfs/dbraw/zinc/46/43/37/642464337.db2.gz MTBWEUUIZVOMGL-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@H+](CCc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923308099 643648955 /nfs/dbraw/zinc/64/89/55/643648955.db2.gz BCTGPQUEGVXYRV-KRWDZBQOSA-N 2 0 286.419 2.096 20 30 CEEDRP C=CCC[C@H](O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000923413391 643701972 /nfs/dbraw/zinc/70/19/72/643701972.db2.gz FOHRZOCNYPOSNP-DZGCQCFKSA-N 2 0 254.418 2.010 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000878020802 650976060 /nfs/dbraw/zinc/97/60/60/650976060.db2.gz QMSYOKBFMABAHV-GVDBMIGSSA-N 2 0 279.472 2.441 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000878274652 651050726 /nfs/dbraw/zinc/05/07/26/651050726.db2.gz ULUAUBBVJCULEU-INIZCTEOSA-N 2 0 279.472 2.441 20 30 CEEDRP N#Cc1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000866703739 647875613 /nfs/dbraw/zinc/87/56/13/647875613.db2.gz LHSHPDFJQYPWKC-QGZVFWFLSA-N 2 0 298.434 2.070 20 30 CEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000872223833 649321283 /nfs/dbraw/zinc/32/12/83/649321283.db2.gz ZFTPOIKBVADWFL-MRXNPFEDSA-N 2 0 293.455 2.141 20 30 CEEDRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000873218966 649594710 /nfs/dbraw/zinc/59/47/10/649594710.db2.gz BGLDLDYTGJMHQU-WBVHZDCISA-N 2 0 298.434 2.068 20 30 CEEDRP C[C@H]1C[C@@H](C[N@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219021 649595003 /nfs/dbraw/zinc/59/50/03/649595003.db2.gz CRNPNHKVLOSFHH-YOEHRIQHSA-N 2 0 271.408 2.421 20 30 CEEDRP C=CCCC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125107 651247473 /nfs/dbraw/zinc/24/74/73/651247473.db2.gz PJSMOMSPFIGPOM-UHFFFAOYSA-N 2 0 254.418 2.243 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000879251274 651270586 /nfs/dbraw/zinc/27/05/86/651270586.db2.gz RZPFCGWHAPTDQR-CABCVRRESA-N 2 0 261.413 2.486 20 30 CEEDRP C[N@@H+]1CC[C@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579910 651326727 /nfs/dbraw/zinc/32/67/27/651326727.db2.gz QDCFMOCGXKXRDG-IRXDYDNUSA-N 2 0 269.392 2.127 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271540118 805987925 /nfs/dbraw/zinc/98/79/25/805987925.db2.gz PHUDCOYJNJDQNJ-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@@H+](C)CC ZINC001271601080 805998737 /nfs/dbraw/zinc/99/87/37/805998737.db2.gz VQISPIFJVGMEIZ-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001167240938 802598791 /nfs/dbraw/zinc/59/87/91/802598791.db2.gz WNSHOUWZLBKRFJ-UHFFFAOYSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198418 802648123 /nfs/dbraw/zinc/64/81/23/802648123.db2.gz LXLAEMMACAGGOC-HOTGVXAUSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266754058 802880397 /nfs/dbraw/zinc/88/03/97/802880397.db2.gz FYTTZFUOXMXCQU-UHFFFAOYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282257 803327131 /nfs/dbraw/zinc/32/71/31/803327131.db2.gz OZBXWSRTICDJNN-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C#CCCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397568580 803810235 /nfs/dbraw/zinc/81/02/35/803810235.db2.gz WZWUNVFLKOGNNO-UHFFFAOYSA-N 2 0 286.419 2.017 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001268007935 803918577 /nfs/dbraw/zinc/91/85/77/803918577.db2.gz IZYJFTBTLOYWJM-INIZCTEOSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001268098040 804436769 /nfs/dbraw/zinc/43/67/69/804436769.db2.gz NHSWGFBGCKAGOI-CVEARBPZSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001268138766 804481711 /nfs/dbraw/zinc/48/17/11/804481711.db2.gz CSKRJRWLBCUQRP-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001268228835 804555706 /nfs/dbraw/zinc/55/57/06/804555706.db2.gz XNLZLJZXROXRIA-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)C(C)C ZINC001268228840 804556120 /nfs/dbraw/zinc/55/61/20/804556120.db2.gz XNLZLJZXROXRIA-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001284220098 804908005 /nfs/dbraw/zinc/90/80/05/804908005.db2.gz NCYLNEZHCKOHOX-LSDHHAIUSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268869559 804991768 /nfs/dbraw/zinc/99/17/68/804991768.db2.gz ZYESCHROUHNBRV-MRXNPFEDSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCc1cccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235163522 807786186 /nfs/dbraw/zinc/78/61/86/807786186.db2.gz XXDIVNIVIYUACX-GOEBONIOSA-N 2 0 258.365 2.044 20 30 CEEDRP C[NH+](C)CC1(O)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000710560856 809969461 /nfs/dbraw/zinc/96/94/61/809969461.db2.gz IEALQKWTAQPMGJ-UHFFFAOYSA-N 2 0 281.444 2.095 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCC1 ZINC001273166741 810077538 /nfs/dbraw/zinc/07/75/38/810077538.db2.gz UAVFTLCHVWFIJH-OAHLLOKOSA-N 2 0 293.455 2.064 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CCC[NH+](C)C ZINC001172308467 815364687 /nfs/dbraw/zinc/36/46/87/815364687.db2.gz KPJVKRYQJOALSQ-AWEZNQCLSA-N 2 0 259.397 2.373 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172299870 815387775 /nfs/dbraw/zinc/38/77/75/815387775.db2.gz PFJPWVJXNMGWFU-RCBQFDQVSA-N 2 0 257.381 2.349 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccc(C#N)cc1)C2 ZINC001169107669 811402030 /nfs/dbraw/zinc/40/20/30/811402030.db2.gz JMOJVMYXCPTSSJ-PHZGNYQRSA-N 2 0 285.391 2.152 20 30 CEEDRP CC[NH+](CC)CCCN1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172502772 815456616 /nfs/dbraw/zinc/45/66/16/815456616.db2.gz WMMVTZGDUYLAMA-KRWDZBQOSA-N 2 0 294.487 2.418 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129444281 812492865 /nfs/dbraw/zinc/49/28/65/812492865.db2.gz QBSJLGDQSFCLAZ-HNNXBMFYSA-N 2 0 283.460 2.003 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131840226 812737647 /nfs/dbraw/zinc/73/76/47/812737647.db2.gz DVZIWEUWXURFOW-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132433036 812848099 /nfs/dbraw/zinc/84/80/99/812848099.db2.gz JRDYKJAQRQPJFH-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435385 812849097 /nfs/dbraw/zinc/84/90/97/812849097.db2.gz CKNXRBWBINOMKO-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369849 813261870 /nfs/dbraw/zinc/26/18/70/813261870.db2.gz SSWHJSGHYYOJEU-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858224 813336938 /nfs/dbraw/zinc/33/69/38/813336938.db2.gz PZIAAVGDAKFVPG-CABCVRRESA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1CNc1cc(N(C)C)cc[nH+]1 ZINC001160954226 814281491 /nfs/dbraw/zinc/28/14/91/814281491.db2.gz RUJGESWHSBWXFZ-AWEZNQCLSA-N 2 0 260.385 2.210 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303221 814438749 /nfs/dbraw/zinc/43/87/49/814438749.db2.gz BCJNDAYNRAEVJJ-UHFFFAOYSA-N 2 0 295.471 2.149 20 30 CEEDRP C#CC[NH+](CC(C)C[N@H+](CC#C)CC1CC1)CC1CC1 ZINC001116368074 814847546 /nfs/dbraw/zinc/84/75/46/814847546.db2.gz CRSDZAKCMNFLRP-UHFFFAOYSA-N 2 0 272.436 2.313 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176582573 816436662 /nfs/dbraw/zinc/43/66/62/816436662.db2.gz HQWWURJXGRAZGW-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176999228 816507216 /nfs/dbraw/zinc/50/72/16/816507216.db2.gz RAUMEEZCTBNEJK-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP CCCCCCCCCCN(C)C(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001161226031 816809649 /nfs/dbraw/zinc/80/96/49/816809649.db2.gz BUGJOBBRUZSVQS-CABCVRRESA-N 2 0 283.460 2.275 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001179378391 816859838 /nfs/dbraw/zinc/85/98/38/816859838.db2.gz BEJZSAFGWNGROU-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)[C@H]1C ZINC001179434953 816861699 /nfs/dbraw/zinc/86/16/99/816861699.db2.gz GCCMJLXUODEMFU-JYJNAYRXSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516371 816868973 /nfs/dbraw/zinc/86/89/73/816868973.db2.gz AIFNYJJGLSWACR-HRCADAONSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179585465 816885275 /nfs/dbraw/zinc/88/52/75/816885275.db2.gz IMLCNZIKZRPJCM-CVEARBPZSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CCOc1ccccc1C[N@@H+](C)CC1CN(C)C1 ZINC000668537451 539192241 /nfs/dbraw/zinc/19/22/41/539192241.db2.gz HAUMMFIBWSURCZ-UHFFFAOYSA-N 2 0 260.381 2.245 20 30 CEEDRP COCC#CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000677133203 539190051 /nfs/dbraw/zinc/19/00/51/539190051.db2.gz MTIRCXBIYXYKBX-KRWDZBQOSA-N 2 0 278.440 2.224 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442861196 344901570 /nfs/dbraw/zinc/90/15/70/344901570.db2.gz DBBVLZNZJTXRRO-GJZGRUSLSA-N 2 0 267.461 2.203 20 30 CEEDRP C[C@@H]([NH3+])C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000591580671 345266822 /nfs/dbraw/zinc/26/68/22/345266822.db2.gz JLPHXTXQOPDUPE-IUDNXUCKSA-N 2 0 257.381 2.327 20 30 CEEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000594515492 345641979 /nfs/dbraw/zinc/64/19/79/345641979.db2.gz SLQFIEREGXQESE-XBXGTLAGSA-N 2 0 261.344 2.127 20 30 CEEDRP N#Cc1ccc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000595895397 345908744 /nfs/dbraw/zinc/90/87/44/345908744.db2.gz LJHZBIIPKVSQIY-SFHVURJKSA-N 2 0 283.419 2.422 20 30 CEEDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595893089 345908847 /nfs/dbraw/zinc/90/88/47/345908847.db2.gz OZGXQHUFDKMXRK-HNNXBMFYSA-N 2 0 257.381 2.078 20 30 CEEDRP CC(C)(C#N)C[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000598585351 346377636 /nfs/dbraw/zinc/37/76/36/346377636.db2.gz COQBIPIOYILLHO-INIZCTEOSA-N 2 0 293.455 2.095 20 30 CEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598699646 346403222 /nfs/dbraw/zinc/40/32/22/346403222.db2.gz HFRCMRSJYISLJP-OWCLPIDISA-N 2 0 295.471 2.245 20 30 CEEDRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C#N ZINC000600707583 346674473 /nfs/dbraw/zinc/67/44/73/346674473.db2.gz BRSAGLOOTFZSLA-IRXDYDNUSA-N 2 0 269.392 2.428 20 30 CEEDRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1C#N ZINC000600707179 346674501 /nfs/dbraw/zinc/67/45/01/346674501.db2.gz XQKBPYVYLLQYHP-UHFFFAOYSA-N 2 0 287.407 2.197 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC(C)CC1 ZINC000130557036 365967363 /nfs/dbraw/zinc/96/73/63/365967363.db2.gz HKTBXRKZLHECMQ-OAHLLOKOSA-N 2 0 280.460 2.153 20 30 CEEDRP FC(F)[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000671242496 540025092 /nfs/dbraw/zinc/02/50/92/540025092.db2.gz DLFITQXATVUPRG-RYUDHWBXSA-N 2 0 292.320 2.164 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000153025580 366726191 /nfs/dbraw/zinc/72/61/91/366726191.db2.gz IUYGVIDGCAQQCO-GDBMZVCRSA-N 2 0 277.456 2.242 20 30 CEEDRP C=CCCC[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678717357 541165486 /nfs/dbraw/zinc/16/54/86/541165486.db2.gz PFVQZCHXWXEYPS-IAGOWNOFSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCCC[C@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678717358 541165861 /nfs/dbraw/zinc/16/58/61/541165861.db2.gz PFVQZCHXWXEYPS-IRXDYDNUSA-N 2 0 279.472 2.443 20 30 CEEDRP C#CCOc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000093089057 364139369 /nfs/dbraw/zinc/13/93/69/364139369.db2.gz XSIJZDDJZCHCBB-UHFFFAOYSA-N 2 0 286.419 2.472 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000357593889 370822736 /nfs/dbraw/zinc/82/27/36/370822736.db2.gz XNIBBVNKVHGPFQ-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)C1 ZINC000170911307 367446845 /nfs/dbraw/zinc/44/68/45/367446845.db2.gz GMRWNDIXDSPVEW-CQSZACIVSA-N 2 0 288.439 2.295 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000635000527 369035084 /nfs/dbraw/zinc/03/50/84/369035084.db2.gz QAQRDZWWNHLGBD-DZGCQCFKSA-N 2 0 260.381 2.278 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2cc(C#N)n(C)c2)[C@H](C)C1 ZINC000191396764 369709200 /nfs/dbraw/zinc/70/92/00/369709200.db2.gz AHRMFSMKXNAWQV-CJNGLKHVSA-N 2 0 274.412 2.059 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912884 371030745 /nfs/dbraw/zinc/03/07/45/371030745.db2.gz RZSZVGMEQCRDBF-XIRDDKMYSA-N 2 0 278.440 2.262 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@H]21 ZINC000247979804 371151820 /nfs/dbraw/zinc/15/18/20/371151820.db2.gz MGINDZPGMXYCSG-SJLPKXTDSA-N 2 0 299.418 2.353 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c1 ZINC000261680773 371699775 /nfs/dbraw/zinc/69/97/75/371699775.db2.gz GYYUKAKQLUWUNA-INIZCTEOSA-N 2 0 260.381 2.422 20 30 CEEDRP CCNC(=[NH2+])NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000264081567 371964861 /nfs/dbraw/zinc/96/48/61/371964861.db2.gz IOJFOKVNQURHPY-CYBMUJFWSA-N 2 0 294.468 2.445 20 30 CEEDRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128663 372350953 /nfs/dbraw/zinc/35/09/53/372350953.db2.gz HGSGXQIEAYYUCW-DLBZAZTESA-N 2 0 269.392 2.474 20 30 CEEDRP C=CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000364226675 372697718 /nfs/dbraw/zinc/69/77/18/372697718.db2.gz ALPVHRPNOVKPIM-GASCZTMLSA-N 2 0 266.429 2.384 20 30 CEEDRP CCC#C[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255216 373000506 /nfs/dbraw/zinc/00/05/06/373000506.db2.gz FWOBJKGUAVAVKG-KRWDZBQOSA-N 2 0 291.483 2.280 20 30 CEEDRP N#C[C@H]1CC[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699390 377520355 /nfs/dbraw/zinc/52/03/55/377520355.db2.gz PYRJAQRSSHYPGJ-HOTGVXAUSA-N 2 0 291.439 2.255 20 30 CEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CC)CC1 ZINC000436313481 377825285 /nfs/dbraw/zinc/82/52/85/377825285.db2.gz WLNCDQRNFHYBGE-UKRRQHHQSA-N 2 0 252.402 2.042 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449077531 378196996 /nfs/dbraw/zinc/19/69/96/378196996.db2.gz JXYRXBHXUFXYCH-UHFFFAOYSA-N 2 0 267.417 2.017 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957812 394557223 /nfs/dbraw/zinc/55/72/23/394557223.db2.gz MTEGXMJBAGZAHD-UHFFFAOYSA-N 2 0 299.418 2.102 20 30 CEEDRP C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000265944622 394656418 /nfs/dbraw/zinc/65/64/18/394656418.db2.gz GJJVPESBQFQXSG-MRXNPFEDSA-N 2 0 287.407 2.363 20 30 CEEDRP C[NH+]=C(NCc1ccccc1C[N@H+](C)C(C)C)NC1CC1 ZINC000103337898 394714665 /nfs/dbraw/zinc/71/46/65/394714665.db2.gz REZJPIGOPLXBKS-UHFFFAOYSA-N 2 0 288.439 2.354 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372353665 395040795 /nfs/dbraw/zinc/04/07/95/395040795.db2.gz HCNGMSXTRWYGON-OWCLPIDISA-N 2 0 266.429 2.432 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000651952925 401422849 /nfs/dbraw/zinc/42/28/49/401422849.db2.gz IETLKLYORKZOFO-SJORKVTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347522 401490863 /nfs/dbraw/zinc/49/08/63/401490863.db2.gz CXUSBRPFEYSVTF-RRFJBIMHSA-N 2 0 252.402 2.171 20 30 CEEDRP C=CCCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695246 414936330 /nfs/dbraw/zinc/93/63/30/414936330.db2.gz GKTCAPHIMZOETK-UHFFFAOYSA-N 2 0 268.445 2.415 20 30 CEEDRP CC(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264149591 262880601 /nfs/dbraw/zinc/88/06/01/262880601.db2.gz YWYCZKXJLGCFEX-UHFFFAOYSA-N 2 0 288.439 2.343 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1 ZINC000414903089 263111115 /nfs/dbraw/zinc/11/11/15/263111115.db2.gz HXHRDZUCQKWZGT-OAHLLOKOSA-N 2 0 260.381 2.483 20 30 CEEDRP C[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000125977792 264124090 /nfs/dbraw/zinc/12/40/90/264124090.db2.gz NEBFEWLHKORESH-ZIAGYGMSSA-N 2 0 292.471 2.357 20 30 CEEDRP C[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000125978036 264124216 /nfs/dbraw/zinc/12/42/16/264124216.db2.gz NEBFEWLHKORESH-UONOGXRCSA-N 2 0 292.471 2.357 20 30 CEEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]CC(C)(C)CCC#N)C2)CC1 ZINC000369670783 267258331 /nfs/dbraw/zinc/25/83/31/267258331.db2.gz BAWQCTXNYBHOGR-HNNXBMFYSA-N 2 0 292.471 2.074 20 30 CEEDRP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353387999 279258413 /nfs/dbraw/zinc/25/84/13/279258413.db2.gz PHIOKXZLYGBBCN-MLGOLLRUSA-N 2 0 257.381 2.475 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000378547068 329054677 /nfs/dbraw/zinc/05/46/77/329054677.db2.gz RPWMHQAHPITRIW-NVXWUHKLSA-N 2 0 289.423 2.084 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422857287 330157807 /nfs/dbraw/zinc/15/78/07/330157807.db2.gz GQMDDUCSNBXIKS-YESZJQIVSA-N 2 0 277.456 2.147 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422910051 330159906 /nfs/dbraw/zinc/15/99/06/330159906.db2.gz POPUNNKNTSYJBR-ZFWWWQNUSA-N 2 0 260.381 2.468 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422976145 330162242 /nfs/dbraw/zinc/16/22/42/330162242.db2.gz HTNKMHVOMHPHHP-HZPDHXFCSA-N 2 0 265.445 2.277 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423036129 330166642 /nfs/dbraw/zinc/16/66/42/330166642.db2.gz ZYORAHNQWUKTDX-KZNAEPCWSA-N 2 0 286.419 2.447 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423095888 330169882 /nfs/dbraw/zinc/16/98/82/330169882.db2.gz NJOQFXPOYIWXSI-YJNKXOJESA-N 2 0 252.402 2.075 20 30 CEEDRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424146687 330293356 /nfs/dbraw/zinc/29/33/56/330293356.db2.gz PZBGGPCNNBJPBV-CQSZACIVSA-N 2 0 288.395 2.016 20 30 CEEDRP C=C[C@H]1CCCCN1CC(O)C[N@@H+]1CCCC[C@@H]1C=C ZINC000489499650 332056970 /nfs/dbraw/zinc/05/69/70/332056970.db2.gz SQRPKTNJZIZFIY-HOTGVXAUSA-N 2 0 278.440 2.428 20 30 CEEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530207208 333528100 /nfs/dbraw/zinc/52/81/00/333528100.db2.gz CHQQUWVHUNGVHV-RBSFLKMASA-N 2 0 266.429 2.335 20 30 CEEDRP C=CCOCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000347958821 526751355 /nfs/dbraw/zinc/75/13/55/526751355.db2.gz CHROZSXNCIFMNC-UHFFFAOYSA-N 2 0 296.455 2.013 20 30 CEEDRP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)nc3C)[C@@H]2C1 ZINC000978499126 613835355 /nfs/dbraw/zinc/83/53/55/613835355.db2.gz GTMKJASIGCUCDD-PHZGNYQRSA-N 2 0 299.418 2.100 20 30 CEEDRP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000049555225 622558243 /nfs/dbraw/zinc/55/82/43/622558243.db2.gz PPVNMRAWPNBSFK-QGZVFWFLSA-N 2 0 287.407 2.056 20 30 CEEDRP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001024534961 625605029 /nfs/dbraw/zinc/60/50/29/625605029.db2.gz MPDSRAMBYDWLQL-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000157397324 624976079 /nfs/dbraw/zinc/97/60/79/624976079.db2.gz MWBUJTLYBVMZTI-HZPDHXFCSA-N 2 0 294.487 2.401 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H](CC(C)C)[NH+](CC)CC ZINC000104160916 628630335 /nfs/dbraw/zinc/63/03/35/628630335.db2.gz FDJSCLMGBVFLKZ-AWEZNQCLSA-N 2 0 268.449 2.223 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000237446028 631676380 /nfs/dbraw/zinc/67/63/80/631676380.db2.gz OQAPTUFKOPILJZ-ZIAGYGMSSA-N 2 0 275.396 2.407 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000817971623 633815179 /nfs/dbraw/zinc/81/51/79/633815179.db2.gz OLLWGRRHGWMKFZ-UMVBOHGHSA-N 2 0 273.380 2.380 20 30 CEEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000817982972 633825975 /nfs/dbraw/zinc/82/59/75/633825975.db2.gz XCRIWCUAKADZEC-CABCVRRESA-N 2 0 254.418 2.480 20 30 CEEDRP C[C@H](C#N)OCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937813 634881871 /nfs/dbraw/zinc/88/18/71/634881871.db2.gz AKGKKTHSYQBTAO-KFWWJZLASA-N 2 0 279.428 2.158 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708293 638384548 /nfs/dbraw/zinc/38/45/48/638384548.db2.gz VPXKZNNGXNCDRD-CABCVRRESA-N 2 0 283.460 2.262 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1[C@@H](CC[NH+](C)C)CCC[C@@H]1C ZINC000912649301 638754007 /nfs/dbraw/zinc/75/40/07/638754007.db2.gz SAXFVZGBSWGPDY-JKSUJKDBSA-N 2 0 295.471 2.216 20 30 CEEDRP COc1cc(C[NH2+]CCCCCC[NH3+])ccc1C#N ZINC000843129918 640296577 /nfs/dbraw/zinc/29/65/77/640296577.db2.gz UKVDDCRNLZXTDB-UHFFFAOYSA-N 2 0 261.369 2.176 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843339943 640393916 /nfs/dbraw/zinc/39/39/16/640393916.db2.gz FEKWSDKWCMMVDZ-ARFHVFGLSA-N 2 0 285.391 2.067 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000922138695 642899748 /nfs/dbraw/zinc/89/97/48/642899748.db2.gz CAHPHVREBZMVBB-LBPRGKRZSA-N 2 0 259.397 2.462 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923388054 643692409 /nfs/dbraw/zinc/69/24/09/643692409.db2.gz NAWJILFOZRWIGS-CVEARBPZSA-N 2 0 266.429 2.025 20 30 CEEDRP C=CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592690 644695435 /nfs/dbraw/zinc/69/54/35/644695435.db2.gz VVZRCHKOIBXPHZ-INIZCTEOSA-N 2 0 275.396 2.172 20 30 CEEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000766223598 645860265 /nfs/dbraw/zinc/86/02/65/645860265.db2.gz RJVAOXLXKPNVAT-JKSUJKDBSA-N 2 0 266.429 2.126 20 30 CEEDRP C#CCC[NH+]1CCN(c2cc[nH+]c3cc(OC)ccc32)CC1 ZINC000774529173 646858510 /nfs/dbraw/zinc/85/85/10/646858510.db2.gz OWWQJYIBVWAECD-UHFFFAOYSA-N 2 0 295.386 2.389 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290653 649628902 /nfs/dbraw/zinc/62/89/02/649628902.db2.gz FMJNXEIEFTUAFX-HUUCEWRRSA-N 2 0 266.429 2.480 20 30 CEEDRP C=C(Br)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878864711 651192615 /nfs/dbraw/zinc/19/26/15/651192615.db2.gz LUYTXUCTOCWTJD-UHFFFAOYSA-N 2 0 273.218 2.313 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)[C@@H]1CCCO1 ZINC000883173164 652389122 /nfs/dbraw/zinc/38/91/22/652389122.db2.gz DMAGRUIOSKIPFI-PMPSAXMXSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000883434747 652469117 /nfs/dbraw/zinc/46/91/17/652469117.db2.gz ZUBCMHPTRKEJSO-XQLPTFJDSA-N 2 0 252.402 2.169 20 30 CEEDRP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001271886659 806127759 /nfs/dbraw/zinc/12/77/59/806127759.db2.gz VBIJCLMMYUNUNZ-HZPDHXFCSA-N 2 0 295.471 2.025 20 30 CEEDRP N#Cc1cccc(OCC[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC001168362728 806741614 /nfs/dbraw/zinc/74/16/14/806741614.db2.gz FDNUBMZRPGSVEY-UHFFFAOYSA-N 2 0 299.418 2.401 20 30 CEEDRP CCCCCCC/C=C/C[NH+]1CCN(CC[NH3+])CC1 ZINC001209976638 802611405 /nfs/dbraw/zinc/61/14/05/802611405.db2.gz UTTLCRMNCGXGIW-CMDGGOBGSA-N 2 0 267.461 2.479 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001266551982 802708654 /nfs/dbraw/zinc/70/86/54/802708654.db2.gz HHWQISIZPDTDOT-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001266897266 802976505 /nfs/dbraw/zinc/97/65/05/802976505.db2.gz MBGYJKCENZWYSQ-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001267961205 803851965 /nfs/dbraw/zinc/85/19/65/803851965.db2.gz YVXATPJMWDSGGE-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC001118060068 814981578 /nfs/dbraw/zinc/98/15/78/814981578.db2.gz VLEXIPZMGKMWBX-STQMWFEESA-N 2 0 261.369 2.095 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001268238699 804566826 /nfs/dbraw/zinc/56/68/26/804566826.db2.gz KAQZQBODHUDMKY-MRXNPFEDSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203456272 808511612 /nfs/dbraw/zinc/51/16/12/808511612.db2.gz UICBQMSIVCYILV-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP CC(C)C[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC001120596974 815243323 /nfs/dbraw/zinc/24/33/23/815243323.db2.gz NTZJNVLZOPCLFW-KRWDZBQOSA-N 2 0 289.423 2.159 20 30 CEEDRP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1C#N ZINC000700701849 809337002 /nfs/dbraw/zinc/33/70/02/809337002.db2.gz MWIUEZWHWSMDTH-WBVHZDCISA-N 2 0 269.392 2.250 20 30 CEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899488 809446827 /nfs/dbraw/zinc/44/68/27/809446827.db2.gz ZLMZVKHPMKNVBN-INIZCTEOSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034797410 809697010 /nfs/dbraw/zinc/69/70/10/809697010.db2.gz ZUAKAXOSOXPXLU-LDKKBFSKSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001273165788 810076755 /nfs/dbraw/zinc/07/67/55/810076755.db2.gz DXMVHCBRGGJDRI-HNNXBMFYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001122103474 815385132 /nfs/dbraw/zinc/38/51/32/815385132.db2.gz LOCHHNGPNHTWLJ-OAHLLOKOSA-N 2 0 293.455 2.147 20 30 CEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385899 811604156 /nfs/dbraw/zinc/60/41/56/811604156.db2.gz AFZGYIHFNJZYTB-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571578 812279771 /nfs/dbraw/zinc/27/97/71/812279771.db2.gz WJMNWFCHQXYZPP-INIZCTEOSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157886480 812512906 /nfs/dbraw/zinc/51/29/06/812512906.db2.gz HWSDKCVDWJFFNI-JKSUJKDBSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710857 812600489 /nfs/dbraw/zinc/60/04/89/812600489.db2.gz HDXNBLCKYVDDSF-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1occc1C[NH+](C)C ZINC001132983905 812967582 /nfs/dbraw/zinc/96/75/82/812967582.db2.gz PEWMJLSHMSYNIE-CYBMUJFWSA-N 2 0 293.411 2.015 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833807 813162358 /nfs/dbraw/zinc/16/23/58/813162358.db2.gz GRKRGRFOHGSVBS-OAHLLOKOSA-N 2 0 283.460 2.147 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768720 813518749 /nfs/dbraw/zinc/51/87/49/813518749.db2.gz SFXKZQSBVRPSEZ-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP C[Si](C)(C)C#Cc1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170900849 813626234 /nfs/dbraw/zinc/62/62/34/813626234.db2.gz QRJWLJBEYDNASC-HNNXBMFYSA-N 2 0 275.472 2.351 20 30 CEEDRP CC1(C#N)CCC([N@@H+]2CCC(F)(F)[C@H](C[NH3+])C2)CC1 ZINC001246554847 814027489 /nfs/dbraw/zinc/02/74/89/814027489.db2.gz DYHZJJMTAKEYIP-PNESKVBLSA-N 2 0 271.355 2.375 20 30 CEEDRP C#Cc1ccc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)cc1 ZINC001144567621 814116773 /nfs/dbraw/zinc/11/67/73/814116773.db2.gz VJJMMVZTKOWQFE-UHFFFAOYSA-N 2 0 299.462 2.127 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701717 814305948 /nfs/dbraw/zinc/30/59/48/814305948.db2.gz OLJTXHOSXCNQKQ-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCOC1CCC([N@@H+](C)CCC[NH+](C)C)CC1 ZINC001173319845 815692939 /nfs/dbraw/zinc/69/29/39/815692939.db2.gz YBCCYQWFSWRICK-UHFFFAOYSA-N 2 0 254.418 2.384 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273417 816167376 /nfs/dbraw/zinc/16/73/76/816167376.db2.gz RLBGHYNBOUMWHF-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176997288 816506591 /nfs/dbraw/zinc/50/65/91/816506591.db2.gz JSEDDMGNAZUHRU-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001178698731 816785711 /nfs/dbraw/zinc/78/57/11/816785711.db2.gz SAAUMAWXUXEMQJ-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337837 816857532 /nfs/dbraw/zinc/85/75/32/816857532.db2.gz ZENMEANQCIIDBE-JYJNAYRXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179591286 816880882 /nfs/dbraw/zinc/88/08/82/816880882.db2.gz SOZJBIGNCRMVMV-HOTGVXAUSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128323344 365783777 /nfs/dbraw/zinc/78/37/77/365783777.db2.gz MYSRWPYMMKCHLM-HZPDHXFCSA-N 2 0 267.461 2.204 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602512994 347062687 /nfs/dbraw/zinc/06/26/87/347062687.db2.gz YUEDWBGMWVJYFN-GJZGRUSLSA-N 2 0 291.439 2.159 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000592470974 345358249 /nfs/dbraw/zinc/35/82/49/345358249.db2.gz QKTVVGLRMCHFMV-ARFHVFGLSA-N 2 0 285.391 2.045 20 30 CEEDRP C[C@H]([NH3+])C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595894795 345908823 /nfs/dbraw/zinc/90/88/23/345908823.db2.gz XILXWCVAZVPSKZ-ZDUSSCGKSA-N 2 0 257.381 2.160 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000595896338 345909205 /nfs/dbraw/zinc/90/92/05/345909205.db2.gz KINDBTUBNJENBI-IRXDYDNUSA-N 2 0 269.392 2.162 20 30 CEEDRP N#C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000061891803 362697152 /nfs/dbraw/zinc/69/71/52/362697152.db2.gz WVYPTRHNUINBDN-CJNGLKHVSA-N 2 0 270.380 2.332 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000600768307 346686321 /nfs/dbraw/zinc/68/63/21/346686321.db2.gz HMIWTWKHCKLLQR-IUODEOHRSA-N 2 0 259.353 2.115 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)o1 ZINC000600769876 346687157 /nfs/dbraw/zinc/68/71/57/346687157.db2.gz UHUUAFUXHLMYPU-AWEZNQCLSA-N 2 0 273.380 2.363 20 30 CEEDRP CC(C)[NH+]1CCC(N2CC[NH+](CCCCC#N)CC2)CC1 ZINC000336842237 365915522 /nfs/dbraw/zinc/91/55/22/365915522.db2.gz RIAWMTOJHBBFKI-UHFFFAOYSA-N 2 0 292.471 2.171 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000310675847 540349668 /nfs/dbraw/zinc/34/96/68/540349668.db2.gz PJIYGEAOVJXCHN-SOUVJXGZSA-N 2 0 252.402 2.089 20 30 CEEDRP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848830 366405979 /nfs/dbraw/zinc/40/59/79/366405979.db2.gz HZFYHIVIHVVQBF-KBXCAEBGSA-N 2 0 299.418 2.290 20 30 CEEDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCSCC#N)C1 ZINC000081516914 363722924 /nfs/dbraw/zinc/72/29/24/363722924.db2.gz NSRMHHPXZAVVJS-AWEZNQCLSA-N 2 0 269.458 2.297 20 30 CEEDRP C=C(C)[C@@H](CO)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000677477622 541018207 /nfs/dbraw/zinc/01/82/07/541018207.db2.gz ONHUZAFUWCSSGA-MRXNPFEDSA-N 2 0 268.445 2.367 20 30 CEEDRP CCC#C[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680431957 541412763 /nfs/dbraw/zinc/41/27/63/541412763.db2.gz ZBUVJIDNFAISKI-KRWDZBQOSA-N 2 0 291.483 2.138 20 30 CEEDRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1C#N ZINC000335878080 365104267 /nfs/dbraw/zinc/10/42/67/365104267.db2.gz QDGPSMOOAKASHR-CJNGLKHVSA-N 2 0 257.381 2.439 20 30 CEEDRP C=CCc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636919 368745681 /nfs/dbraw/zinc/74/56/81/368745681.db2.gz IFOPCEMGQOEHHA-SWLSCSKDSA-N 2 0 290.407 2.298 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)ccc1C#N ZINC000234974619 370552113 /nfs/dbraw/zinc/55/21/13/370552113.db2.gz FBPREGFIHBSKAD-ZDUSSCGKSA-N 2 0 273.380 2.128 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247491509 371116303 /nfs/dbraw/zinc/11/63/03/371116303.db2.gz ROJBSGSQYHCMLU-HZPDHXFCSA-N 2 0 266.429 2.264 20 30 CEEDRP C=CCCCCC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639767821 371554809 /nfs/dbraw/zinc/55/48/09/371554809.db2.gz TXAVJKLASPWCIJ-OAHLLOKOSA-N 2 0 254.418 2.121 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000262003812 371796688 /nfs/dbraw/zinc/79/66/88/371796688.db2.gz QRBXNADUOJUKFF-UHFFFAOYSA-N 2 0 298.500 2.051 20 30 CEEDRP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1ccc2c(c1)CCC2 ZINC000264080751 371965468 /nfs/dbraw/zinc/96/54/68/371965468.db2.gz IJUHYTOTSNPPHU-UHFFFAOYSA-N 2 0 286.423 2.388 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264090208 371966983 /nfs/dbraw/zinc/96/69/83/371966983.db2.gz KQDGGIGTNIFJSJ-HNNXBMFYSA-N 2 0 274.412 2.460 20 30 CEEDRP CC[NH+](CC)Cc1cccc(CNC(NC2CC2)=[NH+]C)c1 ZINC000264085671 371967624 /nfs/dbraw/zinc/96/76/24/371967624.db2.gz VLPZKPFBQPVITM-UHFFFAOYSA-N 2 0 288.439 2.356 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000264105572 371971137 /nfs/dbraw/zinc/97/11/37/371971137.db2.gz PKCFVIHUPIUFED-ZDUSSCGKSA-N 2 0 290.411 2.296 20 30 CEEDRP C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000312681903 376723851 /nfs/dbraw/zinc/72/38/51/376723851.db2.gz LCQMYWNXDAZXAK-MRXNPFEDSA-N 2 0 273.355 2.225 20 30 CEEDRP Cn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000290373896 376752150 /nfs/dbraw/zinc/75/21/50/376752150.db2.gz HQYFXNHBIOKZRW-MRXNPFEDSA-N 2 0 286.423 2.060 20 30 CEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328651843 376871905 /nfs/dbraw/zinc/87/19/05/376871905.db2.gz WBPVKIQXVZKOMC-GOEBONIOSA-N 2 0 276.428 2.311 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000423099621 376992762 /nfs/dbraw/zinc/99/27/62/376992762.db2.gz LZWKQWRAXKHUCL-XJKSGUPXSA-N 2 0 257.381 2.078 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423105553 376998477 /nfs/dbraw/zinc/99/84/77/376998477.db2.gz QSSXNZONJHGZDV-CVEARBPZSA-N 2 0 257.381 2.208 20 30 CEEDRP CN(CC#CCN(C)Cc1ccccn1)Cc1ccccn1 ZINC000295240653 378066474 /nfs/dbraw/zinc/06/64/74/378066474.db2.gz XZILXOHXDAGINU-UHFFFAOYSA-N 2 0 294.402 2.044 20 30 CEEDRP C[C@H]([NH2+]C(C)(C)CNC1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000262682159 394623289 /nfs/dbraw/zinc/62/32/89/394623289.db2.gz WRGZDCNEZAHVBR-STQMWFEESA-N 2 0 274.412 2.053 20 30 CEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339202063 394950405 /nfs/dbraw/zinc/95/04/05/394950405.db2.gz GQXFZPPSPUSVBI-DLBZAZTESA-N 2 0 292.471 2.028 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987681 394999827 /nfs/dbraw/zinc/99/98/27/394999827.db2.gz UJXJPQWECWHXIS-VYDXJSESSA-N 2 0 279.472 2.345 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000289328628 395074849 /nfs/dbraw/zinc/07/48/49/395074849.db2.gz UPZGCRFAUDGRNP-IBGZPJMESA-N 2 0 299.462 2.030 20 30 CEEDRP C=CCOc1ccc(CN2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347004678 395116377 /nfs/dbraw/zinc/11/63/77/395116377.db2.gz AMURVMLMLLUQAR-HNNXBMFYSA-N 2 0 290.407 2.301 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000651674425 401369706 /nfs/dbraw/zinc/36/97/06/401369706.db2.gz OTCZWYXDWIOSEN-HOTGVXAUSA-N 2 0 279.472 2.347 20 30 CEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657454186 414946264 /nfs/dbraw/zinc/94/62/64/414946264.db2.gz FJZUZYIWZORRAU-WMLDXEAASA-N 2 0 298.390 2.338 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657454184 414946733 /nfs/dbraw/zinc/94/67/33/414946733.db2.gz FJZUZYIWZORRAU-PBHICJAKSA-N 2 0 298.390 2.338 20 30 CEEDRP C=CCCC[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000653688129 415075269 /nfs/dbraw/zinc/07/52/69/415075269.db2.gz GNXZTUMLEDETSD-CQSZACIVSA-N 2 0 252.402 2.138 20 30 CEEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000657987710 415145614 /nfs/dbraw/zinc/14/56/14/415145614.db2.gz SYSCHQCHTMNQET-LSDHHAIUSA-N 2 0 254.418 2.289 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666950848 419487348 /nfs/dbraw/zinc/48/73/48/419487348.db2.gz MBOZXGWXEYXTKY-MRXNPFEDSA-N 2 0 272.392 2.483 20 30 CEEDRP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)cc2)CC1 ZINC000299151059 260173227 /nfs/dbraw/zinc/17/32/27/260173227.db2.gz MNNOFPVKLOACJE-UHFFFAOYSA-N 2 0 299.418 2.032 20 30 CEEDRP CN(C(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000273319971 263015308 /nfs/dbraw/zinc/01/53/08/263015308.db2.gz FVBOOMUHVFWUQA-UHFFFAOYSA-N 2 0 286.423 2.191 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000414910724 263117335 /nfs/dbraw/zinc/11/73/35/263117335.db2.gz GAWJHUBZDJHSNE-HNNXBMFYSA-N 2 0 260.381 2.483 20 30 CEEDRP C=CCOc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357101850 266248657 /nfs/dbraw/zinc/24/86/57/266248657.db2.gz FEDSSVMVZOPTPX-HZPDHXFCSA-N 2 0 272.392 2.293 20 30 CEEDRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCC#N)CC2)C1CC1 ZINC000362617606 267024835 /nfs/dbraw/zinc/02/48/35/267024835.db2.gz RVNNPRALWQGGOT-AWEZNQCLSA-N 2 0 261.413 2.486 20 30 CEEDRP CN(C)C(=[NH+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)N(C)C ZINC000370163359 267295903 /nfs/dbraw/zinc/29/59/03/267295903.db2.gz SJLALFCEHXSQEL-TZMCWYRMSA-N 2 0 294.468 2.220 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC#N ZINC000370644249 267334191 /nfs/dbraw/zinc/33/41/91/267334191.db2.gz FKGIOUKJYLVZFX-OAGGEKHMSA-N 2 0 279.428 2.159 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC#N ZINC000370644251 267334043 /nfs/dbraw/zinc/33/40/43/267334043.db2.gz FKGIOUKJYLVZFX-PMPSAXMXSA-N 2 0 279.428 2.159 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000332384420 274923610 /nfs/dbraw/zinc/92/36/10/274923610.db2.gz IOGMFKVCVWAPFD-WBVHZDCISA-N 2 0 298.434 2.387 20 30 CEEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1cc(F)ccc1F ZINC000262331782 328149087 /nfs/dbraw/zinc/14/90/87/328149087.db2.gz YFUAFMLGNKRSAI-SNVBAGLBSA-N 2 0 294.349 2.176 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414968246 328283966 /nfs/dbraw/zinc/28/39/66/328283966.db2.gz YHCLKPLCBGETEP-UKRRQHHQSA-N 2 0 290.407 2.348 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248717507 329897693 /nfs/dbraw/zinc/89/76/93/329897693.db2.gz BZJGYNBOFNTLSD-QLFBSQMISA-N 2 0 267.417 2.015 20 30 CEEDRP CC[NH+]=C(NCC1(C)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262420378 330009256 /nfs/dbraw/zinc/00/92/56/330009256.db2.gz QWNIFSKRLJASBZ-HNNXBMFYSA-N 2 0 292.471 2.170 20 30 CEEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1cccs1 ZINC000262672570 330025823 /nfs/dbraw/zinc/02/58/23/330025823.db2.gz PZELAYAVIWXHBH-BXUZGUMPSA-N 2 0 292.452 2.198 20 30 CEEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000262707860 330028163 /nfs/dbraw/zinc/02/81/63/330028163.db2.gz BYLLFLLCVQFTFI-HIFRSBDPSA-N 2 0 278.444 2.050 20 30 CEEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000262707857 330028193 /nfs/dbraw/zinc/02/81/93/330028193.db2.gz BYLLFLLCVQFTFI-DZGCQCFKSA-N 2 0 278.444 2.050 20 30 CEEDRP C=C(C)CN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC ZINC000580445572 330139407 /nfs/dbraw/zinc/13/94/07/330139407.db2.gz KMFFZFMEHKSPHD-KRWDZBQOSA-N 2 0 276.424 2.377 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000424389304 330349981 /nfs/dbraw/zinc/34/99/81/330349981.db2.gz ZZZPIIWQXJDBQC-RBZJEDDUSA-N 2 0 264.413 2.088 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1 ZINC000045946430 330350022 /nfs/dbraw/zinc/35/00/22/330350022.db2.gz MRNRAPWKIFXJCL-MRXNPFEDSA-N 2 0 272.392 2.273 20 30 CEEDRP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000491070391 332145884 /nfs/dbraw/zinc/14/58/84/332145884.db2.gz BHZGPHWXMJBGIP-IEBWSBKVSA-N 2 0 299.462 2.367 20 30 CEEDRP C#C[C@H](CC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000491769062 332336363 /nfs/dbraw/zinc/33/63/63/332336363.db2.gz LJYGGVGDJXOTDP-CQSZACIVSA-N 2 0 254.337 2.077 20 30 CEEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000733902102 574690091 /nfs/dbraw/zinc/69/00/91/574690091.db2.gz LLTQAOHLADFART-OCCSQVGLSA-N 2 0 261.373 2.157 20 30 CEEDRP C=C(C)C[NH+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000968780167 613307226 /nfs/dbraw/zinc/30/72/26/613307226.db2.gz AAAQCDWTDLOVLK-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981621472 613312052 /nfs/dbraw/zinc/31/20/52/613312052.db2.gz BVYHHAPQAPFXHO-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000963564092 613859664 /nfs/dbraw/zinc/85/96/64/613859664.db2.gz NWFQTTDPZWGFEJ-UYSNPLJNSA-N 2 0 293.455 2.016 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@](C)(CC)C1 ZINC000261740472 623440409 /nfs/dbraw/zinc/44/04/09/623440409.db2.gz KPEFKZTVZMSFGZ-HOCLYGCPSA-N 2 0 280.460 2.026 20 30 CEEDRP C[NH+]1CCC(CN(CCC#N)Cc2cccnc2)CC1 ZINC000891457818 623719300 /nfs/dbraw/zinc/71/93/00/623719300.db2.gz AOAWITCLPYSFMW-UHFFFAOYSA-N 2 0 272.396 2.139 20 30 CEEDRP CCCCCCCC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000311338517 627642485 /nfs/dbraw/zinc/64/24/85/627642485.db2.gz HDRRKCUWCMMVIS-INIZCTEOSA-N 2 0 267.461 2.326 20 30 CEEDRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1C#N ZINC000902363551 634618711 /nfs/dbraw/zinc/61/87/11/634618711.db2.gz WPUVGFKIEIQUHP-HNNXBMFYSA-N 2 0 287.407 2.435 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)cc1C#N ZINC000925843210 628945241 /nfs/dbraw/zinc/94/52/41/628945241.db2.gz ZZENVQAZIXTLNI-LSDHHAIUSA-N 2 0 255.365 2.226 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCCC[N@H+](C)C1CCCCC1 ZINC000303258268 629658528 /nfs/dbraw/zinc/65/85/28/629658528.db2.gz KPWZXHGPVGYOPI-CYBMUJFWSA-N 2 0 268.449 2.344 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@H](C)CCCC(C)C)C1 ZINC000303907630 631093765 /nfs/dbraw/zinc/09/37/65/631093765.db2.gz WZSKRSQQYAQVJX-HUUCEWRRSA-N 2 0 282.476 2.447 20 30 CEEDRP C#C[C@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809683974 632126871 /nfs/dbraw/zinc/12/68/71/632126871.db2.gz UDKZQSHRBDRIIX-HNNXBMFYSA-N 2 0 272.392 2.273 20 30 CEEDRP C#C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000809685842 632126881 /nfs/dbraw/zinc/12/68/81/632126881.db2.gz UWELSNIKUSRNST-GOSISDBHSA-N 2 0 285.435 2.186 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000815652568 633043756 /nfs/dbraw/zinc/04/37/56/633043756.db2.gz IGMHHWBWDXKQIL-MJGOQNOKSA-N 2 0 299.462 2.052 20 30 CEEDRP C=CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccncc1 ZINC000817893674 633755666 /nfs/dbraw/zinc/75/56/66/633755666.db2.gz GLPYOWJKWSYXLB-GJZGRUSLSA-N 2 0 263.385 2.042 20 30 CEEDRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817919478 633777936 /nfs/dbraw/zinc/77/79/36/633777936.db2.gz RLZZZLLGQRIWMR-CYBMUJFWSA-N 2 0 261.369 2.196 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC[NH2+]CC)cc1 ZINC000817943138 633790387 /nfs/dbraw/zinc/79/03/87/633790387.db2.gz JCTWZTZDORYCME-AWEZNQCLSA-N 2 0 260.381 2.349 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000817972406 633815464 /nfs/dbraw/zinc/81/54/64/633815464.db2.gz WVPCVIRIVSBQDH-IJEWVQPXSA-N 2 0 272.392 2.490 20 30 CEEDRP N#Cc1cc(Cl)cc(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000903421410 635122903 /nfs/dbraw/zinc/12/29/03/635122903.db2.gz OCEMDIWEXVSBOK-UHFFFAOYSA-N 2 0 263.772 2.382 20 30 CEEDRP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(C#N)cs1 ZINC000903825909 635293263 /nfs/dbraw/zinc/29/32/63/635293263.db2.gz DWIUDNSSLFTEBM-GFCCVEGCSA-N 2 0 263.410 2.441 20 30 CEEDRP C=CCCC[N@@H+](CC)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903850338 635304367 /nfs/dbraw/zinc/30/43/67/635304367.db2.gz ORIVEUXHJRSZKK-CABCVRRESA-N 2 0 252.402 2.043 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1 ZINC000904411402 635619516 /nfs/dbraw/zinc/61/95/16/635619516.db2.gz VBDOCYPYOVVILM-OAHLLOKOSA-N 2 0 260.381 2.422 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]CC ZINC000876509628 650296156 /nfs/dbraw/zinc/29/61/56/650296156.db2.gz MASDAHMSYADQQU-GFCCVEGCSA-N 2 0 281.787 2.205 20 30 CEEDRP C=CCNC(NC[C@@H]1CC[N@@H+](C(C)C)C1)=[NH+]C(C)(C)C ZINC000912497329 638719420 /nfs/dbraw/zinc/71/94/20/638719420.db2.gz RAKIMAJRJQFHMV-AWEZNQCLSA-N 2 0 280.460 2.236 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1[C@H](C)C[NH+](C)C ZINC000912804080 639025431 /nfs/dbraw/zinc/02/54/31/639025431.db2.gz WSHCWBGBYWMMPS-HZPDHXFCSA-N 2 0 295.471 2.073 20 30 CEEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])Nc2ccccn2)c1 ZINC000170910140 639684875 /nfs/dbraw/zinc/68/48/75/639684875.db2.gz GWLYHBRLFVMLLF-UHFFFAOYSA-N 2 0 297.406 2.460 20 30 CEEDRP CCCCCCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843346827 640397961 /nfs/dbraw/zinc/39/79/61/640397961.db2.gz OEJZVTLPSWQOIH-MRXNPFEDSA-N 2 0 295.471 2.101 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000999306663 642477976 /nfs/dbraw/zinc/47/79/76/642477976.db2.gz LAEUFZAJIXNHJD-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856584598 644695873 /nfs/dbraw/zinc/69/58/73/644695873.db2.gz NEUVTTPAJYGNQM-KRWDZBQOSA-N 2 0 287.407 2.010 20 30 CEEDRP CC[N@H+](CCO[C@@H](C)C#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997977 645672395 /nfs/dbraw/zinc/67/23/95/645672395.db2.gz UOEHARMWOVSCRG-HNNXBMFYSA-N 2 0 289.423 2.499 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000203013710 646437446 /nfs/dbraw/zinc/43/74/46/646437446.db2.gz GHCWRAPDHHVFJK-ZFWWWQNUSA-N 2 0 268.449 2.057 20 30 CEEDRP N#Cc1ccc(N2CC[NH+](CCCCCC[NH3+])CC2)cc1 ZINC000866704221 647875735 /nfs/dbraw/zinc/87/57/35/647875735.db2.gz ROFYFGGPZGDOEO-UHFFFAOYSA-N 2 0 286.423 2.199 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])C2 ZINC000873276653 649621995 /nfs/dbraw/zinc/62/19/95/649621995.db2.gz VOICGIQXOKIRDL-UAGQMJEPSA-N 2 0 269.392 2.133 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249024 651270007 /nfs/dbraw/zinc/27/00/07/651270007.db2.gz BSMZMSGUMSLACO-OAHLLOKOSA-N 2 0 266.429 2.121 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000883188017 652393615 /nfs/dbraw/zinc/39/36/15/652393615.db2.gz BFBHCIYWWQDQJB-PMPSAXMXSA-N 2 0 266.429 2.432 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](CCC=C)[C@@H]1CCCO1 ZINC000883224156 652405535 /nfs/dbraw/zinc/40/55/35/652405535.db2.gz GLUPYRFWECEWTM-CVEARBPZSA-N 2 0 264.413 2.045 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000883433839 652468140 /nfs/dbraw/zinc/46/81/40/652468140.db2.gz ZYOACOLXBGMFEC-QEJZJMRPSA-N 2 0 252.402 2.169 20 30 CEEDRP C[NH+](C)C1CCC(NC(=[NH2+])c2ccc(C#N)cc2)CC1 ZINC001168297520 806635036 /nfs/dbraw/zinc/63/50/36/806635036.db2.gz AMQHGEZQVHWHCY-UHFFFAOYSA-N 2 0 270.380 2.136 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001088792536 806723482 /nfs/dbraw/zinc/72/34/82/806723482.db2.gz SQQFUSBCNNBROB-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895918 802976064 /nfs/dbraw/zinc/97/60/64/802976064.db2.gz UWVMCGPROSAZTA-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179836 813378981 /nfs/dbraw/zinc/37/89/81/813378981.db2.gz AFKKOZMSFMRBGG-GJZGRUSLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+][C@@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267813099 803749676 /nfs/dbraw/zinc/74/96/76/803749676.db2.gz NHQYBGXZTWQDCV-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028732 804401711 /nfs/dbraw/zinc/40/17/11/804401711.db2.gz IRMPTKMYKGLYDG-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001038904848 804512512 /nfs/dbraw/zinc/51/25/12/804512512.db2.gz XXOHRHHQZSCEBR-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028334467 804718924 /nfs/dbraw/zinc/71/89/24/804718924.db2.gz AQBZTSVEJNOGOO-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001284069850 807055585 /nfs/dbraw/zinc/05/55/85/807055585.db2.gz QUMULXLVBOVOQQ-RDJZCZTQSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CCN1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001030313425 807144094 /nfs/dbraw/zinc/14/40/94/807144094.db2.gz XBMOHDJNBDVITN-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046316306 807545456 /nfs/dbraw/zinc/54/54/56/807545456.db2.gz NUJSRVBHDNPDAK-RDJZCZTQSA-N 2 0 293.455 2.016 20 30 CEEDRP C#CCCCCCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC001119772152 815158700 /nfs/dbraw/zinc/15/87/00/815158700.db2.gz UTFAJSNHRPWULU-UHFFFAOYSA-N 2 0 260.385 2.115 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795934 810357122 /nfs/dbraw/zinc/35/71/22/810357122.db2.gz UBMYCLXTKFHLEQ-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001121909581 815365761 /nfs/dbraw/zinc/36/57/61/815365761.db2.gz VUMGCJCLGWYGLQ-CVEARBPZSA-N 2 0 295.471 2.441 20 30 CEEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCC[C@@H]1C[NH3+] ZINC001206012995 811574722 /nfs/dbraw/zinc/57/47/22/811574722.db2.gz OQTSSPLUNOWYFQ-NWDGAFQWSA-N 2 0 263.410 2.427 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)c1cccc(-n2ccnc2)c1 ZINC001170022877 811952349 /nfs/dbraw/zinc/95/23/49/811952349.db2.gz KMNUZPWYBXZCBH-UHFFFAOYSA-N 2 0 298.390 2.158 20 30 CEEDRP C=CCCC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113355589 812225604 /nfs/dbraw/zinc/22/56/04/812225604.db2.gz BXOBPURELKMZIG-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052717739 812451611 /nfs/dbraw/zinc/45/16/11/812451611.db2.gz YOXINVDELUUPTH-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CCc1ncc[nH]1 ZINC001170471798 812525446 /nfs/dbraw/zinc/52/54/46/812525446.db2.gz GCPCTXZSTFRGDK-CQSZACIVSA-N 2 0 292.427 2.183 20 30 CEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001052255162 812958458 /nfs/dbraw/zinc/95/84/58/812958458.db2.gz WRKWKRSAIXIYSY-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001052531491 813004343 /nfs/dbraw/zinc/00/43/43/813004343.db2.gz KDKIBZWYYQSFLA-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCCCNc1cccc(N2CC[NH+](C)CC2)n1 ZINC001159262344 813325034 /nfs/dbraw/zinc/32/50/34/813325034.db2.gz MTUQKGUXHSKDQM-UHFFFAOYSA-N 2 0 260.385 2.212 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135477713 813446287 /nfs/dbraw/zinc/44/62/87/813446287.db2.gz NVIXOIKRKBVEPX-OAHLLOKOSA-N 2 0 283.460 2.025 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614292 813482318 /nfs/dbraw/zinc/48/23/18/813482318.db2.gz QAACQZQKWCMKNE-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613926 813482577 /nfs/dbraw/zinc/48/25/77/813482577.db2.gz JOUUBKANLHTZCS-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080913 813540880 /nfs/dbraw/zinc/54/08/80/813540880.db2.gz DIUPFCVSKQRMEW-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977776 813580982 /nfs/dbraw/zinc/58/09/82/813580982.db2.gz YUORYAZPXBURNS-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C#CCC[NH2+]CCCNC(=O)CCC[NH+](CCC)CCC ZINC001170877082 813584209 /nfs/dbraw/zinc/58/42/09/813584209.db2.gz UEXUYQFFRHFTJE-UHFFFAOYSA-N 2 0 295.471 2.008 20 30 CEEDRP CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246032514 813665582 /nfs/dbraw/zinc/66/55/82/813665582.db2.gz YIOCKVRRFQYSEE-XHSDSOJGSA-N 2 0 268.445 2.249 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074649463 813841539 /nfs/dbraw/zinc/84/15/39/813841539.db2.gz ZJDZLFGTKHLGJF-HRCADAONSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001099215624 813994862 /nfs/dbraw/zinc/99/48/62/813994862.db2.gz XKBILDROUIZJTL-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)N1CCC(C[N@@H+](C)CCCC)CC1 ZINC001144302485 814027778 /nfs/dbraw/zinc/02/77/78/814027778.db2.gz LSRPFTONYYTJFI-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001171179850 814060047 /nfs/dbraw/zinc/06/00/47/814060047.db2.gz XRHFXRXCZIKSBK-CJNGLKHVSA-N 2 0 257.381 2.031 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001171179305 814062761 /nfs/dbraw/zinc/06/27/61/814062761.db2.gz RCTDGOWEMJHYBT-VBNZEHGJSA-N 2 0 257.381 2.349 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001171316821 814506976 /nfs/dbraw/zinc/50/69/76/814506976.db2.gz BFECVWUDKXOTPM-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP N#CCc1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206198646 815710774 /nfs/dbraw/zinc/71/07/74/815710774.db2.gz NDCQDXHFWQZPJB-HUUCEWRRSA-N 2 0 261.344 2.014 20 30 CEEDRP C[N@@H+]1CC[C@@]2(CC[NH+](C3CCC(C)(C#N)CC3)C2)C1 ZINC001173597715 815757058 /nfs/dbraw/zinc/75/70/58/815757058.db2.gz GVUMVJYLDLRKDM-UYSNPLJNSA-N 2 0 261.413 2.486 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001174960063 816116681 /nfs/dbraw/zinc/11/66/81/816116681.db2.gz DEBXSCICOHFLEQ-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001175049864 816130152 /nfs/dbraw/zinc/13/01/52/816130152.db2.gz YKNAJNBKKDPWLR-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202983410 816141046 /nfs/dbraw/zinc/14/10/46/816141046.db2.gz IYMHHVFUQOIOKT-INIZCTEOSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001178698730 816786066 /nfs/dbraw/zinc/78/60/66/816786066.db2.gz SAAUMAWXUXEMQJ-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179481171 816866706 /nfs/dbraw/zinc/86/67/06/816866706.db2.gz FKZUWUSCMMMHBQ-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516989 816868926 /nfs/dbraw/zinc/86/89/26/816868926.db2.gz KIZQUKHPZOJUCS-JYJNAYRXSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534694 816869848 /nfs/dbraw/zinc/86/98/48/816869848.db2.gz RSJXLRLWLDFTMP-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000567724070 299082210 /nfs/dbraw/zinc/08/22/10/299082210.db2.gz YXIBIRFCTUYHGF-INIZCTEOSA-N 2 0 255.365 2.135 20 30 CEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000066242222 343709600 /nfs/dbraw/zinc/70/96/00/343709600.db2.gz VMCCDKNKWLFZKX-INIZCTEOSA-N 2 0 288.439 2.006 20 30 CEEDRP C[C@@H](C#N)C[NH+](C)CCCCC[N@@H+](C)C[C@@H](C)C#N ZINC000077270093 343913977 /nfs/dbraw/zinc/91/39/77/343913977.db2.gz YHNJCMORBFIHRN-GJZGRUSLSA-N 2 0 264.417 2.340 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000602516399 347064754 /nfs/dbraw/zinc/06/47/54/347064754.db2.gz KQKQXHRFHQGHHD-OAGGEKHMSA-N 2 0 291.439 2.302 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522998 347066334 /nfs/dbraw/zinc/06/63/34/347066334.db2.gz YCBDNPNJEMFBJM-HUUCEWRRSA-N 2 0 279.428 2.017 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000404626094 344881513 /nfs/dbraw/zinc/88/15/13/344881513.db2.gz CCFBPOUMQQTUFL-QLFBSQMISA-N 2 0 273.355 2.175 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000591581806 345266661 /nfs/dbraw/zinc/26/66/61/345266661.db2.gz WFYWMSZDDRXTAP-IAQYHMDHSA-N 2 0 273.355 2.490 20 30 CEEDRP CN1CCC[C@@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595768134 345871787 /nfs/dbraw/zinc/87/17/87/345871787.db2.gz GGWPLILSAATMMT-QGZVFWFLSA-N 2 0 299.418 2.248 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000595887562 345907010 /nfs/dbraw/zinc/90/70/10/345907010.db2.gz FZCZMSSDOHUEFQ-GVDBMIGSSA-N 2 0 269.392 2.160 20 30 CEEDRP C[NH+](C)CCC[C@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000595905861 345911092 /nfs/dbraw/zinc/91/10/92/345911092.db2.gz HXZXVXKLYYLCFR-HNNXBMFYSA-N 2 0 281.444 2.359 20 30 CEEDRP C=C[C@@H](C(=O)OC)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662219 346557673 /nfs/dbraw/zinc/55/76/73/346557673.db2.gz ZPZAYGCGGKDMTD-INIZCTEOSA-N 2 0 290.407 2.298 20 30 CEEDRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600714714 346676807 /nfs/dbraw/zinc/67/68/07/346676807.db2.gz BYFFJMRTYCYOQX-INIZCTEOSA-N 2 0 293.455 2.143 20 30 CEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000600751389 346684576 /nfs/dbraw/zinc/68/45/76/346684576.db2.gz QZSNDTWIUFJIPT-CVEARBPZSA-N 2 0 293.455 2.284 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@@H](C)CCC#N ZINC000602657967 347127477 /nfs/dbraw/zinc/12/74/77/347127477.db2.gz VSWGJRPUIOOLQF-DLBZAZTESA-N 2 0 294.487 2.274 20 30 CEEDRP N#CCSCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847992 347223726 /nfs/dbraw/zinc/22/37/26/347223726.db2.gz XCVDBVFPONWHRX-UHFFFAOYSA-N 2 0 290.436 2.241 20 30 CEEDRP COc1ccc(C#N)cc1C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876185 347234876 /nfs/dbraw/zinc/23/48/76/347234876.db2.gz FTTNBXAYSOXYBU-UHFFFAOYSA-N 2 0 299.418 2.485 20 30 CEEDRP C[C@@H](CCC#N)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000618887338 349059795 /nfs/dbraw/zinc/05/97/95/349059795.db2.gz UZSUUHIIVJLZIT-IRXDYDNUSA-N 2 0 292.471 2.028 20 30 CEEDRP C#CCOc1ccccc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271873938 191382002 /nfs/dbraw/zinc/38/20/02/191382002.db2.gz YOFJCNPIXHXCNM-UHFFFAOYSA-N 2 0 270.376 2.050 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181488255 189297900 /nfs/dbraw/zinc/29/79/00/189297900.db2.gz NICXPOZJZYTREX-AWEZNQCLSA-N 2 0 275.396 2.177 20 30 CEEDRP CSC1(C[NH2+]Cc2ccc(C#N)cc2)CC[NH+](C)CC1 ZINC000353191972 219949679 /nfs/dbraw/zinc/94/96/79/219949679.db2.gz LQVXSPDZUJLBEX-UHFFFAOYSA-N 2 0 289.448 2.475 20 30 CEEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632767 367929218 /nfs/dbraw/zinc/92/92/18/367929218.db2.gz ZMHYDKLVDJMQPY-CJNGLKHVSA-N 2 0 257.381 2.031 20 30 CEEDRP CCC[N@H+](CCCCC#N)CCN1CC[NH+](CC)CC1 ZINC000344117264 368108313 /nfs/dbraw/zinc/10/83/13/368108313.db2.gz BORFPJIWOWBXHA-UHFFFAOYSA-N 2 0 280.460 2.030 20 30 CEEDRP C[NH2+]CCC1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000234354337 370535091 /nfs/dbraw/zinc/53/50/91/370535091.db2.gz RSZGMZPUWHEUGN-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP CC(C)[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000236817824 370634487 /nfs/dbraw/zinc/63/44/87/370634487.db2.gz LNSNFMZBDWYWKV-UHFFFAOYSA-N 2 0 287.407 2.399 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCSCC#N)CC[C@H]21 ZINC000248159910 371165702 /nfs/dbraw/zinc/16/57/02/371165702.db2.gz RZCUEAOXLLILQV-ZIAGYGMSSA-N 2 0 267.442 2.049 20 30 CEEDRP C=CCCC[C@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766381 371555028 /nfs/dbraw/zinc/55/50/28/371555028.db2.gz NSNPSPZBUFWVHS-GJZGRUSLSA-N 2 0 254.418 2.120 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000264104193 371970596 /nfs/dbraw/zinc/97/05/96/371970596.db2.gz NHRPMAOVHBWBNF-CQSZACIVSA-N 2 0 294.830 2.229 20 30 CEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)c1 ZINC000264133260 371975724 /nfs/dbraw/zinc/97/57/24/371975724.db2.gz YQYQTQZRGJONNB-CYBMUJFWSA-N 2 0 274.412 2.488 20 30 CEEDRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269138083 372353883 /nfs/dbraw/zinc/35/38/83/372353883.db2.gz WFBQDZZWXRPEGA-IRXDYDNUSA-N 2 0 269.392 2.474 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)CC[NH+](CC)CC)C1 ZINC000641770693 372713677 /nfs/dbraw/zinc/71/36/77/372713677.db2.gz ZUOHIHHIEZSJNS-OAGGEKHMSA-N 2 0 268.445 2.414 20 30 CEEDRP COc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000282404304 375475942 /nfs/dbraw/zinc/47/59/42/375475942.db2.gz RTVVIWLTHWUHJI-HNNXBMFYSA-N 2 0 287.407 2.340 20 30 CEEDRP C=CCCC[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420377467 376683603 /nfs/dbraw/zinc/68/36/03/376683603.db2.gz LBVBKIKCQFUGHV-LSDHHAIUSA-N 2 0 252.402 2.171 20 30 CEEDRP C[N@@H+]1CCC[C@]2(CCN(CCOc3ccccc3C#N)C2)C1 ZINC000292834816 377304540 /nfs/dbraw/zinc/30/45/40/377304540.db2.gz ASERGQNTPSKHAF-SFHVURJKSA-N 2 0 299.418 2.355 20 30 CEEDRP C=CC[N@@H+](C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000428385681 377493107 /nfs/dbraw/zinc/49/31/07/377493107.db2.gz QZIPTWYVAIGTRH-UHFFFAOYSA-N 2 0 273.424 2.446 20 30 CEEDRP N#Cc1cccc(C2([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000567179637 377812312 /nfs/dbraw/zinc/81/23/12/377812312.db2.gz NMCAEWUTHWMXMJ-HUUCEWRRSA-N 2 0 255.365 2.407 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(C)ncc3C2)C1 ZINC000329508289 394568871 /nfs/dbraw/zinc/56/88/71/394568871.db2.gz JGNGNYPDUHXSTL-ZIAGYGMSSA-N 2 0 290.411 2.052 20 30 CEEDRP CNC(=[NH2+])NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000267464608 394680326 /nfs/dbraw/zinc/68/03/26/394680326.db2.gz WBKIIWMYALIRNY-ZFWWWQNUSA-N 2 0 276.428 2.286 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CC2 ZINC000423355893 394899270 /nfs/dbraw/zinc/89/92/70/394899270.db2.gz IXLZQLVLCISVOO-GDBMZVCRSA-N 2 0 255.365 2.277 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284023559 394940831 /nfs/dbraw/zinc/94/08/31/394940831.db2.gz OUPKKPQNXBUCFB-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP CC#CCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000155368098 395027424 /nfs/dbraw/zinc/02/74/24/395027424.db2.gz UKIHYUKLPCBXAP-HZPDHXFCSA-N 2 0 278.440 2.221 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987883 394999503 /nfs/dbraw/zinc/99/95/03/394999503.db2.gz UJXJPQWECWHXIS-HLLBOEOZSA-N 2 0 279.472 2.345 20 30 CEEDRP C[NH+]1CCC2(CCC[N@H+](CCCSCC#N)C2)CC1 ZINC000374172629 395075918 /nfs/dbraw/zinc/07/59/18/395075918.db2.gz GBWTYZGDTOUORE-UHFFFAOYSA-N 2 0 281.469 2.441 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000346995591 395115886 /nfs/dbraw/zinc/11/58/86/395115886.db2.gz BNHVDBVMUOHXPY-CJNGLKHVSA-N 2 0 260.381 2.421 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149514 395179748 /nfs/dbraw/zinc/17/97/48/395179748.db2.gz WFSXVYZBWBSFMB-CPUCHLNUSA-N 2 0 287.407 2.407 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792870 395755540 /nfs/dbraw/zinc/75/55/40/395755540.db2.gz CJPQRPNQOQSYNS-BFYDXBDKSA-N 2 0 277.456 2.005 20 30 CEEDRP Cn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000191463112 153175851 /nfs/dbraw/zinc/17/58/51/153175851.db2.gz RSCAJYRUKIORKJ-UHFFFAOYSA-N 2 0 274.412 2.107 20 30 CEEDRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000563701005 298794920 /nfs/dbraw/zinc/79/49/20/298794920.db2.gz NYLRUROZKAOUGL-LLVKDONJSA-N 2 0 261.344 2.348 20 30 CEEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000040621521 174355070 /nfs/dbraw/zinc/35/50/70/174355070.db2.gz PIBAVHXMJLTVKM-MRXNPFEDSA-N 2 0 257.381 2.378 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657883490 415112459 /nfs/dbraw/zinc/11/24/59/415112459.db2.gz YHATWBFEMWKSAL-BBWFWOEESA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665263096 415655177 /nfs/dbraw/zinc/65/51/77/415655177.db2.gz GCNAKNMYGSMGPZ-ZNMIVQPWSA-N 2 0 252.402 2.089 20 30 CEEDRP C=CCOCCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000665262969 415657057 /nfs/dbraw/zinc/65/70/57/415657057.db2.gz CXLGVQMHWDOGQJ-HUUCEWRRSA-N 2 0 254.418 2.480 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285171 415676407 /nfs/dbraw/zinc/67/64/07/415676407.db2.gz FSOUOZMQUUIRLH-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[C@]1(C(=O)N[C@@H](C)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662658920 415923620 /nfs/dbraw/zinc/92/36/20/415923620.db2.gz MOXJVATZBBYOPW-DOTOQJQBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[C@]1(C(=O)NCCC[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000662666863 415925519 /nfs/dbraw/zinc/92/55/19/415925519.db2.gz WOCJJYCTGCCFDK-QGZVFWFLSA-N 2 0 293.455 2.067 20 30 CEEDRP C[NH+](C)CCOC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000353527389 228115381 /nfs/dbraw/zinc/11/53/81/228115381.db2.gz CYNHXMHFUQWTJK-UHFFFAOYSA-N 2 0 281.444 2.359 20 30 CEEDRP C=C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337262416 262442676 /nfs/dbraw/zinc/44/26/76/262442676.db2.gz YUJPTPRLUPFPSY-UHFFFAOYSA-N 2 0 265.445 2.055 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000264084433 262866882 /nfs/dbraw/zinc/86/68/82/262866882.db2.gz JLDPGNNAUXEDEV-MRXNPFEDSA-N 2 0 288.439 2.384 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761859 263390364 /nfs/dbraw/zinc/39/03/64/263390364.db2.gz VXQBCXUBQLJULI-PMPSAXMXSA-N 2 0 291.439 2.159 20 30 CEEDRP C=CCOc1cccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357101848 266248478 /nfs/dbraw/zinc/24/84/78/266248478.db2.gz FEDSSVMVZOPTPX-HOTGVXAUSA-N 2 0 272.392 2.293 20 30 CEEDRP C[C@H](CCC#N)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000351266899 298364548 /nfs/dbraw/zinc/36/45/48/298364548.db2.gz GRRDTNURBJSQMB-OAHLLOKOSA-N 2 0 279.428 2.255 20 30 CEEDRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000566095203 327133196 /nfs/dbraw/zinc/13/31/96/327133196.db2.gz GBYWBHWFQKIJNT-DZGCQCFKSA-N 2 0 281.363 2.358 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261563084 329971098 /nfs/dbraw/zinc/97/10/98/329971098.db2.gz GVLISLBGNIXUCU-RRFJBIMHSA-N 2 0 252.402 2.089 20 30 CEEDRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1cc(F)ccc1F)C1CC1 ZINC000262301887 330005095 /nfs/dbraw/zinc/00/50/95/330005095.db2.gz QLIDRIPUFJRGNC-CYBMUJFWSA-N 2 0 282.338 2.032 20 30 CEEDRP C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000262707864 330028338 /nfs/dbraw/zinc/02/83/38/330028338.db2.gz BYLLFLLCVQFTFI-ZFWWWQNUSA-N 2 0 278.444 2.050 20 30 CEEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423046960 330167019 /nfs/dbraw/zinc/16/70/19/330167019.db2.gz FLPNYARBZKGTFX-RRFJBIMHSA-N 2 0 252.402 2.089 20 30 CEEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423126088 330171429 /nfs/dbraw/zinc/17/14/29/330171429.db2.gz APNVAEOFBMFWPJ-RRFJBIMHSA-N 2 0 266.429 2.335 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423158681 330173786 /nfs/dbraw/zinc/17/37/86/330173786.db2.gz WYGYNDQEMJGARZ-XQLPTFJDSA-N 2 0 252.402 2.230 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392798 330200565 /nfs/dbraw/zinc/20/05/65/330200565.db2.gz QNUCGEZDGLZXOO-STQMWFEESA-N 2 0 293.377 2.157 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523083 330210005 /nfs/dbraw/zinc/21/00/05/330210005.db2.gz VJTQPDBYSQCAHL-JUVOFCAFSA-N 2 0 279.472 2.393 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000424291956 330335047 /nfs/dbraw/zinc/33/50/47/330335047.db2.gz MOBWWGPIJWFMQQ-ZFWWWQNUSA-N 2 0 252.402 2.042 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000521993962 333229531 /nfs/dbraw/zinc/22/95/31/333229531.db2.gz QTHWFUCJPGNASQ-RBOXIYTFSA-N 2 0 275.396 2.090 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237888443 333381913 /nfs/dbraw/zinc/38/19/13/333381913.db2.gz HIUJCKZOFWZRJW-HZPDHXFCSA-N 2 0 293.455 2.051 20 30 CEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000963564090 613859434 /nfs/dbraw/zinc/85/94/34/613859434.db2.gz NWFQTTDPZWGFEJ-GPANFISMSA-N 2 0 293.455 2.016 20 30 CEEDRP COCC#CCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000677133079 624030956 /nfs/dbraw/zinc/03/09/56/624030956.db2.gz GMDCRZQADSCMST-IAGOWNOFSA-N 2 0 278.440 2.223 20 30 CEEDRP Cc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000104174445 624320698 /nfs/dbraw/zinc/32/06/98/624320698.db2.gz HFOADUQSYCOPAN-CQSZACIVSA-N 2 0 274.412 2.454 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC[C@@H](C)C2)C1 ZINC000157397087 624975782 /nfs/dbraw/zinc/97/57/82/624975782.db2.gz MWBUJTLYBVMZTI-CVEARBPZSA-N 2 0 294.487 2.401 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000157397224 624975997 /nfs/dbraw/zinc/97/59/97/624975997.db2.gz MWBUJTLYBVMZTI-HOTGVXAUSA-N 2 0 294.487 2.401 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001020335883 627951735 /nfs/dbraw/zinc/95/17/35/627951735.db2.gz MOADUOBJCWUXFA-HDJSIYSDSA-N 2 0 298.390 2.069 20 30 CEEDRP C[NH+]1CCC(C[NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000893192415 628113214 /nfs/dbraw/zinc/11/32/14/628113214.db2.gz VZVVJPZMMJDJRY-UHFFFAOYSA-N 2 0 269.392 2.479 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925608957 628290923 /nfs/dbraw/zinc/29/09/23/628290923.db2.gz MORWGXKLTAAMCO-IKGGRYGDSA-N 2 0 291.483 2.393 20 30 CEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001026561184 628358492 /nfs/dbraw/zinc/35/84/92/628358492.db2.gz RSUTZHAMSGEQDA-QQFBHYJXSA-N 2 0 293.455 2.064 20 30 CEEDRP CC(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000104178940 628695360 /nfs/dbraw/zinc/69/53/60/628695360.db2.gz RVLRRPPADMVOOS-CYBMUJFWSA-N 2 0 268.449 2.057 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000925881714 628980847 /nfs/dbraw/zinc/98/08/47/628980847.db2.gz DZOFLJZWBFCXRS-RTXFEEFZSA-N 2 0 261.344 2.475 20 30 CEEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000895096191 629891539 /nfs/dbraw/zinc/89/15/39/629891539.db2.gz MXPGJZQQTRHLPS-KBAYOESNSA-N 2 0 292.467 2.393 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)[C@H]1C ZINC000986427785 631239713 /nfs/dbraw/zinc/23/97/13/631239713.db2.gz UKCKUWQZEOXFGW-JSGCOSHPSA-N 2 0 298.390 2.332 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCN1CCC(C)(C)C1 ZINC000898034141 632026201 /nfs/dbraw/zinc/02/62/01/632026201.db2.gz JAFMCMJUJQREAY-OAHLLOKOSA-N 2 0 293.455 2.407 20 30 CEEDRP C#C[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000809683975 632127249 /nfs/dbraw/zinc/12/72/49/632127249.db2.gz UDKZQSHRBDRIIX-OAHLLOKOSA-N 2 0 272.392 2.273 20 30 CEEDRP C[C@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000819101822 634068487 /nfs/dbraw/zinc/06/84/87/634068487.db2.gz FICAPBKALNGDFO-XJKSGUPXSA-N 2 0 289.423 2.158 20 30 CEEDRP C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cc(C#N)ccn1 ZINC000902975826 634915737 /nfs/dbraw/zinc/91/57/37/634915737.db2.gz JOZXKINLCGGWQW-ZDUSSCGKSA-N 2 0 284.407 2.478 20 30 CEEDRP N#CC1CCC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000903447086 635132754 /nfs/dbraw/zinc/13/27/54/635132754.db2.gz CZNIDVVYGZSKTK-XJCPWDRGSA-N 2 0 261.413 2.376 20 30 CEEDRP C=CC1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903729549 635240969 /nfs/dbraw/zinc/24/09/69/635240969.db2.gz OPKGTOPHQHIMSC-HNNXBMFYSA-N 2 0 264.413 2.043 20 30 CEEDRP C=CC[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765683 635258366 /nfs/dbraw/zinc/25/83/66/635258366.db2.gz KAEYMSAXTYNTQJ-JKSUJKDBSA-N 2 0 278.440 2.433 20 30 CEEDRP C=CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767335 635259441 /nfs/dbraw/zinc/25/94/41/635259441.db2.gz VPZWROGKVDTRRW-PMPSAXMXSA-N 2 0 264.413 2.043 20 30 CEEDRP C[N@H+](CCC1CC[NH2+]CC1)Cc1cc(C#N)cs1 ZINC000903827235 635294462 /nfs/dbraw/zinc/29/44/62/635294462.db2.gz QSXZUGHQIPOKMN-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP CC(C)(Cc1ccc(C#N)cc1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000903987388 635407160 /nfs/dbraw/zinc/40/71/60/635407160.db2.gz FALQJFPOXGOXDN-UHFFFAOYSA-N 2 0 269.392 2.221 20 30 CEEDRP C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312627 635560457 /nfs/dbraw/zinc/56/04/57/635560457.db2.gz LSHCCTFEJWRSOX-GASCZTMLSA-N 2 0 260.381 2.421 20 30 CEEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@@H]2CCN2C)c(O)c1 ZINC000905003906 635774490 /nfs/dbraw/zinc/77/44/90/635774490.db2.gz XYFGHVPUJNLWOU-VUVCFOEZSA-N 2 0 275.396 2.361 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]CC ZINC000876509629 650295848 /nfs/dbraw/zinc/29/58/48/650295848.db2.gz MASDAHMSYADQQU-LBPRGKRZSA-N 2 0 281.787 2.205 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CCC[NH+](CC)CC ZINC000876885982 650474068 /nfs/dbraw/zinc/47/40/68/650474068.db2.gz SGHZFVYLQKPXGT-ZDUSSCGKSA-N 2 0 289.851 2.037 20 30 CEEDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000105454453 640633556 /nfs/dbraw/zinc/63/35/56/640633556.db2.gz JGJYYFXDDXXMSQ-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP C#CCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000921741838 642568839 /nfs/dbraw/zinc/56/88/39/642568839.db2.gz JESVLGNSVCACMT-UHFFFAOYSA-N 2 0 296.317 2.183 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000375295 642596171 /nfs/dbraw/zinc/59/61/71/642596171.db2.gz CCLLGJZYJRNOKW-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000990218 642676941 /nfs/dbraw/zinc/67/69/41/642676941.db2.gz AUDGCGGDYNNHRD-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2csc(C#N)c2)C1 ZINC000922181500 642940337 /nfs/dbraw/zinc/94/03/37/642940337.db2.gz SGRVDBNTVGLDOU-LBPRGKRZSA-N 2 0 263.410 2.441 20 30 CEEDRP COCC[N@H+](C[C@H](C)CCC#N)CC1CC[NH+](C)CC1 ZINC000877664265 650839554 /nfs/dbraw/zinc/83/95/54/650839554.db2.gz LQWQXOBRMLATEW-OAHLLOKOSA-N 2 0 281.444 2.216 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000852748242 643533221 /nfs/dbraw/zinc/53/32/21/643533221.db2.gz OCIMQJDQPUDDLG-QGZVFWFLSA-N 2 0 269.392 2.176 20 30 CEEDRP C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000852753166 643537317 /nfs/dbraw/zinc/53/73/17/643537317.db2.gz AGHKIHBCFXGDQQ-UPJWGTAASA-N 2 0 258.793 2.100 20 30 CEEDRP CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923335079 643667340 /nfs/dbraw/zinc/66/73/40/643667340.db2.gz IIHIHEDLTPKBIL-IRXDYDNUSA-N 2 0 287.407 2.056 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923352296 643677120 /nfs/dbraw/zinc/67/71/20/643677120.db2.gz CQWFSBCZVYMPPJ-HNNXBMFYSA-N 2 0 254.418 2.155 20 30 CEEDRP C=CC[C@H](C(=O)OC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000877968837 650961737 /nfs/dbraw/zinc/96/17/37/650961737.db2.gz RIFKUZYZORZIPY-OAHLLOKOSA-N 2 0 282.428 2.158 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873274188 649620927 /nfs/dbraw/zinc/62/09/27/649620927.db2.gz BKDCBKOIUSNMIO-OAUYIBNBSA-N 2 0 269.392 2.003 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290589 649629023 /nfs/dbraw/zinc/62/90/23/649629023.db2.gz ALXYBIMYWCCYJU-KBPBESRZSA-N 2 0 252.402 2.089 20 30 CEEDRP C=C(C)[C@H](CO)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950307 651363874 /nfs/dbraw/zinc/36/38/74/651363874.db2.gz MLFAISUHKDHQOX-HNNXBMFYSA-N 2 0 266.429 2.264 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271540116 805988226 /nfs/dbraw/zinc/98/82/26/805988226.db2.gz PHUDCOYJNJDQNJ-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605440 806505650 /nfs/dbraw/zinc/50/56/50/806505650.db2.gz SRYOZCCPEMWAPS-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP N#Cc1ccc(C(=[NH2+])NC2CC[NH+](CC3CC3)CC2)cc1 ZINC001168356706 806685386 /nfs/dbraw/zinc/68/53/86/806685386.db2.gz TYHMPWLSRRXCLA-UHFFFAOYSA-N 2 0 282.391 2.138 20 30 CEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433634 811755158 /nfs/dbraw/zinc/75/51/58/811755158.db2.gz XGVIWSOXSKWUGK-QGZVFWFLSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492375 804090572 /nfs/dbraw/zinc/09/05/72/804090572.db2.gz NHCLCKQASJFQJB-MRXNPFEDSA-N 2 0 298.390 2.057 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027879042 804314136 /nfs/dbraw/zinc/31/41/36/804314136.db2.gz LYHPPOVXBKFGMW-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269799208 805255185 /nfs/dbraw/zinc/25/51/85/805255185.db2.gz SKNUVHCVEHIAOU-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP N#CCC1CN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167984370 805528774 /nfs/dbraw/zinc/52/87/74/805528774.db2.gz NUNGSGBBZIGDAJ-XYPWUTKMSA-N 2 0 259.397 2.237 20 30 CEEDRP C#CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC001119516257 815124215 /nfs/dbraw/zinc/12/42/15/815124215.db2.gz SLFKGSFRPVNCBR-USXIJHARSA-N 2 0 278.440 2.003 20 30 CEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159203 815141243 /nfs/dbraw/zinc/14/12/43/815141243.db2.gz DLYUDLWIIRRZTN-PMPSAXMXSA-N 2 0 293.455 2.014 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127479319 808008481 /nfs/dbraw/zinc/00/84/81/808008481.db2.gz CDHYPZULXNHKBG-MRXNPFEDSA-N 2 0 295.471 2.004 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999354523 808793596 /nfs/dbraw/zinc/79/35/96/808793596.db2.gz QHQKRQWOBXXLHX-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C/C(NC1C[C@@H]2C=C[C@H](C1)O2)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172240475 815353987 /nfs/dbraw/zinc/35/39/87/815353987.db2.gz PFTLGHJNWAPKRD-ALOPSCKCSA-N 2 0 285.391 2.139 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC001121987622 815374208 /nfs/dbraw/zinc/37/42/08/815374208.db2.gz DFYQDJVFESEHFD-OAHLLOKOSA-N 2 0 281.444 2.003 20 30 CEEDRP N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](F)CC3)c2c1 ZINC001206173260 815490077 /nfs/dbraw/zinc/49/00/77/815490077.db2.gz GFFOYILNELDCQO-LSDHHAIUSA-N 2 0 286.354 2.301 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170221973 812336778 /nfs/dbraw/zinc/33/67/78/812336778.db2.gz GOJPRUMNRYAQNV-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)CC[N@H+](C)CC ZINC001170221532 812341854 /nfs/dbraw/zinc/34/18/54/812341854.db2.gz CUKNLPWOXHJHQM-UHFFFAOYSA-N 2 0 285.476 2.395 20 30 CEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106958 812788032 /nfs/dbraw/zinc/78/80/32/812788032.db2.gz WPXFYBSZIQVUJF-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106358 812788085 /nfs/dbraw/zinc/78/80/85/812788085.db2.gz TYRNYIFSRLZAJV-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153681 812792007 /nfs/dbraw/zinc/79/20/07/812792007.db2.gz SVUYAUXKAWQHQL-GJZGRUSLSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@@H]1C ZINC001132377739 812838598 /nfs/dbraw/zinc/83/85/98/812838598.db2.gz ZUVWHLDLQZMZQD-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410658 812843800 /nfs/dbraw/zinc/84/38/00/812843800.db2.gz MSPIGGKATYGJLL-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562202 813005557 /nfs/dbraw/zinc/00/55/57/813005557.db2.gz MHZUXURPFFTREK-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369848 813261987 /nfs/dbraw/zinc/26/19/87/813261987.db2.gz SSWHJSGHYYOJEU-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995458 813582268 /nfs/dbraw/zinc/58/22/68/813582268.db2.gz FXOJEXNUTWXYDN-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP N#CCc1ccc(C(F)(F)F)cc1N[C@H]([NH3+])CCC[NH3+] ZINC001170900263 813626881 /nfs/dbraw/zinc/62/68/81/813626881.db2.gz JTNBGFNWWJSTMT-LBPRGKRZSA-N 2 0 286.301 2.207 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171173358 814053126 /nfs/dbraw/zinc/05/31/26/814053126.db2.gz AQGMMGPMHOSOGV-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173336995 815681290 /nfs/dbraw/zinc/68/12/90/815681290.db2.gz UZLKFIMPCYUXAT-GYTBAZASSA-N 2 0 261.413 2.342 20 30 CEEDRP CCN1CCO[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173594339 815755176 /nfs/dbraw/zinc/75/51/76/815755176.db2.gz ADZAHDUKKLZTSG-ORBLRFAASA-N 2 0 291.439 2.111 20 30 CEEDRP CC1(C#N)CCC([N@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591443 815755526 /nfs/dbraw/zinc/75/55/26/815755526.db2.gz JYWYFBMPPHLVMA-GZRJIHOHSA-N 2 0 291.439 2.430 20 30 CEEDRP CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206210389 815778310 /nfs/dbraw/zinc/77/83/10/815778310.db2.gz KGWHQCRPJWGZFA-CVEARBPZSA-N 2 0 275.371 2.382 20 30 CEEDRP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206210391 815779165 /nfs/dbraw/zinc/77/91/65/815779165.db2.gz KGWHQCRPJWGZFA-HOTGVXAUSA-N 2 0 275.371 2.382 20 30 CEEDRP C[N@@H+]1CCc2c(C#N)c(Nc3cc[nH+]cc3)sc2C1 ZINC001173879495 815847380 /nfs/dbraw/zinc/84/73/80/815847380.db2.gz RATMLFFLBRDVEI-UHFFFAOYSA-N 2 0 270.361 2.168 20 30 CEEDRP C#CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001175218939 816155161 /nfs/dbraw/zinc/15/51/61/816155161.db2.gz XXVQZFRXRMBODB-HOTGVXAUSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175272095 816166316 /nfs/dbraw/zinc/16/63/16/816166316.db2.gz HJBVWENGJPJKNP-HNNXBMFYSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC001178693222 816784633 /nfs/dbraw/zinc/78/46/33/816784633.db2.gz LJMJRCROYGLZHP-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP CC#CC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853698 816804238 /nfs/dbraw/zinc/80/42/38/816804238.db2.gz OOHFCPHXALUATN-UHFFFAOYSA-N 2 0 295.471 2.006 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000333345926 539323630 /nfs/dbraw/zinc/32/36/30/539323630.db2.gz USDYVKSCSAQTQA-BSWAZPDLSA-N 2 0 291.439 2.036 20 30 CEEDRP N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000311725148 344735926 /nfs/dbraw/zinc/73/59/26/344735926.db2.gz PYJTTYOTDQGNPZ-HOTGVXAUSA-N 2 0 255.365 2.119 20 30 CEEDRP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000594740523 345683429 /nfs/dbraw/zinc/68/34/29/345683429.db2.gz YQKPAOZWULPXFM-RBSFLKMASA-N 2 0 261.413 2.438 20 30 CEEDRP C[NH+]1CCN(c2cc[nH+]cc2NC2CCC(C#N)CC2)CC1 ZINC000602579817 347087006 /nfs/dbraw/zinc/08/70/06/347087006.db2.gz HOIJOIDSKKYMQD-UHFFFAOYSA-N 2 0 299.422 2.328 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000596651909 346071945 /nfs/dbraw/zinc/07/19/45/346071945.db2.gz RYRQODOPSGSBLX-GVDBMIGSSA-N 2 0 269.392 2.078 20 30 CEEDRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585447 346377366 /nfs/dbraw/zinc/37/73/66/346377366.db2.gz CYLGUXWUKUQNMH-MRXNPFEDSA-N 2 0 295.471 2.341 20 30 CEEDRP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590720 346378753 /nfs/dbraw/zinc/37/87/53/346378753.db2.gz SRBOGABDWANJPV-OAHLLOKOSA-N 2 0 281.444 2.092 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129106911 365825130 /nfs/dbraw/zinc/82/51/30/365825130.db2.gz MGINDZPGMXYCSG-WMZOPIPTSA-N 2 0 299.418 2.353 20 30 CEEDRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C#N ZINC000600712548 346675695 /nfs/dbraw/zinc/67/56/95/346675695.db2.gz YCUNXPXGSRRXGQ-QGZVFWFLSA-N 2 0 299.418 2.054 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718363 346677045 /nfs/dbraw/zinc/67/70/45/346677045.db2.gz WWQBHTLFFWPUGS-HOTGVXAUSA-N 2 0 293.455 2.285 20 30 CEEDRP C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657896 347127712 /nfs/dbraw/zinc/12/77/12/347127712.db2.gz TZPUHUYHRVYZCC-DOTOQJQBSA-N 2 0 292.471 2.027 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602786942 347198390 /nfs/dbraw/zinc/19/83/90/347198390.db2.gz ZZKCHJJHKPWMIX-OAHLLOKOSA-N 2 0 279.428 2.113 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H](C)[C@H]2CCCCO2)CC1 ZINC000623889165 350135291 /nfs/dbraw/zinc/13/52/91/350135291.db2.gz GDPCMLXDBDTBBT-DZGCQCFKSA-N 2 0 252.402 2.184 20 30 CEEDRP C=CCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCC1 ZINC000629579218 351420461 /nfs/dbraw/zinc/42/04/61/351420461.db2.gz CBMZJOXLNJSNBW-OAHLLOKOSA-N 2 0 266.429 2.169 20 30 CEEDRP C[N@@H+]1CC[C@]2(CC[NH+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111761 198167009 /nfs/dbraw/zinc/16/70/09/198167009.db2.gz JAQVRESGGALYGP-SFHVURJKSA-N 2 0 299.418 2.355 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000337321258 366142168 /nfs/dbraw/zinc/14/21/68/366142168.db2.gz PTGPMOYETCOWSR-UHFFFAOYSA-N 2 0 292.471 2.028 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000332378132 283058614 /nfs/dbraw/zinc/05/86/14/283058614.db2.gz FMQPJGBNFQHOCR-BSWAZPDLSA-N 2 0 291.439 2.036 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc(OC)c1O ZINC000414925517 540247705 /nfs/dbraw/zinc/24/77/05/540247705.db2.gz LXNDOSXKDDJKRC-HUUCEWRRSA-N 2 0 290.407 2.489 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000580080975 366748103 /nfs/dbraw/zinc/74/81/03/366748103.db2.gz ZBPAQDPDBGGEFC-QZTJIDSGSA-N 2 0 299.418 2.277 20 30 CEEDRP N#Cc1cccc(C2(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000335069776 364430362 /nfs/dbraw/zinc/43/03/62/364430362.db2.gz ROPCNYQTRWZKBV-XYPWUTKMSA-N 2 0 267.376 2.420 20 30 CEEDRP CCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908891 367445118 /nfs/dbraw/zinc/44/51/18/367445118.db2.gz IPLDKRJTMZKNPT-UHFFFAOYSA-N 2 0 274.412 2.097 20 30 CEEDRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=[NH2+])N(C)C)cc2)C1 ZINC000170911310 367447350 /nfs/dbraw/zinc/44/73/50/367447350.db2.gz GMRWNDIXDSPVEW-AWEZNQCLSA-N 2 0 288.439 2.295 20 30 CEEDRP CCCCNC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179738729 368350571 /nfs/dbraw/zinc/35/05/71/368350571.db2.gz LSRIPYSJSUOYHV-UHFFFAOYSA-N 2 0 289.427 2.002 20 30 CEEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000346685050 368768163 /nfs/dbraw/zinc/76/81/63/368768163.db2.gz IFIGHUIWENUXFY-UHFFFAOYSA-N 2 0 290.407 2.431 20 30 CEEDRP C=CCOc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000346683941 368769074 /nfs/dbraw/zinc/76/90/74/368769074.db2.gz GBYWMZUNZMCRER-UHFFFAOYSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346688652 368771548 /nfs/dbraw/zinc/77/15/48/368771548.db2.gz YFIIJQDQHVOXLG-UONOGXRCSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCCC(C)(C)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000634725441 368841317 /nfs/dbraw/zinc/84/13/17/368841317.db2.gz TYDKSTPKOMFMGS-AWEZNQCLSA-N 2 0 254.418 2.025 20 30 CEEDRP C=CCOCCC[NH+]1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000348053835 368876911 /nfs/dbraw/zinc/87/69/11/368876911.db2.gz WSXLPFBVJGCZBL-OAHLLOKOSA-N 2 0 254.418 2.243 20 30 CEEDRP C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186691474 369021065 /nfs/dbraw/zinc/02/10/65/369021065.db2.gz NINRYZGESYTWEH-HOCLYGCPSA-N 2 0 292.423 2.215 20 30 CEEDRP CCCNC(=[NH2+])NCc1ccccc1C[NH+](CC)CC ZINC000264060888 371959132 /nfs/dbraw/zinc/95/91/32/371959132.db2.gz CUHDEIVLCWBCOP-UHFFFAOYSA-N 2 0 276.428 2.343 20 30 CEEDRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269138084 372354322 /nfs/dbraw/zinc/35/43/22/372354322.db2.gz WFBQDZZWXRPEGA-SJORKVTESA-N 2 0 269.392 2.474 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000684773799 542064827 /nfs/dbraw/zinc/06/48/27/542064827.db2.gz ILSYPDIPTFPZFO-IMJJTQAJSA-N 2 0 266.429 2.288 20 30 CEEDRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000292835695 377304380 /nfs/dbraw/zinc/30/43/80/377304380.db2.gz RRPNJCHFTHPBHY-AWEZNQCLSA-N 2 0 261.394 2.147 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000436299351 377822922 /nfs/dbraw/zinc/82/29/22/377822922.db2.gz JRLXFUOKHMUWQM-WCVJEAGWSA-N 2 0 266.429 2.288 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000295075283 378040261 /nfs/dbraw/zinc/04/02/61/378040261.db2.gz SLBUYMJNQSLGNK-INIZCTEOSA-N 2 0 272.392 2.314 20 30 CEEDRP CC1(C#N)CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000449148310 378197448 /nfs/dbraw/zinc/19/74/48/378197448.db2.gz JVGUCTYMJJRNCI-CGZBRXJRSA-N 2 0 293.455 2.285 20 30 CEEDRP C[C@@H](CCC#N)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000351266898 533513145 /nfs/dbraw/zinc/51/31/45/533513145.db2.gz GRRDTNURBJSQMB-HNNXBMFYSA-N 2 0 279.428 2.255 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC000329508285 394568698 /nfs/dbraw/zinc/56/86/98/394568698.db2.gz JGNGNYPDUHXSTL-KGLIPLIRSA-N 2 0 290.411 2.052 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000103338387 394713911 /nfs/dbraw/zinc/71/39/11/394713911.db2.gz XZCRLNZHXNQMRE-OAHLLOKOSA-N 2 0 292.427 2.065 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000104172409 394718471 /nfs/dbraw/zinc/71/84/71/394718471.db2.gz SIHDSFQFIAEONN-CYBMUJFWSA-N 2 0 286.423 2.244 20 30 CEEDRP CCNC(NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)=[NH+]CC ZINC000361944857 394839088 /nfs/dbraw/zinc/83/90/88/394839088.db2.gz RCOSJWPAYYLKRC-GXTWGEPZSA-N 2 0 294.468 2.316 20 30 CEEDRP C[C@@H]([NH2+]CCOCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086198 394942078 /nfs/dbraw/zinc/94/20/78/394942078.db2.gz ZPOKLZJOTUIPIC-HUUCEWRRSA-N 2 0 279.428 2.159 20 30 CEEDRP C#CCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000372375548 395040720 /nfs/dbraw/zinc/04/07/20/395040720.db2.gz VYJOCWCRMZMIEX-IYBDPMFKSA-N 2 0 278.440 2.221 20 30 CEEDRP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000348061201 395134301 /nfs/dbraw/zinc/13/43/01/395134301.db2.gz YCHHPDOQYPJZKO-LSDHHAIUSA-N 2 0 254.418 2.241 20 30 CEEDRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000459799696 395666762 /nfs/dbraw/zinc/66/67/62/395666762.db2.gz YWIHCZSBDBRDRS-CQSZACIVSA-N 2 0 287.407 2.388 20 30 CEEDRP CC(C)[N@H+](C)CCCNCc1cc(C#N)cs1 ZINC000224158774 153321850 /nfs/dbraw/zinc/32/18/50/153321850.db2.gz XAJNYYSQRBYIID-UHFFFAOYSA-N 2 0 251.399 2.440 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000367598302 156213363 /nfs/dbraw/zinc/21/33/63/156213363.db2.gz DPENOAXGEZZTSN-BZSNNMDCSA-N 2 0 299.418 2.399 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000565043536 298871870 /nfs/dbraw/zinc/87/18/70/298871870.db2.gz FZESGNVRJZJIMQ-QZTJIDSGSA-N 2 0 299.418 2.277 20 30 CEEDRP C=CCCn1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)nn1 ZINC000657482459 414964150 /nfs/dbraw/zinc/96/41/50/414964150.db2.gz XQESGLOJEIILNY-UHFFFAOYSA-N 2 0 279.432 2.064 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000665263254 415655208 /nfs/dbraw/zinc/65/52/08/415655208.db2.gz JGMRAKITSZAMIC-OWCLPIDISA-N 2 0 266.429 2.480 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253988 415719903 /nfs/dbraw/zinc/71/99/03/415719903.db2.gz DFAKAAXHQQGXTG-CQSZACIVSA-N 2 0 252.402 2.186 20 30 CEEDRP C=CC[C@@]1(C(=O)Nc2ccc(C[NH2+]C)cc2)CCC[NH2+]1 ZINC000662783032 415960550 /nfs/dbraw/zinc/96/05/50/415960550.db2.gz MRAFJPQMTHPBRC-INIZCTEOSA-N 2 0 273.380 2.043 20 30 CEEDRP C=CCOc1cccc(C[NH2+]C2(C)CC[NH2+]CC2)c1 ZINC000414947239 263155731 /nfs/dbraw/zinc/15/57/31/263155731.db2.gz VVDTUSHLIUBTMS-UHFFFAOYSA-N 2 0 260.381 2.483 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415042612 263257300 /nfs/dbraw/zinc/25/73/00/263257300.db2.gz RCWHHPXJOJBJKQ-ZFWWWQNUSA-N 2 0 260.381 2.468 20 30 CEEDRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000519761445 267194148 /nfs/dbraw/zinc/19/41/48/267194148.db2.gz KAERAQXERXZMRG-MRXNPFEDSA-N 2 0 275.396 2.177 20 30 CEEDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399913 274377295 /nfs/dbraw/zinc/37/72/95/274377295.db2.gz VALDELMZLDMRDY-KDOFPFPSSA-N 2 0 298.434 2.115 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423513411 281057907 /nfs/dbraw/zinc/05/79/07/281057907.db2.gz RMMLBKNDKMKDOJ-COPLHBTASA-N 2 0 261.344 2.475 20 30 CEEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=[NH2+])N(C)C)C1 ZINC000264149466 328157798 /nfs/dbraw/zinc/15/77/98/328157798.db2.gz YTHZPPGGTQFHJV-CQSZACIVSA-N 2 0 288.439 2.295 20 30 CEEDRP C[C@H]1C[NH+]=C(NCc2ccccc2C[NH+]2CCCCC2)N1 ZINC000262478518 330016379 /nfs/dbraw/zinc/01/63/79/330016379.db2.gz COZWTPOMDHEXDU-AWEZNQCLSA-N 2 0 286.423 2.110 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1cccs1 ZINC000262672573 330025947 /nfs/dbraw/zinc/02/59/47/330025947.db2.gz PZELAYAVIWXHBH-SMDDNHRTSA-N 2 0 292.452 2.198 20 30 CEEDRP C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000262707862 330028205 /nfs/dbraw/zinc/02/82/05/330028205.db2.gz BYLLFLLCVQFTFI-UKRRQHHQSA-N 2 0 278.444 2.050 20 30 CEEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCCCCC1 ZINC000262790733 330031566 /nfs/dbraw/zinc/03/15/66/330031566.db2.gz MZHNZDARJDFBMT-OAHLLOKOSA-N 2 0 278.444 2.194 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422857286 330157629 /nfs/dbraw/zinc/15/76/29/330157629.db2.gz GQMDDUCSNBXIKS-IXDOHACOSA-N 2 0 277.456 2.147 20 30 CEEDRP C=C(C)COCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422994564 330163417 /nfs/dbraw/zinc/16/34/17/330163417.db2.gz VRVXTAZIJQCEMZ-GFCCVEGCSA-N 2 0 263.385 2.092 20 30 CEEDRP C=CCC(C)(C)C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423129591 330171670 /nfs/dbraw/zinc/17/16/70/330171670.db2.gz FNKAIYLDTQBSEJ-CQSZACIVSA-N 2 0 296.455 2.500 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423409627 330197042 /nfs/dbraw/zinc/19/70/42/330197042.db2.gz QPGSBQPFPQFXCL-UONOGXRCSA-N 2 0 254.418 2.193 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423409625 330197141 /nfs/dbraw/zinc/19/71/41/330197141.db2.gz QPGSBQPFPQFXCL-KBPBESRZSA-N 2 0 254.418 2.193 20 30 CEEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423559558 330211882 /nfs/dbraw/zinc/21/18/82/330211882.db2.gz TVRXVSVLGKCQRI-LFOPHDTNSA-N 2 0 261.413 2.437 20 30 CEEDRP N#CCC[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000521995425 333229479 /nfs/dbraw/zinc/22/94/79/333229479.db2.gz LRNBJMFROXBFKB-UHFFFAOYSA-N 2 0 286.423 2.092 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000248481559 334303754 /nfs/dbraw/zinc/30/37/54/334303754.db2.gz BGIGFKVRBOBWFI-USXIJHARSA-N 2 0 274.408 2.176 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(OC)c1O ZINC000577751897 335397490 /nfs/dbraw/zinc/39/74/90/335397490.db2.gz WGRJPAWQRJHTEV-VXGBXAGGSA-N 2 0 278.396 2.345 20 30 CEEDRP C=CCCCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000193422121 335970032 /nfs/dbraw/zinc/97/00/32/335970032.db2.gz GLNAQJGVUPDWFE-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1 ZINC000728711882 574468736 /nfs/dbraw/zinc/46/87/36/574468736.db2.gz PYROOZHJXIWWHE-KBPBESRZSA-N 2 0 284.363 2.352 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040448 613265973 /nfs/dbraw/zinc/26/59/73/613265973.db2.gz QAAIGQJSXDNOLY-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615811 613778946 /nfs/dbraw/zinc/77/89/46/613778946.db2.gz LJSCMRKTCYQMJS-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269554 613861557 /nfs/dbraw/zinc/86/15/57/613861557.db2.gz BMAHOFAZXQCONB-CABCVRRESA-N 2 0 293.455 2.064 20 30 CEEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000742368385 623402710 /nfs/dbraw/zinc/40/27/10/623402710.db2.gz FKBWAXYCWRFPEV-OAHLLOKOSA-N 2 0 287.407 2.388 20 30 CEEDRP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCCCC1 ZINC000933265283 623569907 /nfs/dbraw/zinc/56/99/07/623569907.db2.gz DLWCACKCWDJDDO-OAHLLOKOSA-N 2 0 266.429 2.003 20 30 CEEDRP CCC1(CC)CCN(C(NC[C@@H]2CC[N@H+](C)C2)=[NH+]C)C1 ZINC000261987263 624111306 /nfs/dbraw/zinc/11/13/06/624111306.db2.gz QLMGDBNXFBUXCW-AWEZNQCLSA-N 2 0 280.460 2.026 20 30 CEEDRP C[C@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCCCCC2)C1 ZINC000104155551 624319596 /nfs/dbraw/zinc/31/95/96/624319596.db2.gz RBBGHMHNHLUTNK-HNNXBMFYSA-N 2 0 280.460 2.299 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925654593 628361290 /nfs/dbraw/zinc/36/12/90/628361290.db2.gz GCXPYWYFQDQCBC-XFIYOXNOSA-N 2 0 278.440 2.334 20 30 CEEDRP CC1(C)[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000925725725 628632921 /nfs/dbraw/zinc/63/29/21/628632921.db2.gz NIAJVZGXDSQBMT-KRWDZBQOSA-N 2 0 298.434 2.257 20 30 CEEDRP C=CCN1CCC([NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924984901 629322167 /nfs/dbraw/zinc/32/21/67/629322167.db2.gz YMUGVQFJAUZKNO-IRXDYDNUSA-N 2 0 277.456 2.243 20 30 CEEDRP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000261972330 629407090 /nfs/dbraw/zinc/40/70/90/629407090.db2.gz DRULYSZGLHZVTI-RBSFLKMASA-N 2 0 280.460 2.296 20 30 CEEDRP CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262024959 629449123 /nfs/dbraw/zinc/44/91/23/629449123.db2.gz ZLKGBESCJYSYHP-TZMCWYRMSA-N 2 0 280.460 2.070 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC#Cc2ccccc2)C1 ZINC000894861449 629700651 /nfs/dbraw/zinc/70/06/51/629700651.db2.gz UWXAWQLDOACLMU-KRWDZBQOSA-N 2 0 256.393 2.360 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000815652567 633044007 /nfs/dbraw/zinc/04/40/07/633044007.db2.gz IGMHHWBWDXKQIL-IEBWSBKVSA-N 2 0 299.462 2.052 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000817971622 633816238 /nfs/dbraw/zinc/81/62/38/633816238.db2.gz OLLWGRRHGWMKFZ-NFAWXSAZSA-N 2 0 273.380 2.380 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000817980396 633823286 /nfs/dbraw/zinc/82/32/86/633823286.db2.gz AOZIOTNEARPZLS-DZKIICNBSA-N 2 0 272.392 2.477 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904411268 635619287 /nfs/dbraw/zinc/61/92/87/635619287.db2.gz SZYUKMCIJSRXPB-CQSZACIVSA-N 2 0 290.407 2.431 20 30 CEEDRP CCN(CC)c1ccc(/C=[NH+]/C[C@H]2CCN2C)c(O)c1 ZINC000905003904 635774947 /nfs/dbraw/zinc/77/49/47/635774947.db2.gz XYFGHVPUJNLWOU-QAEAHILHSA-N 2 0 275.396 2.361 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000908525729 637384118 /nfs/dbraw/zinc/38/41/18/637384118.db2.gz VZUHJTINTSZSFH-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C#CCCCCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000876737827 650414634 /nfs/dbraw/zinc/41/46/34/650414634.db2.gz WADHMJTWECQNRF-UHFFFAOYSA-N 2 0 280.456 2.349 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911848773 638443732 /nfs/dbraw/zinc/44/37/32/638443732.db2.gz WXTNHNKLCBJOEY-RISCZKNCSA-N 2 0 261.369 2.328 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CCC[NH+](CC)CC ZINC000876885980 650473929 /nfs/dbraw/zinc/47/39/29/650473929.db2.gz SGHZFVYLQKPXGT-CYBMUJFWSA-N 2 0 289.851 2.037 20 30 CEEDRP CC1CC[NH+](Cc2ccccc2CNC(=[NH2+])N(C)C)CC1 ZINC000170911237 639684796 /nfs/dbraw/zinc/68/47/96/639684796.db2.gz AGLKWKHOLMVFBG-UHFFFAOYSA-N 2 0 288.439 2.295 20 30 CEEDRP C#C[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847022012 641527210 /nfs/dbraw/zinc/52/72/10/641527210.db2.gz RFQQEZMFPIMQGS-QZTJIDSGSA-N 2 0 272.436 2.313 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000849024063 642237458 /nfs/dbraw/zinc/23/74/58/642237458.db2.gz PJJAXSXWFXUSBM-AWEZNQCLSA-N 2 0 292.427 2.065 20 30 CEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999225683 642470470 /nfs/dbraw/zinc/47/04/70/642470470.db2.gz ZGBAHIIKLOMGJI-UHFFFAOYSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003311023 642924375 /nfs/dbraw/zinc/92/43/75/642924375.db2.gz VQDXNNZOVSJISU-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000922323920 643028737 /nfs/dbraw/zinc/02/87/37/643028737.db2.gz UMZNHZJLQSKOQL-UHFFFAOYSA-N 2 0 295.471 2.219 20 30 CEEDRP C[N@H+](CCC[NH2+]C1CC1)CCc1cccc(C#N)c1 ZINC000923415814 643698977 /nfs/dbraw/zinc/69/89/77/643698977.db2.gz IVBBYEXOOITLRD-UHFFFAOYSA-N 2 0 257.381 2.175 20 30 CEEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1C ZINC000923485953 643732875 /nfs/dbraw/zinc/73/28/75/643732875.db2.gz ZSSRIMJULGLXTA-OAHLLOKOSA-N 2 0 289.423 2.144 20 30 CEEDRP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](CC[NH3+])C2)c1C ZINC000923485952 643733274 /nfs/dbraw/zinc/73/32/74/643733274.db2.gz ZSSRIMJULGLXTA-HNNXBMFYSA-N 2 0 289.423 2.144 20 30 CEEDRP CC#CC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856585675 644695747 /nfs/dbraw/zinc/69/57/47/644695747.db2.gz LGRRQTHNQLLCMJ-KRWDZBQOSA-N 2 0 287.407 2.010 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000878158772 651018539 /nfs/dbraw/zinc/01/85/39/651018539.db2.gz OEFQZKLRNVFIGE-GJZGRUSLSA-N 2 0 254.418 2.384 20 30 CEEDRP C#CCCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000766223587 645859805 /nfs/dbraw/zinc/85/98/05/645859805.db2.gz RJVAOXLXKPNVAT-HOTGVXAUSA-N 2 0 266.429 2.126 20 30 CEEDRP C#CCSCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000773009611 646695722 /nfs/dbraw/zinc/69/57/22/646695722.db2.gz CYWQZNXXGAQHMH-JKSUJKDBSA-N 2 0 298.496 2.079 20 30 CEEDRP C[C@@H]1CNC(NN=C2CCCC[C@@H]2[NH+]2CCCCCC2)=[NH+]1 ZINC000779791839 647353487 /nfs/dbraw/zinc/35/34/87/647353487.db2.gz LLNHDIAMNXLUDI-HIFRSBDPSA-N 2 0 291.443 2.098 20 30 CEEDRP c1nncn1[NH+]=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781115237 647501104 /nfs/dbraw/zinc/50/11/04/647501104.db2.gz KERHYSAQCUFJPD-JKSUJKDBSA-N 2 0 295.390 2.414 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000866618110 647844199 /nfs/dbraw/zinc/84/41/99/647844199.db2.gz VRFDPOCPDMBKKD-LJQANCHMSA-N 2 0 295.430 2.489 20 30 CEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001266495156 802630672 /nfs/dbraw/zinc/63/06/72/802630672.db2.gz IDFVHGQEBAGIOC-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266564880 802720909 /nfs/dbraw/zinc/72/09/09/802720909.db2.gz DVKMGWGZUMRTCJ-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179835 813379673 /nfs/dbraw/zinc/37/96/73/813379673.db2.gz AFKKOZMSFMRBGG-CABCVRRESA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407591 803219493 /nfs/dbraw/zinc/21/94/93/803219493.db2.gz OUSPAKCXJSHPRL-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP N#CCC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207436939 803610106 /nfs/dbraw/zinc/61/01/06/803610106.db2.gz XJDORJYMOQBIMX-UHFFFAOYSA-N 2 0 257.381 2.402 20 30 CEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001027492374 804092254 /nfs/dbraw/zinc/09/22/54/804092254.db2.gz NHCLCKQASJFQJB-INIZCTEOSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027884447 804318704 /nfs/dbraw/zinc/31/87/04/804318704.db2.gz ZYMVKJQCLXJKEK-HNNXBMFYSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027983639 804380053 /nfs/dbraw/zinc/38/00/53/804380053.db2.gz BUDCLTGIDKYVBV-AWEZNQCLSA-N 2 0 298.390 2.023 20 30 CEEDRP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001268876514 804993094 /nfs/dbraw/zinc/99/30/94/804993094.db2.gz JUSYKYOCOJMKCN-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001284336780 804995234 /nfs/dbraw/zinc/99/52/34/804995234.db2.gz VGFDMSIZXNKPKJ-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999706416 808799586 /nfs/dbraw/zinc/79/95/86/808799586.db2.gz JYCAWEDFPBHPSL-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033273195 809255095 /nfs/dbraw/zinc/25/50/95/809255095.db2.gz RTTJMUNBODKKNG-INIZCTEOSA-N 2 0 298.390 2.057 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796003 810356826 /nfs/dbraw/zinc/35/68/26/810356826.db2.gz UKTGCISWCGGOPK-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2nccn2CC1 ZINC001172311744 815366697 /nfs/dbraw/zinc/36/66/97/815366697.db2.gz XHSOWIMLYGXDKB-CQSZACIVSA-N 2 0 280.375 2.244 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CCCC)C1 ZINC001019632587 810725145 /nfs/dbraw/zinc/72/51/45/810725145.db2.gz RTMAMQQIZFIJFW-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038783893 810913186 /nfs/dbraw/zinc/91/31/86/810913186.db2.gz ZRKCSTGQNSCFTG-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086138667 811040537 /nfs/dbraw/zinc/04/05/37/811040537.db2.gz VEOBDWRUNBEEFL-OTVXOJSOSA-N 2 0 298.390 2.008 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086148900 811045114 /nfs/dbraw/zinc/04/51/14/811045114.db2.gz GXPQZYURHVXDDP-OTVXOJSOSA-N 2 0 298.390 2.008 20 30 CEEDRP C#Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1 ZINC001206012612 811558067 /nfs/dbraw/zinc/55/80/67/811558067.db2.gz MXOSLOHQXOPZGG-YOEHRIQHSA-N 2 0 256.393 2.475 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169809116 811675170 /nfs/dbraw/zinc/67/51/70/811675170.db2.gz FHECLTBYHATUET-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001046316304 811736564 /nfs/dbraw/zinc/73/65/64/811736564.db2.gz NUJSRVBHDNPDAK-DOTOQJQBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673295 811926448 /nfs/dbraw/zinc/92/64/48/811926448.db2.gz HPESBLSZWLBQPA-WCVJEAGWSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129423047 812492936 /nfs/dbraw/zinc/49/29/36/812492936.db2.gz OPERMETWIVNQIO-CVEARBPZSA-N 2 0 295.471 2.310 20 30 CEEDRP C[NH+]1CCN(c2ccc(C=[NH+]OC3CCC3)cc2)CC1 ZINC000812237344 813012275 /nfs/dbraw/zinc/01/22/75/813012275.db2.gz VPMBNZIQSZZUJD-UHFFFAOYSA-N 2 0 273.380 2.341 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1([NH+](C)C)CCCC1 ZINC001135082022 813363425 /nfs/dbraw/zinc/36/34/25/813363425.db2.gz WPFRZPAKNYJNBP-CABCVRRESA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308161 813402774 /nfs/dbraw/zinc/40/27/74/813402774.db2.gz OXOUTUNFHVXHIG-QWHCGFSZSA-N 2 0 293.411 2.014 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475970 813446274 /nfs/dbraw/zinc/44/62/74/813446274.db2.gz HMKUDDITVGMCBT-CABCVRRESA-N 2 0 297.487 2.413 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170907118 813632544 /nfs/dbraw/zinc/63/25/44/813632544.db2.gz ZRUDWKFNIKDCCH-IRXDYDNUSA-N 3 0 288.439 2.445 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274140 813754841 /nfs/dbraw/zinc/75/48/41/813754841.db2.gz PKQGTSYIVIQYCU-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001171119372 813897577 /nfs/dbraw/zinc/89/75/77/813897577.db2.gz IVSMJNKFOJPGDE-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](CC1(CC#N)CC1)CC2 ZINC000691877290 813998342 /nfs/dbraw/zinc/99/83/42/813998342.db2.gz XXHVYZGBQCNVGZ-UHFFFAOYSA-N 2 0 261.413 2.488 20 30 CEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001091124256 814077233 /nfs/dbraw/zinc/07/72/33/814077233.db2.gz VEOBDWRUNBEEFL-UHFFFAOYSA-N 2 0 298.390 2.008 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171248448 814222735 /nfs/dbraw/zinc/22/27/35/814222735.db2.gz VFWLPGMLSSZGKC-ZBFHGGJFSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCOC1CCC(N(CCC[NH3+])CCC[NH+](C)C)CC1 ZINC001173315000 815688241 /nfs/dbraw/zinc/68/82/41/815688241.db2.gz YZHASZVBNKZSOB-UHFFFAOYSA-N 2 0 297.487 2.103 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175263428 816164132 /nfs/dbraw/zinc/16/41/32/816164132.db2.gz POSUYMOZMPMHSG-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001176164684 816366923 /nfs/dbraw/zinc/36/69/23/816366923.db2.gz DGKJPQLGACEVJK-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176284783 816377679 /nfs/dbraw/zinc/37/76/79/816377679.db2.gz KFXQMBCINZVKAB-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176267399 816385401 /nfs/dbraw/zinc/38/54/01/816385401.db2.gz BNFYTGCHQJMAHL-MRXNPFEDSA-N 2 0 295.471 2.006 20 30 CEEDRP C=CC[NH2+]CCCN(CC1CCCC1)C(=O)CC[NH+](C)C ZINC001177405198 816557520 /nfs/dbraw/zinc/55/75/20/816557520.db2.gz HUBWWIAUUSBSJU-UHFFFAOYSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178522748 816758357 /nfs/dbraw/zinc/75/83/57/816758357.db2.gz PQTQMUSDOJROCM-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001178729440 816793279 /nfs/dbraw/zinc/79/32/79/816793279.db2.gz YAOBSCHJSAUUDY-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP Cc1ccc([C@H](CNC(=[NH2+])NC2CC2)[NH+]2CCCC2)cc1 ZINC000066243870 343709897 /nfs/dbraw/zinc/70/98/97/343709897.db2.gz VVAZPXOFIMBNRI-INIZCTEOSA-N 2 0 286.423 2.199 20 30 CEEDRP C[C@H](CCC#N)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000602486723 347056339 /nfs/dbraw/zinc/05/63/39/347056339.db2.gz OYSSRKVKQLFDIL-KLHDSHLOSA-N 2 0 279.428 2.110 20 30 CEEDRP C[C@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCC1 ZINC000602518351 347064369 /nfs/dbraw/zinc/06/43/69/347064369.db2.gz QFLFNGZNWIXTLE-CVEARBPZSA-N 2 0 293.455 2.407 20 30 CEEDRP COCCC[NH+]1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602527007 347067224 /nfs/dbraw/zinc/06/72/24/347067224.db2.gz HPDMVLCDAVIYTD-CQSZACIVSA-N 2 0 267.417 2.017 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000399137772 344856833 /nfs/dbraw/zinc/85/68/33/344856833.db2.gz SDOULUFPOVLHCP-SJORKVTESA-N 2 0 269.392 2.469 20 30 CEEDRP N#Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(F)c1 ZINC000591570794 345264519 /nfs/dbraw/zinc/26/45/19/345264519.db2.gz OHPSLIPOZNQJAO-UHFFFAOYSA-N 2 0 261.344 2.304 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(F)c1 ZINC000591570817 345264808 /nfs/dbraw/zinc/26/48/08/345264808.db2.gz RVGMVRKAIVETDQ-IUODEOHRSA-N 2 0 261.344 2.304 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000591578245 345266262 /nfs/dbraw/zinc/26/62/62/345266262.db2.gz FXAPQUOVOJVQOB-QGZVFWFLSA-N 2 0 267.376 2.445 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592471047 345358379 /nfs/dbraw/zinc/35/83/79/345358379.db2.gz VLKSWXBPAZMVCB-IXDOHACOSA-N 2 0 269.392 2.230 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592471043 345358509 /nfs/dbraw/zinc/35/85/09/345358509.db2.gz VLKSWXBPAZMVCB-BRWVUGGUSA-N 2 0 269.392 2.230 20 30 CEEDRP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594427652 345627134 /nfs/dbraw/zinc/62/71/34/345627134.db2.gz VOJIGZIWOZLSPF-OAHLLOKOSA-N 2 0 288.395 2.146 20 30 CEEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000594441794 345631244 /nfs/dbraw/zinc/63/12/44/345631244.db2.gz WULFZKYVQRBSFL-OAHLLOKOSA-N 2 0 297.362 2.222 20 30 CEEDRP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000594740528 345683767 /nfs/dbraw/zinc/68/37/67/345683767.db2.gz YQKPAOZWULPXFM-SOUVJXGZSA-N 2 0 261.413 2.438 20 30 CEEDRP CC[NH2+]CC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595893643 345908411 /nfs/dbraw/zinc/90/84/11/345908411.db2.gz YACFXPSOSZRFJK-UHFFFAOYSA-N 2 0 271.408 2.422 20 30 CEEDRP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000595905862 345910975 /nfs/dbraw/zinc/91/09/75/345910975.db2.gz HXZXVXKLYYLCFR-OAHLLOKOSA-N 2 0 281.444 2.359 20 30 CEEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000598595051 346380279 /nfs/dbraw/zinc/38/02/79/346380279.db2.gz MIMHPUNKCUIUOC-CVEARBPZSA-N 2 0 293.455 2.095 20 30 CEEDRP C[N@@H+]1CCCC[C@@H](CNCc2cc(C#N)cs2)C1 ZINC000598993988 346443639 /nfs/dbraw/zinc/44/36/39/346443639.db2.gz FPKNOIKAYNTIGH-LBPRGKRZSA-N 2 0 263.410 2.441 20 30 CEEDRP C[NH2+]CCOCC[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000600709884 346675258 /nfs/dbraw/zinc/67/52/58/346675258.db2.gz KMGRMXUBKFIYQE-QGZVFWFLSA-N 2 0 287.407 2.151 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000602708092 347162309 /nfs/dbraw/zinc/16/23/09/347162309.db2.gz WADTWIMWCYWJKI-KFWWJZLASA-N 2 0 279.428 2.015 20 30 CEEDRP C[C@H](CCC#N)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847877 347223109 /nfs/dbraw/zinc/22/31/09/347223109.db2.gz LHSSJXRDIYCTCC-CQSZACIVSA-N 2 0 258.369 2.286 20 30 CEEDRP N#CCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000612092791 347843539 /nfs/dbraw/zinc/84/35/39/347843539.db2.gz XWNRSFYEIPQKHJ-UHFFFAOYSA-N 2 0 292.386 2.470 20 30 CEEDRP C=C(C)C[NH+]1CCC(NCc2c(Cl)cnn2C)CC1 ZINC000131298088 366040545 /nfs/dbraw/zinc/04/05/45/366040545.db2.gz DNFONLIDZGGJOI-UHFFFAOYSA-N 2 0 282.819 2.204 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000335138577 283196856 /nfs/dbraw/zinc/19/68/56/283196856.db2.gz QLBOSALEBXEFQI-XUJLQICISA-N 2 0 255.365 2.405 20 30 CEEDRP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)cc1C#N ZINC000151066549 366616290 /nfs/dbraw/zinc/61/62/90/366616290.db2.gz XYWBKCYTJHMNPK-DOMZBBRYSA-N 2 0 285.391 2.282 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000346669867 368761498 /nfs/dbraw/zinc/76/14/98/368761498.db2.gz JDXYXKXOWJYVOG-DZGCQCFKSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000348046108 368872372 /nfs/dbraw/zinc/87/23/72/368872372.db2.gz DLAFYIKZUHRZDH-UHFFFAOYSA-N 2 0 296.455 2.156 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000186710555 369024973 /nfs/dbraw/zinc/02/49/73/369024973.db2.gz SJDPJVVBZGVRIN-UKRRQHHQSA-N 2 0 271.364 2.460 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000351542004 369639834 /nfs/dbraw/zinc/63/98/34/369639834.db2.gz FHDVRXBROVGHEG-INIZCTEOSA-N 2 0 268.445 2.367 20 30 CEEDRP Cc1nccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248767637 371244725 /nfs/dbraw/zinc/24/47/25/371244725.db2.gz HATABNJNSMDAJC-YUELXQCFSA-N 2 0 260.385 2.500 20 30 CEEDRP CCc1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)s1 ZINC000264069107 371961248 /nfs/dbraw/zinc/96/12/48/371961248.db2.gz CPOGNDMSVMUASZ-LBPRGKRZSA-N 2 0 294.468 2.199 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCCCC[NH+](C)C)c1 ZINC000264121675 371973569 /nfs/dbraw/zinc/97/35/69/371973569.db2.gz VFEIDNQVHCUMLW-UHFFFAOYSA-N 2 0 262.401 2.317 20 30 CEEDRP N#Cc1cccc(C2([NH2+]C3CCC([NH3+])CC3)CC2)c1 ZINC000333283418 205182601 /nfs/dbraw/zinc/18/26/01/205182601.db2.gz MVLXVDPRBMQIKN-UHFFFAOYSA-N 2 0 255.365 2.407 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367613431 373167719 /nfs/dbraw/zinc/16/77/19/373167719.db2.gz FNHXZXSCENXGGJ-KURKYZTESA-N 2 0 291.483 2.489 20 30 CEEDRP O=C(CCc1ncc[nH]1)NC1CC[NH+](CC2CC2)CC1 ZINC000328782043 376898146 /nfs/dbraw/zinc/89/81/46/376898146.db2.gz MZWSDCXBVUTEKV-UHFFFAOYSA-N 2 0 276.384 2.173 20 30 CEEDRP C=C(C)C[NH+]1CCC(NCc2cc(F)ncc2F)CC1 ZINC000295308753 378098157 /nfs/dbraw/zinc/09/81/57/378098157.db2.gz YEXHNVDGHKDEHL-UHFFFAOYSA-N 2 0 281.350 2.490 20 30 CEEDRP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000414822119 394752551 /nfs/dbraw/zinc/75/25/51/394752551.db2.gz MPROVPUMVSKRSN-DOMZBBRYSA-N 2 0 273.380 2.045 20 30 CEEDRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCC(C)(C)C#N)CC2)C1 ZINC000363589149 394881096 /nfs/dbraw/zinc/88/10/96/394881096.db2.gz KSBPQOMCCNAHJD-INIZCTEOSA-N 2 0 292.471 2.028 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005824 394936575 /nfs/dbraw/zinc/93/65/75/394936575.db2.gz BWQFTFQEENCWSS-OWCLPIDISA-N 2 0 261.413 2.486 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367619900 394966952 /nfs/dbraw/zinc/96/69/52/394966952.db2.gz PSJFEKVBTDHPKL-ZACQAIPSSA-N 2 0 277.456 2.099 20 30 CEEDRP C#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000288952698 395067922 /nfs/dbraw/zinc/06/79/22/395067922.db2.gz AGHNURMPQDMBRW-UHFFFAOYSA-N 2 0 298.430 2.212 20 30 CEEDRP C=CCOc1ccccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650711828 401001852 /nfs/dbraw/zinc/00/18/52/401001852.db2.gz FUCLUXLBQYVCTH-UHFFFAOYSA-N 2 0 260.381 2.470 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657824652 415095315 /nfs/dbraw/zinc/09/53/15/415095315.db2.gz SDYJZJJTRJSEQM-SJORKVTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665238361 415641370 /nfs/dbraw/zinc/64/13/70/415641370.db2.gz WVZQHPODGPWIOS-ZBFHGGJFSA-N 2 0 258.365 2.408 20 30 CEEDRP C=CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])nn1 ZINC000662314877 415773461 /nfs/dbraw/zinc/77/34/61/415773461.db2.gz PZUOCUSBENPHNQ-GDBMZVCRSA-N 2 0 291.443 2.194 20 30 CEEDRP C=CC[C@@]1(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662422484 415835003 /nfs/dbraw/zinc/83/50/03/415835003.db2.gz PXPIAYYSWJKDMT-LRDDRELGSA-N 2 0 273.380 2.343 20 30 CEEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662668536 415926637 /nfs/dbraw/zinc/92/66/37/415926637.db2.gz OJJIYZJRMXDSAA-WBVHZDCISA-N 2 0 293.455 2.065 20 30 CEEDRP CNC(NCc1ccc(C[NH+]2CCC(C)CC2)cc1)=[NH+]C ZINC000057887490 260226271 /nfs/dbraw/zinc/22/62/71/260226271.db2.gz SUMNPUALKZDLIX-UHFFFAOYSA-N 2 0 288.439 2.213 20 30 CEEDRP C=C(C)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336800128 262397096 /nfs/dbraw/zinc/39/70/96/262397096.db2.gz LCTWUOHXBGOQTQ-UHFFFAOYSA-N 2 0 265.445 2.053 20 30 CEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000268954872 262961464 /nfs/dbraw/zinc/96/14/64/262961464.db2.gz FZPIXEQDQSGVDD-QZTJIDSGSA-N 2 0 299.418 2.026 20 30 CEEDRP C[C@@H](CNC(=[NH2+])Nc1cc(F)ccc1F)[N@H+](C)C1CC1 ZINC000288731341 263105811 /nfs/dbraw/zinc/10/58/11/263105811.db2.gz NRZPMBGATIYCPA-VIFPVBQESA-N 2 0 282.338 2.174 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414960494 263164912 /nfs/dbraw/zinc/16/49/12/263164912.db2.gz QVWQPZYPUNQGPN-CZUORRHYSA-N 2 0 260.381 2.339 20 30 CEEDRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000366761858 263390400 /nfs/dbraw/zinc/39/04/00/263390400.db2.gz VXQBCXUBQLJULI-OWCLPIDISA-N 2 0 291.439 2.159 20 30 CEEDRP CN(C)C(=[NH+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000370163358 267296119 /nfs/dbraw/zinc/29/61/19/267296119.db2.gz SJLALFCEHXSQEL-OCCSQVGLSA-N 2 0 294.468 2.220 20 30 CEEDRP CC(C)[NH+]1CCN(C2CC[NH+](CCCCC#N)CC2)CC1 ZINC000371345626 267394360 /nfs/dbraw/zinc/39/43/60/267394360.db2.gz RRFLFVFUOLCRIK-UHFFFAOYSA-N 2 0 292.471 2.171 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CC2 ZINC000570790835 314058486 /nfs/dbraw/zinc/05/84/86/314058486.db2.gz YCPYLMVEUJHCRV-ZFWWWQNUSA-N 2 0 278.359 2.416 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000174409158 329158891 /nfs/dbraw/zinc/15/88/91/329158891.db2.gz KSWYOZSOSULTRD-OAHLLOKOSA-N 2 0 293.455 2.407 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH+]C)N1CCc2ccccc21 ZINC000262944446 330037279 /nfs/dbraw/zinc/03/72/79/330037279.db2.gz AQBUWQPJSVIOTI-HNNXBMFYSA-N 2 0 286.423 2.109 20 30 CEEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423046959 330167194 /nfs/dbraw/zinc/16/71/94/330167194.db2.gz FLPNYARBZKGTFX-RBSFLKMASA-N 2 0 252.402 2.089 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000446762566 330853810 /nfs/dbraw/zinc/85/38/10/330853810.db2.gz UTQGMRWIOIFXJA-CABCVRRESA-N 2 0 267.417 2.017 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237858903 333381855 /nfs/dbraw/zinc/38/18/55/333381855.db2.gz HIUJCKZOFWZRJW-JKSUJKDBSA-N 2 0 293.455 2.051 20 30 CEEDRP CC[NH+]1CCC(CC[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000577741263 335395214 /nfs/dbraw/zinc/39/52/14/335395214.db2.gz CKFHWMIDYZKRBK-HNNXBMFYSA-N 2 0 262.401 2.142 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc(OC)c1O ZINC000577751893 335397566 /nfs/dbraw/zinc/39/75/66/335397566.db2.gz WGRJPAWQRJHTEV-NEPJUHHUSA-N 2 0 278.396 2.345 20 30 CEEDRP C=CCOCCC[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000347968921 526751198 /nfs/dbraw/zinc/75/11/98/526751198.db2.gz RRFLJKKVQOYHLF-UHFFFAOYSA-N 2 0 254.418 2.243 20 30 CEEDRP C[N@@H+]1C[C@@H]2CN(CCCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933740712 623988640 /nfs/dbraw/zinc/98/86/40/623988640.db2.gz WUQIAPPXVWYQQK-AEFFLSMTSA-N 2 0 299.418 2.211 20 30 CEEDRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCCCCC2)C1 ZINC000104155547 624319025 /nfs/dbraw/zinc/31/90/25/624319025.db2.gz RBBGHMHNHLUTNK-OAHLLOKOSA-N 2 0 280.460 2.299 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001026528672 628348365 /nfs/dbraw/zinc/34/83/65/628348365.db2.gz RJYGXLLUBSUBRG-UHFFFAOYSA-N 2 0 298.390 2.151 20 30 CEEDRP CCCCCCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925722225 628593194 /nfs/dbraw/zinc/59/31/94/628593194.db2.gz UEULUJLVFIVZKA-PYHGIMPFSA-N 2 0 254.418 2.299 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000104160918 628630145 /nfs/dbraw/zinc/63/01/45/628630145.db2.gz FDJSCLMGBVFLKZ-CQSZACIVSA-N 2 0 268.449 2.223 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1C#N ZINC000925836832 628934300 /nfs/dbraw/zinc/93/43/00/628934300.db2.gz DMGRLGOIBMFMBC-ZFWWWQNUSA-N 2 0 257.381 2.344 20 30 CEEDRP C[NH+]1CCC(C[N@@H+]2Cc3ccc(C#N)cc3C2)CC1 ZINC000895215829 630037874 /nfs/dbraw/zinc/03/78/74/630037874.db2.gz QZDYKOFOOGQNJS-UHFFFAOYSA-N 2 0 255.365 2.216 20 30 CEEDRP C#CC[NH+]1CCC(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC000895810637 630351512 /nfs/dbraw/zinc/35/15/12/630351512.db2.gz HUEXKTZWJAGZQZ-UHFFFAOYSA-N 2 0 283.297 2.032 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C[NH+](C)C)cc1C ZINC000909601061 631095039 /nfs/dbraw/zinc/09/50/39/631095039.db2.gz PXWIMASIWQJWHR-UHFFFAOYSA-N 2 0 275.396 2.113 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000817971812 633816161 /nfs/dbraw/zinc/81/61/61/633816161.db2.gz QEZCZVDALYAUAW-ZQIUZPCESA-N 2 0 272.392 2.347 20 30 CEEDRP C[NH+](C)C1CCC([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000819376261 634161780 /nfs/dbraw/zinc/16/17/80/634161780.db2.gz XXFWBGAZRAXUPK-JCYILVPMSA-N 2 0 287.407 2.054 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000903425282 635112491 /nfs/dbraw/zinc/11/24/91/635112491.db2.gz ZDYFRJDPDTVKBO-XJKSGUPXSA-N 2 0 257.381 2.344 20 30 CEEDRP N#Cc1cccc(C2([NH2+]C[C@H]3CC[C@@H]([NH3+])C3)CCOCC2)c1 ZINC000903463593 635126868 /nfs/dbraw/zinc/12/68/68/635126868.db2.gz GFNQNGFNNXRGAU-DOTOQJQBSA-N 2 0 299.418 2.281 20 30 CEEDRP C=CC[C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769244 635259479 /nfs/dbraw/zinc/25/94/79/635259479.db2.gz AOXZSWUWIJCYSR-GJZGRUSLSA-N 2 0 264.413 2.043 20 30 CEEDRP C=CCc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc(OC)c1O ZINC000904406338 635614031 /nfs/dbraw/zinc/61/40/31/635614031.db2.gz QHFCFOYVZDMRHJ-CYBMUJFWSA-N 2 0 290.407 2.300 20 30 CEEDRP C#CC1CC[NH+](C/C=C/C[NH+]2CCC(C#C)CC2)CC1 ZINC000830345780 637043429 /nfs/dbraw/zinc/04/34/29/637043429.db2.gz SOGJYPXDJPFWNV-AATRIKPKSA-N 2 0 270.420 2.233 20 30 CEEDRP C#CCCCCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000876546315 650317208 /nfs/dbraw/zinc/31/72/08/650317208.db2.gz HUIRQIIBAPWGJT-UHFFFAOYSA-N 2 0 291.483 2.284 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000912804081 639025612 /nfs/dbraw/zinc/02/56/12/639025612.db2.gz WSHCWBGBYWMMPS-JKSUJKDBSA-N 2 0 295.471 2.073 20 30 CEEDRP C#C[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000848923425 642195160 /nfs/dbraw/zinc/19/51/60/642195160.db2.gz DTARUAFFBNSANI-HNNXBMFYSA-N 2 0 280.375 2.421 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999609149 642500977 /nfs/dbraw/zinc/50/09/77/642500977.db2.gz KAMUQVRSTRPXAG-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C#CCOCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793307 643164609 /nfs/dbraw/zinc/16/46/09/643164609.db2.gz UPQHFVASZBWXLQ-GOSISDBHSA-N 2 0 286.419 2.090 20 30 CEEDRP C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000852753168 643537756 /nfs/dbraw/zinc/53/77/56/643537756.db2.gz AGHKIHBCFXGDQQ-YNEHKIRRSA-N 2 0 258.793 2.100 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000764602827 645662851 /nfs/dbraw/zinc/66/28/51/645662851.db2.gz GJCORZHSTLSJGD-UHFFFAOYSA-N 2 0 275.396 2.113 20 30 CEEDRP C#CCSCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000773009607 646695656 /nfs/dbraw/zinc/69/56/56/646695656.db2.gz CYWQZNXXGAQHMH-CVEARBPZSA-N 2 0 298.496 2.079 20 30 CEEDRP CC(C)[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866613899 647842764 /nfs/dbraw/zinc/84/27/64/647842764.db2.gz GAFBFCVOXGBIBQ-SFHVURJKSA-N 2 0 283.419 2.488 20 30 CEEDRP C[C@H]1C[C@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000873218963 649594839 /nfs/dbraw/zinc/59/48/39/649594839.db2.gz BGLDLDYTGJMHQU-DOTOQJQBSA-N 2 0 298.434 2.068 20 30 CEEDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873274957 649620876 /nfs/dbraw/zinc/62/08/76/649620876.db2.gz IAYQGIXSEGIXRD-BLLLJJGKSA-N 2 0 257.381 2.133 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])C2 ZINC000873276654 649621984 /nfs/dbraw/zinc/62/19/84/649621984.db2.gz VOICGIQXOKIRDL-USXIJHARSA-N 2 0 269.392 2.133 20 30 CEEDRP CC(C)C[N@H+](CCOCCC#N)CC1CC[NH+](C)CC1 ZINC000879703849 651341672 /nfs/dbraw/zinc/34/16/72/651341672.db2.gz ZJAMKIYFERQKDH-UHFFFAOYSA-N 2 0 281.444 2.216 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000883438306 652470148 /nfs/dbraw/zinc/47/01/48/652470148.db2.gz PZXXZIDLPRZJHU-HIFRSBDPSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029960 805822460 /nfs/dbraw/zinc/82/24/60/805822460.db2.gz LAFMPYSVLJZJHU-HZPDHXFCSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001271261634 805904608 /nfs/dbraw/zinc/90/46/08/805904608.db2.gz OTDXDKYKEAASQB-JKSUJKDBSA-N 2 0 295.471 2.166 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426449 806203193 /nfs/dbraw/zinc/20/31/93/806203193.db2.gz VIHOUNONTSVHGH-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001266410920 802541861 /nfs/dbraw/zinc/54/18/61/802541861.db2.gz KQGWMGJLAOHCMC-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)cc1F)CC2 ZINC001140140352 802625254 /nfs/dbraw/zinc/62/52/54/802625254.db2.gz TZGAJDZYXVNEOC-UHFFFAOYSA-N 2 0 273.355 2.225 20 30 CEEDRP CC[NH+]1CCN(c2ccc(C[NH+]3CC(CC#N)C3)cc2)CC1 ZINC001140301028 802817573 /nfs/dbraw/zinc/81/75/73/802817573.db2.gz WTOXAVBVXNCVHA-UHFFFAOYSA-N 2 0 298.434 2.174 20 30 CEEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895919 802975737 /nfs/dbraw/zinc/97/57/37/802975737.db2.gz UWVMCGPROSAZTA-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299741 813401291 /nfs/dbraw/zinc/40/12/91/813401291.db2.gz ZKFXBFYDCZDVLQ-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC(F)(C[NH3+])CC2)c(Cl)c1 ZINC001222553614 803903270 /nfs/dbraw/zinc/90/32/70/803903270.db2.gz ZNQJLFYXZMCTBY-UHFFFAOYSA-N 2 0 281.762 2.474 20 30 CEEDRP C=CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027879738 804315278 /nfs/dbraw/zinc/31/52/78/804315278.db2.gz XCUFHXOPCWGEFK-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268404005 804656066 /nfs/dbraw/zinc/65/60/66/804656066.db2.gz POIBLPPHFLJGPH-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)C1 ZINC001269980592 805300952 /nfs/dbraw/zinc/30/09/52/805300952.db2.gz HECFQRJVZYDBLC-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001270404005 805428201 /nfs/dbraw/zinc/42/82/01/805428201.db2.gz QTDLFSBEAKXWQZ-CVEARBPZSA-N 2 0 295.471 2.023 20 30 CEEDRP C[C@H]1CC[C@@H](C[NH3+])N1Cc1c[nH]c2cc(C#N)ccc12 ZINC001205074902 807383994 /nfs/dbraw/zinc/38/39/94/807383994.db2.gz BRTVCUFRZUOVDO-FZMZJTMJSA-N 2 0 268.364 2.351 20 30 CEEDRP N#Cc1cccc(CCC[N@H+]2CCC[C@H]([NH3+])CC2)c1 ZINC001205093436 807568334 /nfs/dbraw/zinc/56/83/34/807568334.db2.gz ABKUPSDAZNRYFN-INIZCTEOSA-N 2 0 257.381 2.304 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643552 808168694 /nfs/dbraw/zinc/16/86/94/808168694.db2.gz AHNQSJNGEAEYTL-HUUCEWRRSA-N 2 0 283.460 2.003 20 30 CEEDRP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791099 810354540 /nfs/dbraw/zinc/35/45/40/810354540.db2.gz ADVQSPZRBBTUDT-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001121909582 815366201 /nfs/dbraw/zinc/36/62/01/815366201.db2.gz VUMGCJCLGWYGLQ-HOTGVXAUSA-N 2 0 295.471 2.441 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC001172299869 815388257 /nfs/dbraw/zinc/38/82/57/815388257.db2.gz PFJPWVJXNMGWFU-KCXAZCMYSA-N 2 0 257.381 2.349 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001085332032 810725376 /nfs/dbraw/zinc/72/53/76/810725376.db2.gz IPPUMUOWIKQVEE-ARFHVFGLSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccn2c[nH+]cc2c1 ZINC001085699881 810882095 /nfs/dbraw/zinc/88/20/95/810882095.db2.gz YBZADPYWPJRSKT-HNNXBMFYSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044679956 811523291 /nfs/dbraw/zinc/52/32/91/811523291.db2.gz DIUWALUMEZSVAQ-ZFWWWQNUSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044873650 811548300 /nfs/dbraw/zinc/54/83/00/811548300.db2.gz ZFWXOLNWZSCTAE-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046415787 811750496 /nfs/dbraw/zinc/75/04/96/811750496.db2.gz RWZZFFXSQFDHEY-QGZVFWFLSA-N 2 0 298.390 2.333 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129423049 812493244 /nfs/dbraw/zinc/49/32/44/812493244.db2.gz OPERMETWIVNQIO-HZPDHXFCSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132790909 812946982 /nfs/dbraw/zinc/94/69/82/812946982.db2.gz MBBUUTFKOAKPLN-MRXNPFEDSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001170742957 813243582 /nfs/dbraw/zinc/24/35/82/813243582.db2.gz OZNOWZFXAYCGKD-HOTGVXAUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858052 813337178 /nfs/dbraw/zinc/33/71/78/813337178.db2.gz NHFPJIIZMZIDSY-CABCVRRESA-N 2 0 293.455 2.064 20 30 CEEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccc3c(c2)C[NH2+]C3)cc1 ZINC001170984891 813721488 /nfs/dbraw/zinc/72/14/88/813721488.db2.gz JSLQTRCNIFSQIE-UHFFFAOYSA-N 2 0 295.342 2.113 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246196494 813727433 /nfs/dbraw/zinc/72/74/33/813727433.db2.gz GNRVKDXSWGEBAU-BBRMVZONSA-N 2 0 257.381 2.078 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCC[NH+](C)C ZINC001171175636 814057369 /nfs/dbraw/zinc/05/73/69/814057369.db2.gz NLCIDDCKMLISJE-CQSZACIVSA-N 2 0 259.397 2.421 20 30 CEEDRP C=CCC[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100668592 814168711 /nfs/dbraw/zinc/16/87/11/814168711.db2.gz CIXMUTLWWJWUDQ-GPANFISMSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701715 814305426 /nfs/dbraw/zinc/30/54/26/814305426.db2.gz OLJTXHOSXCNQKQ-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C[NH+](C)CCCN1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337379 815682591 /nfs/dbraw/zinc/68/25/91/815682591.db2.gz KFXATNOMVAXCCO-UHFFFAOYSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001175272102 816166362 /nfs/dbraw/zinc/16/63/62/816166362.db2.gz HJBVWENGJPJKNP-OAHLLOKOSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203010908 816206994 /nfs/dbraw/zinc/20/69/94/816206994.db2.gz ZSBIZHCDYKZGNM-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC001175786382 816283780 /nfs/dbraw/zinc/28/37/80/816283780.db2.gz KBNLVJQTKKTOHW-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176025116 816326801 /nfs/dbraw/zinc/32/68/01/816326801.db2.gz XZWZSVDPZKDOFA-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001176024128 816327334 /nfs/dbraw/zinc/32/73/34/816327334.db2.gz LREDMIOVVVKTLL-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176759541 816473583 /nfs/dbraw/zinc/47/35/83/816473583.db2.gz JHVNIVFJIPILQQ-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001178521752 816758050 /nfs/dbraw/zinc/75/80/50/816758050.db2.gz CYSIPSXKKAMSQN-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001179590591 816881576 /nfs/dbraw/zinc/88/15/76/816881576.db2.gz JKOLLPQQCZAFJE-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000037748823 361928366 /nfs/dbraw/zinc/92/83/66/361928366.db2.gz PXHFWWULHXAAJT-CYBMUJFWSA-N 2 0 257.381 2.378 20 30 CEEDRP C=C(C)[C@H](CO)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047888 539183148 /nfs/dbraw/zinc/18/31/48/539183148.db2.gz JAGQGRNBSDRMDD-ROUUACIJSA-N 2 0 288.435 2.377 20 30 CEEDRP CCNC(NCCC[N@@H+]1CCc2ccccc2C1)=[NH+]CC ZINC000066243288 343709616 /nfs/dbraw/zinc/70/96/16/343709616.db2.gz ZORKRIIBURBNRK-UHFFFAOYSA-N 2 0 288.439 2.010 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCC[NH+](C)C ZINC000602524226 347065971 /nfs/dbraw/zinc/06/59/71/347065971.db2.gz LTZQJGTZBIPGGG-AWEZNQCLSA-N 2 0 267.417 2.017 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000602546020 347071842 /nfs/dbraw/zinc/07/18/42/347071842.db2.gz AVJJHJDRKNIBDY-GJZGRUSLSA-N 2 0 279.428 2.017 20 30 CEEDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573303 345265226 /nfs/dbraw/zinc/26/52/26/345265226.db2.gz HZJABLZQMPNUNM-ZJUUUORDSA-N 2 0 251.761 2.427 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000592471044 345358607 /nfs/dbraw/zinc/35/86/07/345358607.db2.gz VLKSWXBPAZMVCB-GVDBMIGSSA-N 2 0 269.392 2.230 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320243 345465986 /nfs/dbraw/zinc/46/59/86/345465986.db2.gz BNRQVSPXVMDVOG-RISCZKNCSA-N 2 0 261.344 2.456 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000593730197 345528657 /nfs/dbraw/zinc/52/86/57/345528657.db2.gz LPHUPMKAYWMLJI-KZNAEPCWSA-N 2 0 299.418 2.419 20 30 CEEDRP C[NH+](C)CCOCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594500293 345638847 /nfs/dbraw/zinc/63/88/47/345638847.db2.gz MLHHQMLQPLNXQA-UHFFFAOYSA-N 2 0 289.423 2.156 20 30 CEEDRP C[C@@H]1C[C@@H](C[N@@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581063 345650751 /nfs/dbraw/zinc/65/07/51/345650751.db2.gz JDJPCGDHZYTUPX-OCCSQVGLSA-N 2 0 255.365 2.262 20 30 CEEDRP CC[NH+]1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055888 345736295 /nfs/dbraw/zinc/73/62/95/345736295.db2.gz LRZZGEKDEMFSFS-UHFFFAOYSA-N 2 0 257.381 2.175 20 30 CEEDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595340581 345765082 /nfs/dbraw/zinc/76/50/82/345765082.db2.gz CMFUBFXRYWDCBD-KRWDZBQOSA-N 2 0 271.408 2.374 20 30 CEEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000598680516 346400439 /nfs/dbraw/zinc/40/04/39/346400439.db2.gz ZHZDXJMTJFQJRD-RDJZCZTQSA-N 2 0 269.392 2.380 20 30 CEEDRP C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000602657897 347127672 /nfs/dbraw/zinc/12/76/72/347127672.db2.gz TZPUHUYHRVYZCC-NVXWUHKLSA-N 2 0 292.471 2.027 20 30 CEEDRP CC[NH+](CC)C[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610993985 347729016 /nfs/dbraw/zinc/72/90/16/347729016.db2.gz PQMVNLONXBPZQW-OAHLLOKOSA-N 2 0 272.396 2.117 20 30 CEEDRP C=CC[C@@H]1CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000625704454 350551822 /nfs/dbraw/zinc/55/18/22/350551822.db2.gz XXLYOFXFVBGVND-QGZVFWFLSA-N 2 0 279.472 2.301 20 30 CEEDRP C[NH2+]CCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000070189605 363051996 /nfs/dbraw/zinc/05/19/96/363051996.db2.gz VRQPAXKATJXJPQ-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870361 366367071 /nfs/dbraw/zinc/36/70/71/366367071.db2.gz RZSZVGMEQCRDBF-HYVNUMGLSA-N 2 0 278.440 2.262 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(OC)c1O ZINC000666855312 540509961 /nfs/dbraw/zinc/50/99/61/540509961.db2.gz LPEJZLOEOVUGBD-HNNXBMFYSA-N 2 0 290.407 2.361 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000579953583 366729246 /nfs/dbraw/zinc/72/92/46/366729246.db2.gz USGYKRPCNRJIBJ-XJKSGUPXSA-N 2 0 257.381 2.230 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000580080976 366747554 /nfs/dbraw/zinc/74/75/54/366747554.db2.gz ZBPAQDPDBGGEFC-ROUUACIJSA-N 2 0 299.418 2.277 20 30 CEEDRP C=C(C)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154013684 366752817 /nfs/dbraw/zinc/75/28/17/366752817.db2.gz SZFFAIFRKVDZHR-IYBDPMFKSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCCC[C@@H](C)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678717359 541165945 /nfs/dbraw/zinc/16/59/45/541165945.db2.gz PFVQZCHXWXEYPS-SJORKVTESA-N 2 0 279.472 2.443 20 30 CEEDRP C[N@@H+](Cc1cc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000093089274 364139743 /nfs/dbraw/zinc/13/97/43/364139743.db2.gz CEFLDAIDIJNDFB-UHFFFAOYSA-N 2 0 263.410 2.393 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000335674750 364821554 /nfs/dbraw/zinc/82/15/54/364821554.db2.gz NWQNEBNTPYDAEI-QGZVFWFLSA-N 2 0 269.392 2.477 20 30 CEEDRP C=C(CC)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000358618907 371140708 /nfs/dbraw/zinc/14/07/08/371140708.db2.gz XZWUFVJDNZLMMN-RBSFLKMASA-N 2 0 252.402 2.136 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)C[NH+]1CCCCC1 ZINC000264054604 371957301 /nfs/dbraw/zinc/95/73/01/371957301.db2.gz NSHMMMAJRLCFAO-AWEZNQCLSA-N 2 0 292.427 2.067 20 30 CEEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000264109259 371972123 /nfs/dbraw/zinc/97/21/23/371972123.db2.gz QFQXJXZPXFBJND-UHFFFAOYSA-N 2 0 288.439 2.485 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000264238262 371988023 /nfs/dbraw/zinc/98/80/23/371988023.db2.gz DQSFGHIHBBTODX-LBPRGKRZSA-N 2 0 274.412 2.458 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367614754 373167441 /nfs/dbraw/zinc/16/74/41/373167441.db2.gz IFHVFCXADBWIRJ-RRFJBIMHSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CCOCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479660 373146695 /nfs/dbraw/zinc/14/66/95/373146695.db2.gz YSLASPCOMPXAEJ-DOTOQJQBSA-N 2 0 288.391 2.035 20 30 CEEDRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423248568 377168609 /nfs/dbraw/zinc/16/86/09/377168609.db2.gz NKTSKBVAPNMEJT-NWDGAFQWSA-N 2 0 261.344 2.348 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000332378142 377582079 /nfs/dbraw/zinc/58/20/79/377582079.db2.gz FMQPJGBNFQHOCR-XBVQOTNRSA-N 2 0 291.439 2.036 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000449217965 378199261 /nfs/dbraw/zinc/19/92/61/378199261.db2.gz DFUFTZKQIZFCHU-INIZCTEOSA-N 2 0 267.461 2.348 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000544612538 380357622 /nfs/dbraw/zinc/35/76/22/380357622.db2.gz GALNMICWOSJTGL-CQSZACIVSA-N 2 0 254.418 2.166 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000103338095 394713988 /nfs/dbraw/zinc/71/39/88/394713988.db2.gz MWNDOUUAHSDEPL-CQSZACIVSA-N 2 0 292.427 2.065 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346859476 395111153 /nfs/dbraw/zinc/11/11/53/395111153.db2.gz SDVYOSFTACMICH-XIRDDKMYSA-N 2 0 272.392 2.421 20 30 CEEDRP C[C@H](CCC#N)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000411522246 395330658 /nfs/dbraw/zinc/33/06/58/395330658.db2.gz DIVGNWITTISVOC-MRXNPFEDSA-N 2 0 292.471 2.028 20 30 CEEDRP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1C#N ZINC000443977304 395408185 /nfs/dbraw/zinc/40/81/85/395408185.db2.gz HTHKFMNEKOVBAB-UHFFFAOYSA-N 2 0 257.381 2.298 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000651709490 401375823 /nfs/dbraw/zinc/37/58/23/401375823.db2.gz YMGUAAAIHBRDMP-ZACQAIPSSA-N 2 0 291.483 2.489 20 30 CEEDRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC#Cc1ccccc1)C2 ZINC000660664754 414926287 /nfs/dbraw/zinc/92/62/87/414926287.db2.gz SLGFLSSGLXDIOJ-GOSISDBHSA-N 2 0 268.404 2.456 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657873298 415109788 /nfs/dbraw/zinc/10/97/88/415109788.db2.gz SEKSFFNLRRZGSD-BBWFWOEESA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657886196 415114348 /nfs/dbraw/zinc/11/43/48/415114348.db2.gz ILEMKQUPNNQBBT-HUUCEWRRSA-N 2 0 266.429 2.168 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCC[NH+](C)C ZINC000657987707 415146215 /nfs/dbraw/zinc/14/62/15/415146215.db2.gz SYSCHQCHTMNQET-CABCVRRESA-N 2 0 254.418 2.289 20 30 CEEDRP C=CC[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662299913 415762642 /nfs/dbraw/zinc/76/26/42/415762642.db2.gz ZLCPOHAALZGLMM-BZSNNMDCSA-N 2 0 288.435 2.205 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1 ZINC000414947200 263156406 /nfs/dbraw/zinc/15/64/06/263156406.db2.gz VNVYUZQTTXZWHO-UHFFFAOYSA-N 2 0 260.381 2.483 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc1OC ZINC000415046319 263258279 /nfs/dbraw/zinc/25/82/79/263258279.db2.gz UYEOEYKPTMDXRA-ZFWWWQNUSA-N 2 0 290.407 2.477 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330694908 264004476 /nfs/dbraw/zinc/00/44/76/264004476.db2.gz ZFHREVLYLZNXPW-CVEARBPZSA-N 2 0 293.455 2.284 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000290294129 264760468 /nfs/dbraw/zinc/76/04/68/264760468.db2.gz HGPBSYJGDXFDAX-QGZVFWFLSA-N 2 0 299.462 2.031 20 30 CEEDRP C[N@H+](CCCSCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367589116 267102582 /nfs/dbraw/zinc/10/25/82/267102582.db2.gz YLUHHMCBUNFVMX-PBWFPOADSA-N 2 0 267.442 2.190 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH2+]C)cc1OC ZINC000414841451 328233793 /nfs/dbraw/zinc/23/37/93/328233793.db2.gz OIRZYTDDWOXLMU-ZDUSSCGKSA-N 2 0 278.396 2.205 20 30 CEEDRP CCN(CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21)C1CC1 ZINC000378454064 329051177 /nfs/dbraw/zinc/05/11/77/329051177.db2.gz PHMFMUGUFMEPEO-NXOAAHMSSA-N 2 0 291.439 2.300 20 30 CEEDRP CC#CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494413 329184837 /nfs/dbraw/zinc/18/48/37/329184837.db2.gz GTCGDGZORVURSX-IYBDPMFKSA-N 2 0 278.440 2.221 20 30 CEEDRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262673518 330025925 /nfs/dbraw/zinc/02/59/25/330025925.db2.gz SCOZYDHSHDBXFV-JSGCOSHPSA-N 2 0 292.452 2.022 20 30 CEEDRP [NH2+]=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC1CC1 ZINC000262821687 330034146 /nfs/dbraw/zinc/03/41/46/330034146.db2.gz YKBCAZODBKHXEP-UHFFFAOYSA-N 2 0 278.444 2.099 20 30 CEEDRP C[C@]1(CNC(=[NH2+])N2CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000263045898 330040612 /nfs/dbraw/zinc/04/06/12/330040612.db2.gz CWOMBDBXOYGJMT-QGZVFWFLSA-N 2 0 286.423 2.062 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000422832244 330156911 /nfs/dbraw/zinc/15/69/11/330156911.db2.gz KYISELWRPIHLNB-YESZJQIVSA-N 2 0 279.472 2.273 20 30 CEEDRP C=CC[NH+]1CCC(N[C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422860710 330157850 /nfs/dbraw/zinc/15/78/50/330157850.db2.gz MTGIENDYWYLTTG-CRAIPNDOSA-N 2 0 287.451 2.185 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422976143 330162218 /nfs/dbraw/zinc/16/22/18/330162218.db2.gz HTNKMHVOMHPHHP-CVEARBPZSA-N 2 0 265.445 2.277 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423094928 330169483 /nfs/dbraw/zinc/16/94/83/330169483.db2.gz KZZQYDWFEMGSOO-UUAJXVIYSA-N 2 0 278.440 2.478 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095645 330169683 /nfs/dbraw/zinc/16/96/83/330169683.db2.gz MUMPYMAWAQGYPD-AJNGGQMLSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000163551988 331056084 /nfs/dbraw/zinc/05/60/84/331056084.db2.gz CHPYLYHKRUYKNW-OWCLPIDISA-N 2 0 266.429 2.480 20 30 CEEDRP N#CCC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459519381 331285705 /nfs/dbraw/zinc/28/57/05/331285705.db2.gz UTPMBLPKEQACEE-UHFFFAOYSA-N 2 0 270.380 2.334 20 30 CEEDRP C#C[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000491704756 332298058 /nfs/dbraw/zinc/29/80/58/332298058.db2.gz USDWNSMYQWNKOD-INIZCTEOSA-N 2 0 268.364 2.323 20 30 CEEDRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)ccc1C#N ZINC000414957394 533874667 /nfs/dbraw/zinc/87/46/67/533874667.db2.gz BKQQRUGPPHJOHQ-OAHLLOKOSA-N 2 0 273.380 2.189 20 30 CEEDRP CCC[NH+]1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000161656456 519846883 /nfs/dbraw/zinc/84/68/83/519846883.db2.gz BXQFCAMOOOUOTR-UHFFFAOYSA-N 2 0 287.407 2.401 20 30 CEEDRP C[C@H]1CCCC[C@H]1[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000733902100 574690020 /nfs/dbraw/zinc/69/00/20/574690020.db2.gz LLTQAOHLADFART-GXTWGEPZSA-N 2 0 261.373 2.157 20 30 CEEDRP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000261998771 624199514 /nfs/dbraw/zinc/19/95/14/624199514.db2.gz OSOJAHXNCRACSZ-JTQLQIEISA-N 2 0 296.802 2.027 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157363652 624974035 /nfs/dbraw/zinc/97/40/35/624974035.db2.gz UYRLPKHGPYZABB-ZIAGYGMSSA-N 2 0 268.449 2.057 20 30 CEEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157387564 624974603 /nfs/dbraw/zinc/97/46/03/624974603.db2.gz PPIMQJYSGILNSQ-AWEZNQCLSA-N 2 0 268.449 2.011 20 30 CEEDRP CCNC(NC[C@@H](CC(C)C)[NH+]1CCCC1)=[NH+]CC ZINC000066245079 625816237 /nfs/dbraw/zinc/81/62/37/625816237.db2.gz VUHVKCUCEGBWMH-CQSZACIVSA-N 2 0 268.449 2.072 20 30 CEEDRP C[NH+]1CCC2(CC1)C[N@H+](CC1CCC(C#N)CC1)CCO2 ZINC000930823906 628278687 /nfs/dbraw/zinc/27/86/87/628278687.db2.gz YJOBOLPJVRUKAC-UHFFFAOYSA-N 2 0 291.439 2.113 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925608958 628291000 /nfs/dbraw/zinc/29/10/00/628291000.db2.gz MORWGXKLTAAMCO-IXDOHACOSA-N 2 0 291.483 2.393 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[C@@H]([NH3+])C1)CC2 ZINC000925881220 628980679 /nfs/dbraw/zinc/98/06/79/628980679.db2.gz ZUSMSGPDGCSECC-BJJXKVORSA-N 2 0 255.365 2.263 20 30 CEEDRP C=C(C)C[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000985483240 631103264 /nfs/dbraw/zinc/10/32/64/631103264.db2.gz XAEBQSBUIGENHT-INIZCTEOSA-N 2 0 295.471 2.072 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCC[NH2+]CC)cc1 ZINC000817943139 633791233 /nfs/dbraw/zinc/79/12/33/633791233.db2.gz JCTWZTZDORYCME-CQSZACIVSA-N 2 0 260.381 2.349 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000817945492 633792598 /nfs/dbraw/zinc/79/25/98/633792598.db2.gz DWGJAEPIXDAVLQ-LSDHHAIUSA-N 2 0 272.392 2.349 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000817976145 633818930 /nfs/dbraw/zinc/81/89/30/633818930.db2.gz HJNZBDFKESGOEJ-XJKSGUPXSA-N 2 0 285.391 2.382 20 30 CEEDRP CC1(C)[C@H]([NH2+]Cc2cc(Cl)cc(C#N)c2)C[C@@H]1[NH3+] ZINC000903482479 635151007 /nfs/dbraw/zinc/15/10/07/635151007.db2.gz IZFLNEISMOHEEW-QWHCGFSZSA-N 2 0 263.772 2.427 20 30 CEEDRP C=CCCCCC[N@@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903894951 635331160 /nfs/dbraw/zinc/33/11/60/635331160.db2.gz IQPOCLYUXWLJJD-HNNXBMFYSA-N 2 0 291.443 2.381 20 30 CEEDRP C=CCCC(C)(C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903933826 635359016 /nfs/dbraw/zinc/35/90/16/635359016.db2.gz WHOCHRLMUQBWFP-CQSZACIVSA-N 2 0 278.444 2.180 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848562934 642054353 /nfs/dbraw/zinc/05/43/53/642054353.db2.gz MYUUAIMSQQXDCH-IYBDPMFKSA-N 2 0 272.392 2.128 20 30 CEEDRP C[NH+]=C(NCCCCCCC[NH+]1CCCC1)NC1CC1 ZINC000848997086 642216547 /nfs/dbraw/zinc/21/65/47/642216547.db2.gz PWHWDCSMZDIQHE-UHFFFAOYSA-N 2 0 280.460 2.360 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850470821 642721617 /nfs/dbraw/zinc/72/16/17/642721617.db2.gz HRHVUYSNJJJCPV-CYBMUJFWSA-N 2 0 271.364 2.434 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1csc(C#N)c1 ZINC000921991715 642829841 /nfs/dbraw/zinc/82/98/41/642829841.db2.gz WNGUCWGASFWNCH-UHFFFAOYSA-N 2 0 281.425 2.068 20 30 CEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003158957 642918942 /nfs/dbraw/zinc/91/89/42/642918942.db2.gz KPBSPXPRDGKDHM-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005714739 643433822 /nfs/dbraw/zinc/43/38/22/643433822.db2.gz VLFRRKCYWIOJPD-UHFFFAOYSA-N 2 0 298.390 2.057 20 30 CEEDRP C#Cc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000839181402 644181609 /nfs/dbraw/zinc/18/16/09/644181609.db2.gz IABJASUUUAHAIO-QGZVFWFLSA-N 2 0 256.393 2.489 20 30 CEEDRP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1C#N ZINC000858246233 645097602 /nfs/dbraw/zinc/09/76/02/645097602.db2.gz YMMBLEQGALXLOE-HNNXBMFYSA-N 2 0 287.407 2.388 20 30 CEEDRP C[C@H]1CNC(NN=C2CCCC[C@@H]2[NH+]2CCCCCC2)=[NH+]1 ZINC000779791841 647353757 /nfs/dbraw/zinc/35/37/57/647353757.db2.gz LLNHDIAMNXLUDI-ZFWWWQNUSA-N 2 0 291.443 2.098 20 30 CEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000865618196 647390209 /nfs/dbraw/zinc/39/02/09/647390209.db2.gz UFPOCUWTDLXRRX-FZNQNYSPSA-N 2 0 286.423 2.054 20 30 CEEDRP c1nncn1[NH+]=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781115235 647500829 /nfs/dbraw/zinc/50/08/29/647500829.db2.gz KERHYSAQCUFJPD-HOTGVXAUSA-N 2 0 295.390 2.414 20 30 CEEDRP C#CCC[NH+]1CCN(c2cc[nH+]cc2C2CC2)CC1 ZINC000872442181 649391944 /nfs/dbraw/zinc/39/19/44/649391944.db2.gz VGVLHLVJTQDEFL-UHFFFAOYSA-N 2 0 255.365 2.104 20 30 CEEDRP C[C@H](CCCC[NH3+])[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873274962 649620894 /nfs/dbraw/zinc/62/08/94/649620894.db2.gz IAYQGIXSEGIXRD-WBMJQRKESA-N 2 0 257.381 2.133 20 30 CEEDRP C[N@@H+]1CC[C@@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000879579911 651326513 /nfs/dbraw/zinc/32/65/13/651326513.db2.gz QDCFMOCGXKXRDG-SJORKVTESA-N 2 0 269.392 2.127 20 30 CEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001271075297 805734417 /nfs/dbraw/zinc/73/44/17/805734417.db2.gz LXGDBMLEUSTQFY-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001271075292 805734555 /nfs/dbraw/zinc/73/45/55/805734555.db2.gz LXGDBMLEUSTQFY-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001283621961 803523668 /nfs/dbraw/zinc/52/36/68/803523668.db2.gz PPDSSIYHKRGVCO-HOCLYGCPSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003722 804390332 /nfs/dbraw/zinc/39/03/32/804390332.db2.gz RLMIMEJCTLRYPI-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268395998 804650336 /nfs/dbraw/zinc/65/03/36/804650336.db2.gz GLTNHRWKXIDHKY-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP CN(c1ccccc1CNCCC#N)C1CC[NH+](C)CC1 ZINC000425984229 804733241 /nfs/dbraw/zinc/73/32/41/804733241.db2.gz GQCUARPWVRWHSI-UHFFFAOYSA-N 2 0 286.423 2.220 20 30 CEEDRP C=CCC[NH2+]CCN(CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268482762 804738166 /nfs/dbraw/zinc/73/81/66/804738166.db2.gz WVTPUCMMNXEAMG-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001268499068 804768776 /nfs/dbraw/zinc/76/87/76/804768776.db2.gz FFASBFMEZBECKH-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001269461291 805171500 /nfs/dbraw/zinc/17/15/00/805171500.db2.gz RQLOWCQKEAUVPI-ZBFHGGJFSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089061129 807324949 /nfs/dbraw/zinc/32/49/49/807324949.db2.gz ZBFXCFYWJQTRHZ-OWCLPIDISA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171508753 815190111 /nfs/dbraw/zinc/19/01/11/815190111.db2.gz HWWHLDIADQYCIJ-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C#CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586789 815192438 /nfs/dbraw/zinc/19/24/38/815192438.db2.gz TTXKFXUVXMCCRP-HNNXBMFYSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171724969 815217916 /nfs/dbraw/zinc/21/79/16/815217916.db2.gz APSZCCYTJKSBFH-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744224 810479565 /nfs/dbraw/zinc/47/95/65/810479565.db2.gz MJLGSKIKESLVLM-OAHLLOKOSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC001121974227 815373720 /nfs/dbraw/zinc/37/37/20/815373720.db2.gz GQRVRZYDGMMXKL-HNNXBMFYSA-N 2 0 281.444 2.052 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001121991362 815374239 /nfs/dbraw/zinc/37/42/39/815374239.db2.gz OWHKWPBJSJXSTM-HNNXBMFYSA-N 2 0 275.396 2.370 20 30 CEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038442869 810842552 /nfs/dbraw/zinc/84/25/52/810842552.db2.gz RSODKQKXATUVJG-AWEZNQCLSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044873651 811548591 /nfs/dbraw/zinc/54/85/91/811548591.db2.gz ZFWXOLNWZSCTAE-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797299 811664571 /nfs/dbraw/zinc/66/45/71/811664571.db2.gz CZGZLIQQVCPUQI-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001169948810 811722191 /nfs/dbraw/zinc/72/21/91/811722191.db2.gz SDSIAXWOFCCUEC-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109654019 811923833 /nfs/dbraw/zinc/92/38/33/811923833.db2.gz RMUPMORHLSINLU-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109932362 811971733 /nfs/dbraw/zinc/97/17/33/811971733.db2.gz IIDDOGIBQLYNGR-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157886479 812512505 /nfs/dbraw/zinc/51/25/05/812512505.db2.gz HWSDKCVDWJFFNI-HZPDHXFCSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001131815550 812735649 /nfs/dbraw/zinc/73/56/49/812735649.db2.gz IPAPAKUXHREBPH-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135317337 813407617 /nfs/dbraw/zinc/40/76/17/813407617.db2.gz XSCIQFREFOVFFU-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001135317338 813408413 /nfs/dbraw/zinc/40/84/13/813408413.db2.gz XSCIQFREFOVFFU-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001135376109 813418660 /nfs/dbraw/zinc/41/86/60/813418660.db2.gz QZBPOTIYFRKIIC-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135861232 813550877 /nfs/dbraw/zinc/55/08/77/813550877.db2.gz OHJZSWANLAHGOW-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170864029 813562838 /nfs/dbraw/zinc/56/28/38/813562838.db2.gz ZPKQTRFIXAPVKD-ARFHVFGLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979038 813578086 /nfs/dbraw/zinc/57/80/86/813578086.db2.gz BFTPWIBGTRERDW-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP CC(C)[C@H](C#N)c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170901288 813623054 /nfs/dbraw/zinc/62/30/54/813623054.db2.gz YMAFTLOAOLXVBY-GJZGRUSLSA-N 2 0 260.385 2.385 20 30 CEEDRP CCCCCCCC[C@H](CC)N[C@H]1C[NH2+]C[C@H]1O ZINC001246101341 813691469 /nfs/dbraw/zinc/69/14/69/813691469.db2.gz OZMFSEZEHUJSAA-SOUVJXGZSA-N 2 0 256.434 2.438 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074693851 813843375 /nfs/dbraw/zinc/84/33/75/813843375.db2.gz XBHVSUJBZJWBEI-XHSDSOJGSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171173357 814052637 /nfs/dbraw/zinc/05/26/37/814052637.db2.gz AQGMMGPMHOSOGV-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261701 814243605 /nfs/dbraw/zinc/24/36/05/814243605.db2.gz YVYQYRYYGVHJQA-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[N@@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304696 816227201 /nfs/dbraw/zinc/22/72/01/816227201.db2.gz YQFHRCHHFVNPMO-UHFFFAOYSA-N 2 0 273.424 2.446 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001178518619 816758291 /nfs/dbraw/zinc/75/82/91/816758291.db2.gz SNECMUQDPRPOGM-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178760163 816793373 /nfs/dbraw/zinc/79/33/73/816793373.db2.gz XKIODZPHEMBRAE-HNNXBMFYSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC2([NH+](C)C)CCCC2)[C@H]1C ZINC001179239122 816842792 /nfs/dbraw/zinc/84/27/92/816842792.db2.gz RRCIAZVJBMPZJW-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@@H](CCC#N)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000602455506 347040742 /nfs/dbraw/zinc/04/07/42/347040742.db2.gz RKXRRBFAWMDOAT-INIZCTEOSA-N 2 0 293.455 2.361 20 30 CEEDRP C=CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285410876 344678556 /nfs/dbraw/zinc/67/85/56/344678556.db2.gz BJZJUEPAKWALAF-IBGZPJMESA-N 2 0 299.462 2.455 20 30 CEEDRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602557447 347076245 /nfs/dbraw/zinc/07/62/45/347076245.db2.gz KBKDPPIGPVYIBY-UHFFFAOYSA-N 2 0 272.396 2.165 20 30 CEEDRP C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594424392 345625036 /nfs/dbraw/zinc/62/50/36/345625036.db2.gz CNILPLSQDVSSQP-RISCZKNCSA-N 2 0 274.368 2.056 20 30 CEEDRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594427648 345627169 /nfs/dbraw/zinc/62/71/69/345627169.db2.gz VOJIGZIWOZLSPF-HNNXBMFYSA-N 2 0 288.395 2.146 20 30 CEEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1-n1ccnc1 ZINC000594440239 345631412 /nfs/dbraw/zinc/63/14/12/345631412.db2.gz ANSOIMJDNLPWTB-CYBMUJFWSA-N 2 0 297.362 2.222 20 30 CEEDRP N#CCc1ccc(C[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000594949887 345714150 /nfs/dbraw/zinc/71/41/50/345714150.db2.gz HFGOFNBRGMRWLI-UHFFFAOYSA-N 2 0 266.348 2.185 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594956618 345715701 /nfs/dbraw/zinc/71/57/01/345715701.db2.gz XGCZGDXJTUSLIL-IRXDYDNUSA-N 2 0 269.392 2.317 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000598679006 346399226 /nfs/dbraw/zinc/39/92/26/346399226.db2.gz COYPGQWAWZJOQC-UHFFFAOYSA-N 2 0 255.365 2.134 20 30 CEEDRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000598994834 346443572 /nfs/dbraw/zinc/44/35/72/346443572.db2.gz UAFYNPOBAKRRIM-INIZCTEOSA-N 2 0 257.381 2.380 20 30 CEEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000600707559 346674349 /nfs/dbraw/zinc/67/43/49/346674349.db2.gz IHJUCYVDWNGZNX-KRWDZBQOSA-N 2 0 299.418 2.423 20 30 CEEDRP N#Cc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)o1 ZINC000600768936 346686191 /nfs/dbraw/zinc/68/61/91/346686191.db2.gz IGBLMMSILPWSBN-DOMZBBRYSA-N 2 0 259.353 2.115 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000602687112 347147469 /nfs/dbraw/zinc/14/74/69/347147469.db2.gz ILARXYQSRAJLLQ-HZPDHXFCSA-N 2 0 293.455 2.407 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)CC1 ZINC000602876105 347235052 /nfs/dbraw/zinc/23/50/52/347235052.db2.gz DRBKHUOCHRUKJP-UHFFFAOYSA-N 2 0 299.418 2.355 20 30 CEEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000618574575 348980617 /nfs/dbraw/zinc/98/06/17/348980617.db2.gz DCAABDNPTDUSPT-CABCVRRESA-N 2 0 299.422 2.328 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000227330652 282687662 /nfs/dbraw/zinc/68/76/62/282687662.db2.gz DTNRFMZXLMSQJP-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP FC(F)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(F)F)C2)C1 ZINC000671242497 540024986 /nfs/dbraw/zinc/02/49/86/540024986.db2.gz DLFITQXATVUPRG-TXEJJXNPSA-N 2 0 292.320 2.164 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000310675843 540349115 /nfs/dbraw/zinc/34/91/15/540349115.db2.gz PJIYGEAOVJXCHN-QLFBSQMISA-N 2 0 252.402 2.089 20 30 CEEDRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1C#N ZINC000087823734 363870537 /nfs/dbraw/zinc/87/05/37/363870537.db2.gz NBWHTKTYMCJVKP-CQSZACIVSA-N 2 0 285.391 2.141 20 30 CEEDRP C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000582958734 366981791 /nfs/dbraw/zinc/98/17/91/366981791.db2.gz ZMMCECMBYSLQSW-BBRMVZONSA-N 2 0 257.381 2.078 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NCC[NH+]2CCCC2)cc1C ZINC000170907760 367445388 /nfs/dbraw/zinc/44/53/88/367445388.db2.gz TXAZVOBKSJLTPJ-UHFFFAOYSA-N 2 0 260.385 2.126 20 30 CEEDRP CCC[NH+](CCC)CCCNC(=[NH2+])Nc1ccccn1 ZINC000170909680 367445414 /nfs/dbraw/zinc/44/54/14/367445414.db2.gz KFGYFYMXGUFPSM-UHFFFAOYSA-N 2 0 277.416 2.320 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000349822474 369412121 /nfs/dbraw/zinc/41/21/21/369412121.db2.gz POSVSNZOZXPWFA-HOTGVXAUSA-N 2 0 287.407 2.409 20 30 CEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190772399 369651100 /nfs/dbraw/zinc/65/11/00/369651100.db2.gz SDCZTPYRGNUVMO-HNNXBMFYSA-N 2 0 288.439 2.498 20 30 CEEDRP N#CCC[C@H](C#N)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246824476 371016317 /nfs/dbraw/zinc/01/63/17/371016317.db2.gz NWRFMOJZAQQRIN-VYDXJSESSA-N 2 0 286.423 2.379 20 30 CEEDRP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248767632 371244132 /nfs/dbraw/zinc/24/41/32/371244132.db2.gz HATABNJNSMDAJC-BPLDGKMQSA-N 2 0 260.385 2.500 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274815421 374058528 /nfs/dbraw/zinc/05/85/28/374058528.db2.gz ZADKOZRGKZTCSQ-CGTJXYLNSA-N 2 0 288.435 2.424 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274815420 374059011 /nfs/dbraw/zinc/05/90/11/374059011.db2.gz ZADKOZRGKZTCSQ-BPQIPLTHSA-N 2 0 288.435 2.424 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020105 375354441 /nfs/dbraw/zinc/35/44/41/375354441.db2.gz DSDPURPWPGVSAR-XJKSGUPXSA-N 2 0 257.381 2.182 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000684773798 542065112 /nfs/dbraw/zinc/06/51/12/542065112.db2.gz ILSYPDIPTFPZFO-BPUTZDHNSA-N 2 0 266.429 2.288 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423099306 376993443 /nfs/dbraw/zinc/99/34/43/376993443.db2.gz LXZNQAIHIHKSBS-CVEARBPZSA-N 2 0 257.381 2.350 20 30 CEEDRP C=CCC[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681092 377808530 /nfs/dbraw/zinc/80/85/30/377808530.db2.gz HGRMWQBJPLQICH-OAHLLOKOSA-N 2 0 288.439 2.423 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000436289867 377822321 /nfs/dbraw/zinc/82/23/21/377822321.db2.gz IKPZYESMSCNASW-RBZJEDDUSA-N 2 0 266.429 2.286 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000294954318 378031731 /nfs/dbraw/zinc/03/17/31/378031731.db2.gz HUXNCIVZZABDHD-ALOPSCKCSA-N 2 0 284.403 2.413 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000449094165 378197636 /nfs/dbraw/zinc/19/76/36/378197636.db2.gz QOQXDNCWQRJIFC-LSDHHAIUSA-N 2 0 254.418 2.168 20 30 CEEDRP Cc1nccn1C[C@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450467689 378434111 /nfs/dbraw/zinc/43/41/11/378434111.db2.gz DTRMUCBZOGZGIV-CQSZACIVSA-N 2 0 258.369 2.350 20 30 CEEDRP CNC(NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1)=[NH+]C ZINC000363585594 394880904 /nfs/dbraw/zinc/88/09/04/394880904.db2.gz JQDHGNIEFZQZSV-JSGCOSHPSA-N 2 0 294.830 2.128 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523684 394944596 /nfs/dbraw/zinc/94/45/96/394944596.db2.gz YZPAJKLDYMWNJF-LOWVWBTDSA-N 2 0 261.344 2.475 20 30 CEEDRP C=CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339657732 394966500 /nfs/dbraw/zinc/96/65/00/394966500.db2.gz DAGLIAUCGSTJCM-YIONKMFJSA-N 2 0 252.402 2.136 20 30 CEEDRP C=CCCCCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000373277870 395057580 /nfs/dbraw/zinc/05/75/80/395057580.db2.gz JFPDDPBRGIRCPI-KRWDZBQOSA-N 2 0 279.472 2.445 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650711871 401001586 /nfs/dbraw/zinc/00/15/86/401001586.db2.gz GWSLGQWTXHXUBW-UHFFFAOYSA-N 2 0 290.407 2.479 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000651765484 401386703 /nfs/dbraw/zinc/38/67/03/401386703.db2.gz TUAVZIWSDZTMGC-BBWFWOEESA-N 2 0 279.472 2.347 20 30 CEEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000040621181 174354711 /nfs/dbraw/zinc/35/47/11/174354711.db2.gz CEBLELLRJQCOFD-MRXNPFEDSA-N 2 0 257.381 2.378 20 30 CEEDRP C=CC[C@]1(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CCC[NH2+]1 ZINC000662735363 415949135 /nfs/dbraw/zinc/94/91/35/415949135.db2.gz NBTYQYRKVFEHJF-NVXWUHKLSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[C@]1(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000662746287 415950976 /nfs/dbraw/zinc/95/09/76/415950976.db2.gz RXNFBTZCOUFVPE-DOTOQJQBSA-N 2 0 293.455 2.018 20 30 CEEDRP N#CCCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363506473 260782912 /nfs/dbraw/zinc/78/29/12/260782912.db2.gz LANKTZTYMDKPRY-UHFFFAOYSA-N 2 0 279.428 2.115 20 30 CEEDRP Cc1ccc([C@@H](CNC2=[NH+]CCN2C)[NH+]2CCCC2)cc1 ZINC000262673956 262782216 /nfs/dbraw/zinc/78/22/16/262782216.db2.gz SIGYSQXUTVVWPU-MRXNPFEDSA-N 2 0 286.423 2.023 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367601598 267103543 /nfs/dbraw/zinc/10/35/43/267103543.db2.gz OPXITYIETQCMKH-BFHYXJOUSA-N 2 0 254.443 2.368 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421340275 267144525 /nfs/dbraw/zinc/14/45/25/267144525.db2.gz ICGCAJKNPLSTGT-HNNXBMFYSA-N 2 0 293.386 2.144 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)CC2 ZINC000423512174 281057071 /nfs/dbraw/zinc/05/70/71/281057071.db2.gz QRMAVBXTKCPJDD-SGIREYDYSA-N 2 0 255.365 2.263 20 30 CEEDRP C[C@@H](CC[NH+]=C(N(C)C)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000266997078 328171306 /nfs/dbraw/zinc/17/13/06/328171306.db2.gz YBQMDKNATQJWID-HNNXBMFYSA-N 2 0 290.455 2.376 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185887249 329334406 /nfs/dbraw/zinc/33/44/06/329334406.db2.gz BZJGYNBOFNTLSD-KKUMJFAQSA-N 2 0 267.417 2.015 20 30 CEEDRP CC[NH+]=C(NCC1(C)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262389138 330012276 /nfs/dbraw/zinc/01/22/76/330012276.db2.gz LUGRDYZOFMRUOB-HNNXBMFYSA-N 2 0 292.471 2.312 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH+]C)N1CCc2ccccc21 ZINC000262944451 330037296 /nfs/dbraw/zinc/03/72/96/330037296.db2.gz AQBUWQPJSVIOTI-OAHLLOKOSA-N 2 0 286.423 2.109 20 30 CEEDRP C=CCSCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422950583 330163758 /nfs/dbraw/zinc/16/37/58/330163758.db2.gz YKIJKSGFNBFUMR-NSHDSACASA-N 2 0 265.426 2.419 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000423021943 330165750 /nfs/dbraw/zinc/16/57/50/330165750.db2.gz DBCKQHFDCDEZDI-NUEKZKHPSA-N 2 0 260.381 2.042 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095696 330169819 /nfs/dbraw/zinc/16/98/19/330169819.db2.gz MZVZKZRFTBQEEB-QPSCCSFWSA-N 2 0 252.402 2.088 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423189227 330175800 /nfs/dbraw/zinc/17/58/00/330175800.db2.gz QPYQSEOGGSPXAY-OAHLLOKOSA-N 2 0 253.434 2.006 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386440 330199697 /nfs/dbraw/zinc/19/96/97/330199697.db2.gz LFTLCPQGLDBQJJ-XQQFMLRXSA-N 2 0 293.377 2.013 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000424383805 330349520 /nfs/dbraw/zinc/34/95/20/330349520.db2.gz UKRDIAWQIIXDCS-DDWPSWQVSA-N 2 0 258.365 2.312 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000424383806 330349523 /nfs/dbraw/zinc/34/95/23/330349523.db2.gz UKRDIAWQIIXDCS-KSYCFECVSA-N 2 0 258.365 2.312 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1CC1 ZINC000121093113 330396194 /nfs/dbraw/zinc/39/61/94/330396194.db2.gz BJDRMAJRTVLULQ-IRXDYDNUSA-N 2 0 280.456 2.414 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](C)Cc1ccsc1 ZINC000491452094 332213977 /nfs/dbraw/zinc/21/39/77/332213977.db2.gz JIVURXDTZZCDDY-CYBMUJFWSA-N 2 0 250.411 2.224 20 30 CEEDRP C#CC[N@@H+](C)CCCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000491782920 332346573 /nfs/dbraw/zinc/34/65/73/332346573.db2.gz OKOOWVIFXFFYOP-UHFFFAOYSA-N 2 0 272.396 2.140 20 30 CEEDRP N#CCC[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000516761546 333082058 /nfs/dbraw/zinc/08/20/58/333082058.db2.gz ISCNUSLKYPJAMR-UHFFFAOYSA-N 2 0 287.407 2.207 20 30 CEEDRP CCNC(NCC1([NH+](C)C)CCCCCC1)=[NH+]CC ZINC000727242895 574449390 /nfs/dbraw/zinc/44/93/90/574449390.db2.gz PYVKOAPCIXVYRE-UHFFFAOYSA-N 2 0 268.449 2.216 20 30 CEEDRP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000963912584 613859264 /nfs/dbraw/zinc/85/92/64/613859264.db2.gz MWSVKUAJIMQCGN-QQFBHYJXSA-N 2 0 293.455 2.016 20 30 CEEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)N1CCCCC1 ZINC000304755361 622633939 /nfs/dbraw/zinc/63/39/39/622633939.db2.gz MPYHANIOOLJYAV-UHFFFAOYSA-N 2 0 280.460 2.443 20 30 CEEDRP C=CCN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000820809666 634535401 /nfs/dbraw/zinc/53/54/01/634535401.db2.gz GBCOMVCYPBSRQC-ZNXRZULTSA-N 2 0 289.467 2.384 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925702427 628540697 /nfs/dbraw/zinc/54/06/97/628540697.db2.gz CUQOLCAPNYBCDM-DGAVXFQQSA-N 2 0 252.402 2.073 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N1CCSCC1 ZINC000303907222 631093656 /nfs/dbraw/zinc/09/36/56/631093656.db2.gz WSNJXOCGYXOOCZ-AWEZNQCLSA-N 2 0 298.500 2.005 20 30 CEEDRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237445998 631676134 /nfs/dbraw/zinc/67/61/34/631676134.db2.gz OQAPTUFKOPILJZ-KGLIPLIRSA-N 2 0 275.396 2.407 20 30 CEEDRP C#Cc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000809565806 632100769 /nfs/dbraw/zinc/10/07/69/632100769.db2.gz AUAVJLSWOQPSJX-UHFFFAOYSA-N 2 0 256.393 2.442 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000809602206 632107672 /nfs/dbraw/zinc/10/76/72/632107672.db2.gz KWXCCFVGUOSVHO-SFHVURJKSA-N 2 0 286.419 2.114 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000900321250 633672252 /nfs/dbraw/zinc/67/22/52/633672252.db2.gz QKLHAYDKWPGBGQ-WMLDXEAASA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000900659519 633796052 /nfs/dbraw/zinc/79/60/52/633796052.db2.gz OUJBCZCHXIXMJL-UHFFFAOYSA-N 2 0 295.471 2.217 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000817954727 633798513 /nfs/dbraw/zinc/79/85/13/633798513.db2.gz HXQAJOQYWGHGSD-LSDHHAIUSA-N 2 0 272.392 2.349 20 30 CEEDRP C[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817968046 633811532 /nfs/dbraw/zinc/81/15/32/633811532.db2.gz NSEOSFNQXDYAOT-ZDUSSCGKSA-N 2 0 271.364 2.159 20 30 CEEDRP C#CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903120761 634980513 /nfs/dbraw/zinc/98/05/13/634980513.db2.gz OOIIMMZWMNYWCP-LQDVMPOASA-N 2 0 264.438 2.100 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000903425280 635112992 /nfs/dbraw/zinc/11/29/92/635112992.db2.gz ZDYFRJDPDTVKBO-CJNGLKHVSA-N 2 0 257.381 2.344 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000903461079 635125877 /nfs/dbraw/zinc/12/58/77/635125877.db2.gz OLMTWPWOQFICQP-ZFWWWQNUSA-N 2 0 257.381 2.487 20 30 CEEDRP C[C@]1(C[NH3+])CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903451797 635135875 /nfs/dbraw/zinc/13/58/75/635135875.db2.gz DSJHYUJHMJGOJJ-CQSZACIVSA-N 2 0 263.772 2.382 20 30 CEEDRP N#CC1CCC(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000903452663 635136801 /nfs/dbraw/zinc/13/68/01/635136801.db2.gz PTCBOTSOQCEDFD-UYSNPLJNSA-N 2 0 261.413 2.392 20 30 CEEDRP N#CC1CCC(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000903453911 635136819 /nfs/dbraw/zinc/13/68/19/635136819.db2.gz PEISFWAXVZJYBA-GPANFISMSA-N 2 0 261.413 2.392 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734577 635250504 /nfs/dbraw/zinc/25/05/04/635250504.db2.gz SAKBRTMTGCEWHM-HOTGVXAUSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810495 635285403 /nfs/dbraw/zinc/28/54/03/635285403.db2.gz CGJLWYICHZRHDD-GJZGRUSLSA-N 2 0 266.429 2.297 20 30 CEEDRP N#Cc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000903823067 635291263 /nfs/dbraw/zinc/29/12/63/635291263.db2.gz CEKKDUKUIMNCJT-GOSISDBHSA-N 2 0 299.418 2.321 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708294 638384666 /nfs/dbraw/zinc/38/46/66/638384666.db2.gz VPXKZNNGXNCDRD-GJZGRUSLSA-N 2 0 283.460 2.262 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911855527 638444885 /nfs/dbraw/zinc/44/48/85/638444885.db2.gz HYZKEVJUCKHPHS-OWCLPIDISA-N 2 0 295.471 2.417 20 30 CEEDRP CC(C)[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912506393 638712002 /nfs/dbraw/zinc/71/20/02/638712002.db2.gz NODCEJSWCYJVJU-CYBMUJFWSA-N 2 0 280.460 2.213 20 30 CEEDRP CCC[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912509671 638714030 /nfs/dbraw/zinc/71/40/30/638714030.db2.gz OGJCUJQHSAXNFF-CQSZACIVSA-N 2 0 282.476 2.460 20 30 CEEDRP N#CCCNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000914796058 640470657 /nfs/dbraw/zinc/47/06/57/640470657.db2.gz LDUSIOZYOXMEFL-UHFFFAOYSA-N 2 0 273.380 2.164 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC000993609409 640658437 /nfs/dbraw/zinc/65/84/37/640658437.db2.gz BNQFRWYMNCPQDP-CZUORRHYSA-N 2 0 298.390 2.103 20 30 CEEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)NC1CC1 ZINC000068041925 641370940 /nfs/dbraw/zinc/37/09/40/641370940.db2.gz CGYQLCHYVQXYRW-OAHLLOKOSA-N 2 0 278.444 2.098 20 30 CEEDRP C(C[NH+]1CCCCC1)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848402814 641979034 /nfs/dbraw/zinc/97/90/34/641979034.db2.gz IEWDFVGJKBLHHC-MRXNPFEDSA-N 2 0 278.444 2.066 20 30 CEEDRP CC(C)NC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052651 642042167 /nfs/dbraw/zinc/04/21/67/642042167.db2.gz GBTQOLAVASQBLR-AWEZNQCLSA-N 2 0 276.428 2.210 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001003011665 642891145 /nfs/dbraw/zinc/89/11/45/642891145.db2.gz PSRLYBCJUACLAK-MRXNPFEDSA-N 2 0 293.455 2.016 20 30 CEEDRP C#CCCCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000877639799 650829418 /nfs/dbraw/zinc/82/94/18/650829418.db2.gz GAWOCOVWPMQQRX-QGZVFWFLSA-N 2 0 278.440 2.101 20 30 CEEDRP N#Cc1cccc(C2([NH2+]CCC[NH2+]C3CC3)CCOCC2)c1 ZINC000923387372 643692902 /nfs/dbraw/zinc/69/29/02/643692902.db2.gz DMFFUCUWDYZUJG-UHFFFAOYSA-N 2 0 299.418 2.296 20 30 CEEDRP N#CC1CCC(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)CC1 ZINC000923447641 643715501 /nfs/dbraw/zinc/71/55/01/643715501.db2.gz VJQDPIYZNHAJOB-GPANFISMSA-N 2 0 291.439 2.146 20 30 CEEDRP C#CC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862444525 646462480 /nfs/dbraw/zinc/46/24/80/646462480.db2.gz BKHFILKVYMWXPE-QGZVFWFLSA-N 2 0 297.446 2.284 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C#N)ccc2N(C)C)C1 ZINC000865417264 647284137 /nfs/dbraw/zinc/28/41/37/647284137.db2.gz DWMVDLKTYLACJP-HNNXBMFYSA-N 2 0 286.423 2.056 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000865847923 647491926 /nfs/dbraw/zinc/49/19/26/647491926.db2.gz PSSRNYGUVAQELA-KURKYZTESA-N 2 0 281.403 2.242 20 30 CEEDRP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(C#N)c1[O-] ZINC000866363535 647756898 /nfs/dbraw/zinc/75/68/98/647756898.db2.gz JMORWJVYFABBFD-NWDGAFQWSA-N 2 0 261.369 2.112 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249023 651270034 /nfs/dbraw/zinc/27/00/34/651270034.db2.gz BSMZMSGUMSLACO-HNNXBMFYSA-N 2 0 266.429 2.121 20 30 CEEDRP C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000883401142 652457101 /nfs/dbraw/zinc/45/71/01/652457101.db2.gz DLMRQTIQPNWQNG-INIZCTEOSA-N 2 0 292.423 2.044 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000134035848 652759268 /nfs/dbraw/zinc/75/92/68/652759268.db2.gz VSDFDTGGLCMPPX-AWEZNQCLSA-N 2 0 280.460 2.201 20 30 CEEDRP C[C@@H](CC[NH2+]Cc1ccc(N(C)CCC#N)cc1)[NH+](C)C ZINC000895300401 805796550 /nfs/dbraw/zinc/79/65/50/805796550.db2.gz WSPFJJBLNRYOAV-HNNXBMFYSA-N 2 0 288.439 2.466 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001271447508 805959846 /nfs/dbraw/zinc/95/98/46/805959846.db2.gz KXALJUWZFIZHLB-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100899866 806317264 /nfs/dbraw/zinc/31/72/64/806317264.db2.gz FWYGTUBKPNPCMT-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CC1(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001167045313 802315463 /nfs/dbraw/zinc/31/54/63/802315463.db2.gz SIUMSBFQDCDAJA-OAHLLOKOSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266362840 802490720 /nfs/dbraw/zinc/49/07/20/802490720.db2.gz WTHAVVYEIOMSHU-MRXNPFEDSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397587707 802671929 /nfs/dbraw/zinc/67/19/29/802671929.db2.gz HVYFHAWCOIFWJU-UHFFFAOYSA-N 2 0 274.408 2.179 20 30 CEEDRP C=C(C)C[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001266621416 802789769 /nfs/dbraw/zinc/78/97/69/802789769.db2.gz DLWHKNZDIDCCMR-GASCZTMLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066275 807002467 /nfs/dbraw/zinc/00/24/67/807002467.db2.gz KUSAGJCBANNKCU-INIZCTEOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135179838 813379342 /nfs/dbraw/zinc/37/93/42/813379342.db2.gz AFKKOZMSFMRBGG-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181473 813379902 /nfs/dbraw/zinc/37/99/02/813379902.db2.gz PZEJVXSKUHXREG-CABCVRRESA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167636315 803225233 /nfs/dbraw/zinc/22/52/33/803225233.db2.gz RXSCTPCAPLHQMN-INIZCTEOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268404004 804656090 /nfs/dbraw/zinc/65/60/90/804656090.db2.gz POIBLPPHFLJGPH-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001269184001 805072489 /nfs/dbraw/zinc/07/24/89/805072489.db2.gz XGCUXIKAIIVLRC-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001046316305 807545430 /nfs/dbraw/zinc/54/54/30/807545430.db2.gz NUJSRVBHDNPDAK-NVXWUHKLSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCCCCC[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC001171583811 815192830 /nfs/dbraw/zinc/19/28/30/815192830.db2.gz RAARAYARWBXGAJ-HNNXBMFYSA-N 2 0 256.434 2.345 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168653645 808849742 /nfs/dbraw/zinc/84/97/42/808849742.db2.gz ZECJKBIERMGYER-MRXNPFEDSA-N 2 0 297.487 2.415 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCC1 ZINC001280497557 809246376 /nfs/dbraw/zinc/24/63/76/809246376.db2.gz RHFINWBQXBROBC-UHFFFAOYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033899490 809446898 /nfs/dbraw/zinc/44/68/98/809446898.db2.gz ZLMZVKHPMKNVBN-MRXNPFEDSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034241294 809561562 /nfs/dbraw/zinc/56/15/62/809561562.db2.gz XKGVWXAONMIXSB-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH2+]C)cc1 ZINC001118057050 809818811 /nfs/dbraw/zinc/81/88/11/809818811.db2.gz AANIATZDNIHVOJ-KBPBESRZSA-N 2 0 260.381 2.347 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001019071851 810675629 /nfs/dbraw/zinc/67/56/29/810675629.db2.gz DVMFJCIQAALZGY-AWEZNQCLSA-N 2 0 298.390 2.023 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC001085244921 810703262 /nfs/dbraw/zinc/70/32/62/810703262.db2.gz DOSPMQJZDKCTJU-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001046415785 811751471 /nfs/dbraw/zinc/75/14/71/811751471.db2.gz RWZZFFXSQFDHEY-KRWDZBQOSA-N 2 0 298.390 2.333 20 30 CEEDRP C=CCCC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156530088 811800255 /nfs/dbraw/zinc/80/02/55/811800255.db2.gz KJHZOJPLIBJYJP-OAHLLOKOSA-N 2 0 283.460 2.121 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001112987709 812135520 /nfs/dbraw/zinc/13/55/20/812135520.db2.gz UHMCVMCYSCUQBM-CVEARBPZSA-N 2 0 295.471 2.072 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130809544 812607549 /nfs/dbraw/zinc/60/75/49/812607549.db2.gz DXQFLFNJNQGNTK-UHFFFAOYSA-N 2 0 295.471 2.291 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131372796 812662558 /nfs/dbraw/zinc/66/25/58/812662558.db2.gz RGEMXCOTMYALTQ-CYBMUJFWSA-N 2 0 286.379 2.008 20 30 CEEDRP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795490 812947596 /nfs/dbraw/zinc/94/75/96/812947596.db2.gz SFYMRICLCMMNGG-INIZCTEOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052255161 812958234 /nfs/dbraw/zinc/95/82/34/812958234.db2.gz WRKWKRSAIXIYSY-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584532 813292658 /nfs/dbraw/zinc/29/26/58/813292658.db2.gz UYCLXBPLPDGMJA-HUUCEWRRSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773737 813322912 /nfs/dbraw/zinc/32/29/12/813322912.db2.gz RCPWYJDOZPDLSK-KGLIPLIRSA-N 2 0 283.460 2.166 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071686020 813464063 /nfs/dbraw/zinc/46/40/63/813464063.db2.gz LZGTYQGCARYBSC-HIFRSBDPSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788462 813524540 /nfs/dbraw/zinc/52/45/40/813524540.db2.gz FTFXZNAHKKHVHV-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP N#CCc1cc2ccccc2c(N[C@H]([NH3+])CCC[NH3+])c1 ZINC001170904787 813631597 /nfs/dbraw/zinc/63/15/97/813631597.db2.gz PDLPMSMZVQZMEH-INIZCTEOSA-N 2 0 268.364 2.341 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246097748 813686967 /nfs/dbraw/zinc/68/69/67/813686967.db2.gz IHQXLQSACWNNPO-QVOMUQBLSA-N 2 0 266.429 2.335 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274131 813754667 /nfs/dbraw/zinc/75/46/67/813754667.db2.gz PKQGTSYIVIQYCU-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100890141 814199473 /nfs/dbraw/zinc/19/94/73/814199473.db2.gz NLKGEYZCJWBONM-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100901644 814201848 /nfs/dbraw/zinc/20/18/48/814201848.db2.gz GNRFEWQUGAKYAY-FHERZECASA-N 2 0 295.471 2.167 20 30 CEEDRP N#CCc1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206198644 815711693 /nfs/dbraw/zinc/71/16/93/815711693.db2.gz NDCQDXHFWQZPJB-GJZGRUSLSA-N 2 0 261.344 2.014 20 30 CEEDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(C#N)c(F)c1)CC2 ZINC001139530458 816040384 /nfs/dbraw/zinc/04/03/84/816040384.db2.gz MKCVEOLJPKPDCO-UHFFFAOYSA-N 2 0 273.355 2.225 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001174906751 816107546 /nfs/dbraw/zinc/10/75/46/816107546.db2.gz XCEPCMZJDKGOHT-JYJNAYRXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+]CCCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001177317798 816546183 /nfs/dbraw/zinc/54/61/83/816546183.db2.gz GKUYALRLIYRMGZ-UHFFFAOYSA-N 2 0 293.411 2.017 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)CCC[NH+](C)C ZINC001179402893 816857554 /nfs/dbraw/zinc/85/75/54/816857554.db2.gz FYMBTQICLHETTC-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288656001 344681404 /nfs/dbraw/zinc/68/14/04/344681404.db2.gz FWBUIRYGVRHZBY-UHFFFAOYSA-N 2 0 284.354 2.423 20 30 CEEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404105720 530049367 /nfs/dbraw/zinc/04/93/67/530049367.db2.gz HQMGHWIZRCRMRK-UHFFFAOYSA-N 2 0 261.344 2.129 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000591578297 345266023 /nfs/dbraw/zinc/26/60/23/345266023.db2.gz NDQYVCUFCDXGDM-BXUZGUMPSA-N 2 0 261.344 2.490 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000592470969 345358439 /nfs/dbraw/zinc/35/84/39/345358439.db2.gz PXTAJIAXPDLWDW-AEGPPILISA-N 2 0 273.355 2.175 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322863 345466544 /nfs/dbraw/zinc/46/65/44/345466544.db2.gz PFPJHJYVMJQFHB-KURKYZTESA-N 2 0 299.418 2.419 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000593730192 345528910 /nfs/dbraw/zinc/52/89/10/345528910.db2.gz LPHUPMKAYWMLJI-KSZLIROESA-N 2 0 299.418 2.419 20 30 CEEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000595001034 345724124 /nfs/dbraw/zinc/72/41/24/345724124.db2.gz PFZCAKSYFJAQFY-UHFFFAOYSA-N 2 0 273.380 2.363 20 30 CEEDRP C[N@H+](CCc1ccc(C#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000595328954 345763098 /nfs/dbraw/zinc/76/30/98/345763098.db2.gz CQJXRLKKMKPAOY-KRWDZBQOSA-N 2 0 271.408 2.374 20 30 CEEDRP CC[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595895926 345909440 /nfs/dbraw/zinc/90/94/40/345909440.db2.gz WKVJTUZRZJDCQO-HOTGVXAUSA-N 2 0 257.381 2.160 20 30 CEEDRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000596105943 345940711 /nfs/dbraw/zinc/94/07/11/345940711.db2.gz NUPFFMFFKLGFIV-CQSZACIVSA-N 2 0 261.369 2.030 20 30 CEEDRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CC(C)(C)C#N ZINC000598595511 346380461 /nfs/dbraw/zinc/38/04/61/346380461.db2.gz OUYUAISOMOBMRC-CABCVRRESA-N 2 0 281.444 2.093 20 30 CEEDRP C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000598598796 346380939 /nfs/dbraw/zinc/38/09/39/346380939.db2.gz VWSOIBSXOMHMCJ-QLFBSQMISA-N 2 0 290.411 2.067 20 30 CEEDRP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C#N ZINC000600709069 346674867 /nfs/dbraw/zinc/67/48/67/346674867.db2.gz NYPZCYMZLVHIHD-USXIJHARSA-N 2 0 269.392 2.426 20 30 CEEDRP N#CCc1cccc2c1CCN(C[C@@H]1CCC[NH2+]C1)C2 ZINC000600752437 346684496 /nfs/dbraw/zinc/68/44/96/346684496.db2.gz XFTVILJSLWWDLD-CQSZACIVSA-N 2 0 269.392 2.110 20 30 CEEDRP C[NH+](C)CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000285692500 136665795 /nfs/dbraw/zinc/66/57/95/136665795.db2.gz ONSKRMZSUMXIJH-UHFFFAOYSA-N 2 0 286.423 2.068 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602683128 347143471 /nfs/dbraw/zinc/14/34/71/347143471.db2.gz PKQNZGQVCMTMOK-WZYMTQMTSA-N 2 0 291.439 2.300 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623512475 350038416 /nfs/dbraw/zinc/03/84/16/350038416.db2.gz IZLSSQNSVBAXFA-ZNMIVQPWSA-N 2 0 266.429 2.430 20 30 CEEDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000157790649 188339389 /nfs/dbraw/zinc/33/93/89/188339389.db2.gz YMQZKSRGBYQAPV-DZGCQCFKSA-N 2 0 273.380 2.161 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000133651630 366244142 /nfs/dbraw/zinc/24/41/42/366244142.db2.gz HHDAAYUFUAXDOP-KEYYUXOJSA-N 2 0 287.407 2.255 20 30 CEEDRP CCCC[N@H+](C)CC1CC[NH+](CCOCCC#N)CC1 ZINC000338914772 366570003 /nfs/dbraw/zinc/57/00/03/366570003.db2.gz CJDGHXFPGAQENV-UHFFFAOYSA-N 2 0 281.444 2.361 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1C#N ZINC000151066647 366616714 /nfs/dbraw/zinc/61/67/14/366616714.db2.gz XYWBKCYTJHMNPK-IUODEOHRSA-N 2 0 285.391 2.282 20 30 CEEDRP C=C(C)[C@H](CO)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047886 540976050 /nfs/dbraw/zinc/97/60/50/540976050.db2.gz JAGQGRNBSDRMDD-MSOLQXFVSA-N 2 0 288.435 2.377 20 30 CEEDRP CC[NH+](CC)CCCC1CC[NH+](CC#CCOC)CC1 ZINC000679874412 541329027 /nfs/dbraw/zinc/32/90/27/541329027.db2.gz VGRNRVDMOFVZAQ-UHFFFAOYSA-N 2 0 280.456 2.470 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000334979847 364303833 /nfs/dbraw/zinc/30/38/33/364303833.db2.gz JWGSVCMYBPILRS-DLBZAZTESA-N 2 0 269.392 2.380 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000335019529 364359995 /nfs/dbraw/zinc/35/99/95/364359995.db2.gz PJPAANJSJCQYSX-XJKSGUPXSA-N 2 0 255.365 2.135 20 30 CEEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000335562890 364805644 /nfs/dbraw/zinc/80/56/44/364805644.db2.gz ZVKHSQZRQPDXIG-BXXFKTFBSA-N 2 0 281.403 2.198 20 30 CEEDRP C#CCOc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1 ZINC000113311070 364887235 /nfs/dbraw/zinc/88/72/35/364887235.db2.gz UJKHAYHIUZNIGJ-UHFFFAOYSA-N 2 0 274.408 2.376 20 30 CEEDRP C=CCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343715444 367970098 /nfs/dbraw/zinc/97/00/98/367970098.db2.gz ALRWAPFVHCKZKJ-HNNXBMFYSA-N 2 0 265.445 2.053 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179712259 368349097 /nfs/dbraw/zinc/34/90/97/368349097.db2.gz ROISVPZPLFTVHM-CYBMUJFWSA-N 2 0 289.427 2.001 20 30 CEEDRP C=CCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000190006615 369587722 /nfs/dbraw/zinc/58/77/22/369587722.db2.gz XDDSTPRCZSPVGE-HUUCEWRRSA-N 2 0 254.418 2.289 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000227327036 370366535 /nfs/dbraw/zinc/36/65/35/370366535.db2.gz KHVIGJZHFDQJAO-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000264073835 371962594 /nfs/dbraw/zinc/96/25/94/371962594.db2.gz GQSYCCIJNLBCAQ-CQSZACIVSA-N 2 0 288.439 2.343 20 30 CEEDRP CCNC(=[NH2+])NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000264081570 371965046 /nfs/dbraw/zinc/96/50/46/371965046.db2.gz IOJFOKVNQURHPY-ZDUSSCGKSA-N 2 0 294.468 2.445 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368424584 373240031 /nfs/dbraw/zinc/24/00/31/373240031.db2.gz LWULOTCKXLUOFK-BZUAXINKSA-N 2 0 298.496 2.385 20 30 CEEDRP C=CCCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371421976 373877009 /nfs/dbraw/zinc/87/70/09/373877009.db2.gz CHASTLCMFVWFMY-INIZCTEOSA-N 2 0 265.445 2.053 20 30 CEEDRP C=C(C)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420985833 376755889 /nfs/dbraw/zinc/75/58/89/376755889.db2.gz WZBSXZVCGXCAJC-UHFFFAOYSA-N 2 0 265.445 2.055 20 30 CEEDRP COCC1(C[NH2+][C@H](C)c2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000423413727 377269884 /nfs/dbraw/zinc/26/98/84/377269884.db2.gz ZWIWYYPWTLFSPY-CQSZACIVSA-N 2 0 287.407 2.225 20 30 CEEDRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000037621613 394497081 /nfs/dbraw/zinc/49/70/81/394497081.db2.gz ODAIBQKUDWUGLX-GXTWGEPZSA-N 2 0 255.406 2.335 20 30 CEEDRP C=CCC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000320661393 394546531 /nfs/dbraw/zinc/54/65/31/394546531.db2.gz QOGQSDPVYLCNKH-QLFBSQMISA-N 2 0 254.418 2.214 20 30 CEEDRP Cc1ccc([C@@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262686654 394624213 /nfs/dbraw/zinc/62/42/13/394624213.db2.gz YODJJKZUEBGVBH-GOEBONIOSA-N 2 0 286.423 2.069 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccccc1 ZINC000104153209 394717837 /nfs/dbraw/zinc/71/78/37/394717837.db2.gz SXDLHTVDABXPQJ-MRXNPFEDSA-N 2 0 288.439 2.008 20 30 CEEDRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000275057346 394804955 /nfs/dbraw/zinc/80/49/55/394804955.db2.gz XUHQJHQCHQRPRT-BBRMVZONSA-N 2 0 257.381 2.330 20 30 CEEDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CC(C)(C)CCC#N)CC2)C1 ZINC000362377770 394857439 /nfs/dbraw/zinc/85/74/39/394857439.db2.gz ZWPIIYNQUUZDNH-MRXNPFEDSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CCOCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000339139186 394945966 /nfs/dbraw/zinc/94/59/66/394945966.db2.gz CPROIGJGARBSID-ROUUACIJSA-N 2 0 286.419 2.253 20 30 CEEDRP COc1ccc(C#N)cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000153635534 395013139 /nfs/dbraw/zinc/01/31/39/395013139.db2.gz BZADXDPEBQABTK-WBVHZDCISA-N 2 0 299.418 2.483 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840962 395109268 /nfs/dbraw/zinc/10/92/68/395109268.db2.gz GXYAFTHUMYGKIB-CWRNSKLLSA-N 2 0 272.392 2.421 20 30 CEEDRP C=CCCCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000181368281 395214391 /nfs/dbraw/zinc/21/43/91/395214391.db2.gz SIQAHFZZRIOLCL-UHFFFAOYSA-N 2 0 267.461 2.302 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353616948 395303385 /nfs/dbraw/zinc/30/33/85/395303385.db2.gz CFKDXUGXDVZHSL-RBSFLKMASA-N 2 0 252.402 2.042 20 30 CEEDRP C=CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CC1 ZINC000442869511 395397300 /nfs/dbraw/zinc/39/73/00/395397300.db2.gz DMNHYLDCIPHNOH-INIZCTEOSA-N 2 0 279.472 2.347 20 30 CEEDRP N#Cc1ccccc1OC1CCC([NH2+][C@H]2CC[NH2+]C2)CC1 ZINC000574031626 395624663 /nfs/dbraw/zinc/62/46/63/395624663.db2.gz FBVXYNBGNGJSCI-PCKAHOCUSA-N 2 0 285.391 2.200 20 30 CEEDRP C=CCCCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106679 396294992 /nfs/dbraw/zinc/29/49/92/396294992.db2.gz LLDGSXKMOJVVDN-UHFFFAOYSA-N 2 0 252.402 2.139 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000651750325 401383008 /nfs/dbraw/zinc/38/30/08/401383008.db2.gz CWIWYCIGGQCYPF-SJORKVTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000657886193 415114241 /nfs/dbraw/zinc/11/42/41/415114241.db2.gz ILEMKQUPNNQBBT-GJZGRUSLSA-N 2 0 266.429 2.168 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000657987709 415147217 /nfs/dbraw/zinc/14/72/17/415147217.db2.gz SYSCHQCHTMNQET-HUUCEWRRSA-N 2 0 254.418 2.289 20 30 CEEDRP C=CCN(CCc1ccco1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660225685 415930013 /nfs/dbraw/zinc/93/00/13/415930013.db2.gz QMKCJPWWWFLESQ-HNNXBMFYSA-N 2 0 280.412 2.011 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666950847 419488660 /nfs/dbraw/zinc/48/86/60/419488660.db2.gz MBOZXGWXEYXTKY-INIZCTEOSA-N 2 0 272.392 2.483 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000130544756 260397830 /nfs/dbraw/zinc/39/78/30/260397830.db2.gz OVSAYMBIYIQPKE-CVEARBPZSA-N 2 0 267.461 2.203 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170911245 261449401 /nfs/dbraw/zinc/44/94/01/261449401.db2.gz YNNFOHHNWZXDJU-CQSZACIVSA-N 2 0 288.439 2.437 20 30 CEEDRP CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000194539511 262239040 /nfs/dbraw/zinc/23/90/40/262239040.db2.gz VQTCFUDCBVNOCB-CALCHBBNSA-N 2 0 298.434 2.030 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CCCC[NH3+])cc1OC ZINC000414903783 263111454 /nfs/dbraw/zinc/11/14/54/263111454.db2.gz LRDBJDZRHLTOKB-UHFFFAOYSA-N 2 0 264.369 2.089 20 30 CEEDRP CN(C)C(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290738877 263118463 /nfs/dbraw/zinc/11/84/63/263118463.db2.gz WXNMZMIAXUVWNX-MRXNPFEDSA-N 2 0 288.439 2.165 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(OC)c1O ZINC000414953219 263159280 /nfs/dbraw/zinc/15/92/80/263159280.db2.gz JIPPHHUWHGAHNY-DOMZBBRYSA-N 2 0 290.407 2.217 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414961960 263166929 /nfs/dbraw/zinc/16/69/29/263166929.db2.gz ZKAVCNROCJQVEU-HIFRSBDPSA-N 2 0 260.381 2.482 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000425361279 264147747 /nfs/dbraw/zinc/14/77/47/264147747.db2.gz YQSUJJCFSLJBHY-YOEHRIQHSA-N 2 0 287.407 2.231 20 30 CEEDRP C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000186702367 327700340 /nfs/dbraw/zinc/70/03/40/327700340.db2.gz GNJMIIJEXUQCTL-HOCLYGCPSA-N 2 0 292.423 2.215 20 30 CEEDRP C=CCOc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414828649 328232932 /nfs/dbraw/zinc/23/29/32/328232932.db2.gz JDKXREZHOYNCLB-CQSZACIVSA-N 2 0 260.381 2.341 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000261570916 327353687 /nfs/dbraw/zinc/35/36/87/327353687.db2.gz PUHGGABHSRXDEO-ARFHVFGLSA-N 2 0 266.429 2.480 20 30 CEEDRP C=CCOCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000378547070 329054687 /nfs/dbraw/zinc/05/46/87/329054687.db2.gz RPWMHQAHPITRIW-WBVHZDCISA-N 2 0 289.423 2.084 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262417086 330008974 /nfs/dbraw/zinc/00/89/74/330008974.db2.gz QIVYDSRUQPRXBG-GXTWGEPZSA-N 2 0 294.468 2.444 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422994565 330163416 /nfs/dbraw/zinc/16/34/16/330163416.db2.gz VRVXTAZIJQCEMZ-LBPRGKRZSA-N 2 0 263.385 2.092 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423095698 330169966 /nfs/dbraw/zinc/16/99/66/330169966.db2.gz MZVZKZRFTBQEEB-XGUBFFRZSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000424374034 330348309 /nfs/dbraw/zinc/34/83/09/330348309.db2.gz IOQOXJQOEVVFCR-SIRPWMCASA-N 2 0 278.440 2.478 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000120985151 330394224 /nfs/dbraw/zinc/39/42/24/330394224.db2.gz MXRDWENLZHRQNC-DOTOQJQBSA-N 2 0 279.472 2.204 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC000451677755 331038572 /nfs/dbraw/zinc/03/85/72/331038572.db2.gz CKBWUMWTOFTRTN-CABCVRRESA-N 2 0 252.402 2.186 20 30 CEEDRP CCNC(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000195165006 331139213 /nfs/dbraw/zinc/13/92/13/331139213.db2.gz WSTWXJQUGCTGDP-MRXNPFEDSA-N 2 0 288.439 2.084 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000353308314 526421594 /nfs/dbraw/zinc/42/15/94/526421594.db2.gz AHPFNHLEYOVHHD-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP Cc1nccn1CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728712063 574468840 /nfs/dbraw/zinc/46/88/40/574468840.db2.gz ULHVVXYVVPZDCL-ZDUSSCGKSA-N 2 0 284.363 2.272 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000968915233 613348258 /nfs/dbraw/zinc/34/82/58/613348258.db2.gz DZADFZJNJLBIGZ-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970176605 613348623 /nfs/dbraw/zinc/34/86/23/613348623.db2.gz DXOIRAKYKQFMMN-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000261998772 624199301 /nfs/dbraw/zinc/19/93/01/624199301.db2.gz OSOJAHXNCRACSZ-SNVBAGLBSA-N 2 0 296.802 2.027 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165075 628527510 /nfs/dbraw/zinc/52/75/10/628527510.db2.gz GEQCFWIBBAVWIQ-GOEBONIOSA-N 2 0 288.439 2.211 20 30 CEEDRP CC(C)[C@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCCC1 ZINC000104160667 628630204 /nfs/dbraw/zinc/63/02/04/628630204.db2.gz CKSUUPBAFMMKQL-HNNXBMFYSA-N 2 0 282.476 2.366 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843690 628946398 /nfs/dbraw/zinc/94/63/98/628946398.db2.gz GXOFTYASIXHFHL-HZPDHXFCSA-N 2 0 267.461 2.252 20 30 CEEDRP C=CCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC000895365605 630142495 /nfs/dbraw/zinc/14/24/95/630142495.db2.gz FWLSVCTWCFFWMR-GOOCMWNKSA-N 2 0 264.413 2.327 20 30 CEEDRP COc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000303769421 631090157 /nfs/dbraw/zinc/09/01/57/631090157.db2.gz BAJHISOMXGKJPR-CQSZACIVSA-N 2 0 292.427 2.398 20 30 CEEDRP C#CCCOc1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000897621482 631826437 /nfs/dbraw/zinc/82/64/37/631826437.db2.gz CSZKSKBCUUEBGE-MJGOQNOKSA-N 2 0 298.430 2.472 20 30 CEEDRP N#Cc1ccc([C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000819268809 634122234 /nfs/dbraw/zinc/12/22/34/634122234.db2.gz VWXNDJHYCJEQTR-GOSISDBHSA-N 2 0 299.418 2.056 20 30 CEEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(C#N)ccn1 ZINC000903017958 634927343 /nfs/dbraw/zinc/92/73/43/634927343.db2.gz ULVXJMVDVHILTQ-KGLIPLIRSA-N 2 0 272.396 2.336 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000903453067 635137187 /nfs/dbraw/zinc/13/71/87/635137187.db2.gz XXHIRSBUDLWPCX-INIZCTEOSA-N 2 0 257.381 2.346 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903723921 635237378 /nfs/dbraw/zinc/23/73/78/635237378.db2.gz ZJVLUADLQCPGSH-ROUUACIJSA-N 2 0 286.419 2.443 20 30 CEEDRP C=CC[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765682 635258727 /nfs/dbraw/zinc/25/87/27/635258727.db2.gz KAEYMSAXTYNTQJ-HZPDHXFCSA-N 2 0 278.440 2.433 20 30 CEEDRP C=CCc1cc(C[NH2+]CCC(C)(C)[NH3+])cc(OC)c1O ZINC000903938434 635363881 /nfs/dbraw/zinc/36/38/81/635363881.db2.gz AHYKHLOBGYMERS-UHFFFAOYSA-N 2 0 278.396 2.346 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000826659933 635803566 /nfs/dbraw/zinc/80/35/66/635803566.db2.gz HPHUARCFTVSVBY-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000905602392 636336328 /nfs/dbraw/zinc/33/63/28/636336328.db2.gz UUXNGVGFWHPPGR-QQFBHYJXSA-N 2 0 274.412 2.427 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911788619 638412494 /nfs/dbraw/zinc/41/24/94/638412494.db2.gz CGKGCXMYIHZYMV-OAHLLOKOSA-N 2 0 287.407 2.108 20 30 CEEDRP CCCCCCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000172653594 639786190 /nfs/dbraw/zinc/78/61/90/639786190.db2.gz DQIYZQOUXIDJQU-UHFFFAOYSA-N 2 0 297.487 2.347 20 30 CEEDRP C#CC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000843427256 640426858 /nfs/dbraw/zinc/42/68/58/640426858.db2.gz XEAMDIGYIOVJIA-UHFFFAOYSA-N 2 0 280.375 2.421 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)c2ccn3c(C)cnc3c2)CC1 ZINC000996515437 642110239 /nfs/dbraw/zinc/11/02/39/642110239.db2.gz YMSSSWKXBPQRNB-UHFFFAOYSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997065071 642178625 /nfs/dbraw/zinc/17/86/25/642178625.db2.gz YJKLJZBIDPRZNS-INIZCTEOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCNC(=[NH2+])NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000848990106 642211387 /nfs/dbraw/zinc/21/13/87/642211387.db2.gz ZHDPCMUPGMOUIY-KBPBESRZSA-N 2 0 266.433 2.044 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NCC(C)(C)C[NH+]1CCCC1 ZINC000849021812 642235824 /nfs/dbraw/zinc/23/58/24/642235824.db2.gz JWVGXFHXMNIYEC-UHFFFAOYSA-N 2 0 292.427 2.067 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000997367211 642242803 /nfs/dbraw/zinc/24/28/03/642242803.db2.gz XRELCUNSLUHACY-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850354611 642680030 /nfs/dbraw/zinc/68/00/30/642680030.db2.gz PUUOTQXSILPZRG-UHFFFAOYSA-N 2 0 259.397 2.104 20 30 CEEDRP CCCCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708571 643519737 /nfs/dbraw/zinc/51/97/37/643519737.db2.gz FEZCCKDTUZIDQO-INIZCTEOSA-N 2 0 268.445 2.488 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000878020810 650975809 /nfs/dbraw/zinc/97/58/09/650975809.db2.gz QMSYOKBFMABAHV-YESZJQIVSA-N 2 0 279.472 2.441 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@H]2CCC[C@H]21 ZINC000866617582 647844299 /nfs/dbraw/zinc/84/42/99/647844299.db2.gz LTTKQRLGZDCDJL-AKHDSKFASA-N 2 0 295.430 2.488 20 30 CEEDRP N#Cc1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000866703181 647876101 /nfs/dbraw/zinc/87/61/01/647876101.db2.gz GPFFZPVJWVDDMI-UHFFFAOYSA-N 2 0 298.434 2.070 20 30 CEEDRP C[NH+](C)C1(C)CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000872359990 649365218 /nfs/dbraw/zinc/36/52/18/649365218.db2.gz WZASHLUHMVJIFK-MZBDJJRSSA-N 2 0 291.443 2.097 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254277 649610940 /nfs/dbraw/zinc/61/09/40/649610940.db2.gz PEYADDRQZYJOBX-KCQAQPDRSA-N 2 0 258.365 2.087 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873274187 649620806 /nfs/dbraw/zinc/62/08/06/649620806.db2.gz BKDCBKOIUSNMIO-JLZZUVOBSA-N 2 0 269.392 2.003 20 30 CEEDRP C#CCCCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000878693859 651166705 /nfs/dbraw/zinc/16/67/05/651166705.db2.gz HVHUZNBISBCHBD-UHFFFAOYSA-N 2 0 278.440 2.007 20 30 CEEDRP C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000883401143 652457337 /nfs/dbraw/zinc/45/73/37/652457337.db2.gz DLMRQTIQPNWQNG-MRXNPFEDSA-N 2 0 292.423 2.044 20 30 CEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001271020575 805718025 /nfs/dbraw/zinc/71/80/25/805718025.db2.gz ACFMZGXMEPZUBX-CVEARBPZSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001271060171 805729917 /nfs/dbraw/zinc/72/99/17/805729917.db2.gz RYWVISLGRGHBCV-HNNXBMFYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001271447503 805959837 /nfs/dbraw/zinc/95/98/37/805959837.db2.gz KXALJUWZFIZHLB-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001088375568 806157865 /nfs/dbraw/zinc/15/78/65/806157865.db2.gz KTDNSOHFUMUIST-JKSUJKDBSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001266472519 802620031 /nfs/dbraw/zinc/62/00/31/802620031.db2.gz LJHNVPOGQOBUSS-MRXNPFEDSA-N 2 0 295.471 2.075 20 30 CEEDRP C=C(C)C[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001266621418 802789262 /nfs/dbraw/zinc/78/92/62/802789262.db2.gz DLWHKNZDIDCCMR-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001266948734 803016109 /nfs/dbraw/zinc/01/61/09/803016109.db2.gz KPMVYYLLJTZDFC-AWEZNQCLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132437715 812851759 /nfs/dbraw/zinc/85/17/59/812851759.db2.gz XPCLWBKNRNJDKK-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267110380 803136690 /nfs/dbraw/zinc/13/66/90/803136690.db2.gz BBADQPOXRVUUQG-HZPDHXFCSA-N 2 0 295.471 2.072 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167627239 803217552 /nfs/dbraw/zinc/21/75/52/803217552.db2.gz MUUGMXLSKJBJMZ-INIZCTEOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCCC1 ZINC001115582130 814724206 /nfs/dbraw/zinc/72/42/06/814724206.db2.gz LUQDRIXZSAQESO-HNNXBMFYSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267584046 803569978 /nfs/dbraw/zinc/56/99/78/803569978.db2.gz BGYNFAZUUHFAEG-JKSUJKDBSA-N 2 0 295.471 2.073 20 30 CEEDRP C=CC[NH2+]C[C@@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267998065 803896481 /nfs/dbraw/zinc/89/64/81/803896481.db2.gz WZLWDLCMPPAVQZ-OAHLLOKOSA-N 2 0 295.471 2.026 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001268006215 803911974 /nfs/dbraw/zinc/91/19/74/803911974.db2.gz XTYGXBJKDJUOTN-OAHLLOKOSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480666 804086902 /nfs/dbraw/zinc/08/69/02/804086902.db2.gz KKMMXNSOYAATQK-HNNXBMFYSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001282161930 804539424 /nfs/dbraw/zinc/53/94/24/804539424.db2.gz RCTLFBBLBMITNX-LSDHHAIUSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[NH2+]CCN(CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268482761 804738569 /nfs/dbraw/zinc/73/85/69/804738569.db2.gz WVTPUCMMNXEAMG-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268594841 804870951 /nfs/dbraw/zinc/87/09/51/804870951.db2.gz GDWRUQYMPICTHP-WAVCKPEOSA-N 2 0 293.455 2.089 20 30 CEEDRP C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268869556 804991399 /nfs/dbraw/zinc/99/13/99/804991399.db2.gz ZYESCHROUHNBRV-INIZCTEOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001269129537 805058228 /nfs/dbraw/zinc/05/82/28/805058228.db2.gz MWVSBXKVYPIBHM-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001269981126 805302320 /nfs/dbraw/zinc/30/23/20/805302320.db2.gz JVBADJLXSGIAIF-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270249191 805381797 /nfs/dbraw/zinc/38/17/97/805381797.db2.gz BSILKDPQLFJYOV-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP N#CCCCCNc1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001168433414 807406423 /nfs/dbraw/zinc/40/64/23/807406423.db2.gz BRNACVVQCPMFII-OAHLLOKOSA-N 2 0 272.396 2.325 20 30 CEEDRP Cc1cc(-c2noc([C@@](C)([NH3+])CCCC[NH3+])n2)ccc1C#N ZINC001212337952 808147664 /nfs/dbraw/zinc/14/76/64/808147664.db2.gz JMZUCIPRYWEHHO-INIZCTEOSA-N 2 0 299.378 2.220 20 30 CEEDRP CCCCCCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC001171583812 815192564 /nfs/dbraw/zinc/19/25/64/815192564.db2.gz RAARAYARWBXGAJ-OAHLLOKOSA-N 2 0 256.434 2.345 20 30 CEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034129886 809526386 /nfs/dbraw/zinc/52/63/86/809526386.db2.gz FFZDCNHPZFRJAL-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC001122018000 815377826 /nfs/dbraw/zinc/37/78/26/815377826.db2.gz BKWDYCHJCQMDJK-HNNXBMFYSA-N 2 0 281.444 2.038 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001172291479 815381907 /nfs/dbraw/zinc/38/19/07/815381907.db2.gz ZCVOCYVBFVDIDF-XJKSGUPXSA-N 2 0 257.381 2.031 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001122116108 815385640 /nfs/dbraw/zinc/38/56/40/815385640.db2.gz QBKOILRBMGUFNV-ARFHVFGLSA-N 2 0 295.471 2.417 20 30 CEEDRP CC[NH+](CC)CCC[C@@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001258904879 810655137 /nfs/dbraw/zinc/65/51/37/810655137.db2.gz MEYQKJOWZUISEE-OAHLLOKOSA-N 2 0 280.460 2.074 20 30 CEEDRP C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@@H]1C[NH3+] ZINC001205996102 811306643 /nfs/dbraw/zinc/30/66/43/811306643.db2.gz UTVJUPHZRAOFOR-ZIAGYGMSSA-N 2 0 257.381 2.365 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129444282 812492900 /nfs/dbraw/zinc/49/29/00/812492900.db2.gz QBSJLGDQSFCLAZ-OAHLLOKOSA-N 2 0 283.460 2.003 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@H](CC(C)C)n1ccnc1 ZINC001130006655 812526348 /nfs/dbraw/zinc/52/63/48/812526348.db2.gz OCYCGXHRQGXJMJ-HNNXBMFYSA-N 2 0 292.427 2.142 20 30 CEEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153680 812792229 /nfs/dbraw/zinc/79/22/29/812792229.db2.gz SVUYAUXKAWQHQL-CABCVRRESA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888792 813340969 /nfs/dbraw/zinc/34/09/69/813340969.db2.gz PFNVDQMLQXWJHI-CHWSQXEVSA-N 2 0 286.379 2.007 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477662 813447044 /nfs/dbraw/zinc/44/70/44/813447044.db2.gz VVNXLZGOZNWNJD-KGLIPLIRSA-N 2 0 283.460 2.023 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1C ZINC001071738094 813473701 /nfs/dbraw/zinc/47/37/01/813473701.db2.gz AEPQKQVFZRBFMT-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995824 813583227 /nfs/dbraw/zinc/58/32/27/813583227.db2.gz LNBSWWJQEJFEAC-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246035389 813666880 /nfs/dbraw/zinc/66/68/80/813666880.db2.gz RLDTUCJLMGOLSQ-ZACQAIPSSA-N 2 0 280.456 2.415 20 30 CEEDRP CCCCCCC[C@H](CC)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246216775 813733670 /nfs/dbraw/zinc/73/36/70/813733670.db2.gz IMUQCKAMXUEJPN-LSDHHAIUSA-N 2 0 256.434 2.440 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247519 814222537 /nfs/dbraw/zinc/22/25/37/814222537.db2.gz LLWUWZUYZINGRP-GOEBONIOSA-N 2 0 295.471 2.167 20 30 CEEDRP CC[NH+](CC)C1CCC([NH2+][C@@H](CC(C)C)C(=O)NO)CC1 ZINC001173108434 815582811 /nfs/dbraw/zinc/58/28/11/815582811.db2.gz KNUIXJXWDSUYRS-NRXISQOPSA-N 2 0 299.459 2.149 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108960 816133453 /nfs/dbraw/zinc/13/34/53/816133453.db2.gz XKUBQPUPDBJIKP-JKSUJKDBSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175303888 816170674 /nfs/dbraw/zinc/17/06/74/816170674.db2.gz HWWHLDIADQYCIJ-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176109996 816350743 /nfs/dbraw/zinc/35/07/43/816350743.db2.gz GUSARAFGKMCQKG-UHFFFAOYSA-N 2 0 283.460 2.149 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)c1ccccc1C[NH+](C)C ZINC001176953926 816499668 /nfs/dbraw/zinc/49/96/68/816499668.db2.gz UHXZQJOGOKSRLZ-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP C=CCCC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179463300 816864128 /nfs/dbraw/zinc/86/41/28/816864128.db2.gz BPMOIQFKDYABRO-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)CC[NH+](C)C ZINC001179461613 816864645 /nfs/dbraw/zinc/86/46/45/816864645.db2.gz SJYJVRATKTVMRQ-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516988 816868399 /nfs/dbraw/zinc/86/83/99/816868399.db2.gz KIZQUKHPZOJUCS-HRCADAONSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128323579 365783896 /nfs/dbraw/zinc/78/38/96/365783896.db2.gz MYSRWPYMMKCHLM-HOTGVXAUSA-N 2 0 267.461 2.204 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000066243791 343710058 /nfs/dbraw/zinc/71/00/58/343710058.db2.gz JOHUCJCSXJXOML-INIZCTEOSA-N 2 0 286.423 2.131 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474955 347049157 /nfs/dbraw/zinc/04/91/57/347049157.db2.gz JULGRQHKVHJGKB-BBRMVZONSA-N 2 0 272.396 2.115 20 30 CEEDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602525052 347066006 /nfs/dbraw/zinc/06/60/06/347066006.db2.gz QCEPFMNLCPQKJN-HOTGVXAUSA-N 2 0 293.455 2.407 20 30 CEEDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573254 345265438 /nfs/dbraw/zinc/26/54/38/345265438.db2.gz BEAXJWVHNMXXFF-ZBINZKHDSA-N 2 0 293.798 2.054 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593314277 345465407 /nfs/dbraw/zinc/46/54/07/345465407.db2.gz BOFKHBVYSJWTDX-KSZLIROESA-N 2 0 299.418 2.277 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000593322864 345466626 /nfs/dbraw/zinc/46/66/26/345466626.db2.gz PFPJHJYVMJQFHB-KZNAEPCWSA-N 2 0 299.418 2.419 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000595073181 345739250 /nfs/dbraw/zinc/73/92/50/345739250.db2.gz SXMODRFFERNGTB-FGTMMUONSA-N 2 0 299.418 2.035 20 30 CEEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000595051880 345735374 /nfs/dbraw/zinc/73/53/74/345735374.db2.gz WNIUUKMBGCOEKF-HOTGVXAUSA-N 2 0 291.439 2.159 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000595058177 345736914 /nfs/dbraw/zinc/73/69/14/345736914.db2.gz YWNIXURSPUQTLS-RHSMWYFYSA-N 2 0 271.408 2.421 20 30 CEEDRP C[C@@H]1C[C@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000595891117 345907590 /nfs/dbraw/zinc/90/75/90/345907590.db2.gz ALTMNOVBUFPBQG-JKIFEVAISA-N 2 0 271.408 2.406 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000595895804 345909617 /nfs/dbraw/zinc/90/96/17/345909617.db2.gz VTXDJKKJGMMDFS-ROUUACIJSA-N 2 0 283.419 2.422 20 30 CEEDRP CC[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000596648892 346071376 /nfs/dbraw/zinc/07/13/76/346071376.db2.gz AQZKREQVCADQOW-HOTGVXAUSA-N 2 0 257.381 2.221 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000596651424 346072025 /nfs/dbraw/zinc/07/20/25/346072025.db2.gz PPYTYIOHDBFXLN-BFHYXJOUSA-N 2 0 254.443 2.273 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000596651426 346072211 /nfs/dbraw/zinc/07/22/11/346072211.db2.gz PPYTYIOHDBFXLN-MELADBBJSA-N 2 0 254.443 2.273 20 30 CEEDRP C[N@@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000063120751 362750033 /nfs/dbraw/zinc/75/00/33/362750033.db2.gz OZDPHMSPJFXIRI-UHFFFAOYSA-N 2 0 257.381 2.332 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1C#N ZINC000600709245 346675170 /nfs/dbraw/zinc/67/51/70/346675170.db2.gz HFBRSOILMJTESV-OAHLLOKOSA-N 2 0 257.381 2.344 20 30 CEEDRP C[NH2+]CCOCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000600709882 346675328 /nfs/dbraw/zinc/67/53/28/346675328.db2.gz KMGRMXUBKFIYQE-KRWDZBQOSA-N 2 0 287.407 2.151 20 30 CEEDRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600714715 346676612 /nfs/dbraw/zinc/67/66/12/346676612.db2.gz BYFFJMRTYCYOQX-MRXNPFEDSA-N 2 0 293.455 2.143 20 30 CEEDRP Cc1ccc(CN2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C#N ZINC000600744074 346682895 /nfs/dbraw/zinc/68/28/95/346682895.db2.gz KJROEVYFQUNYJS-CALCHBBNSA-N 2 0 269.392 2.298 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000600768309 346686509 /nfs/dbraw/zinc/68/65/09/346686509.db2.gz HMIWTWKHCKLLQR-WFASDCNBSA-N 2 0 259.353 2.115 20 30 CEEDRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654475 347125609 /nfs/dbraw/zinc/12/56/09/347125609.db2.gz BVONIFKKQIWWBC-JKSUJKDBSA-N 2 0 293.455 2.405 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000404815790 233194512 /nfs/dbraw/zinc/19/45/12/233194512.db2.gz BEBYTCRWHNOTDE-HIFRSBDPSA-N 2 0 261.344 2.304 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623554159 350048919 /nfs/dbraw/zinc/04/89/19/350048919.db2.gz TXTRTWTWCCAEBD-MJBXVCDLSA-N 2 0 252.402 2.040 20 30 CEEDRP C=CC[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](CC=C)C2)C1 ZINC000625701357 350550604 /nfs/dbraw/zinc/55/06/04/350550604.db2.gz JJHQFAJVGCOYNK-HOTGVXAUSA-N 2 0 278.440 2.143 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000580080977 366748318 /nfs/dbraw/zinc/74/83/18/366748318.db2.gz ZBPAQDPDBGGEFC-ZWKOTPCHSA-N 2 0 299.418 2.277 20 30 CEEDRP CC[NH+]1CCN([C@H]2CC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000093133451 364143221 /nfs/dbraw/zinc/14/32/21/364143221.db2.gz XNGMVNGQRXMDNI-INIZCTEOSA-N 2 0 292.471 2.028 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000334672864 364161665 /nfs/dbraw/zinc/16/16/65/364161665.db2.gz YIIYGNVOYDZWJE-NHYWBVRUSA-N 2 0 261.344 2.127 20 30 CEEDRP C[N@H+](CCCNC(=[NH2+])Nc1ccccn1)Cc1ccccc1 ZINC000170908659 367445048 /nfs/dbraw/zinc/44/50/48/367445048.db2.gz SSIGBGNTWVJERU-UHFFFAOYSA-N 2 0 297.406 2.330 20 30 CEEDRP N#Cc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)o1 ZINC000174280620 368005980 /nfs/dbraw/zinc/00/59/80/368005980.db2.gz WODSQNBIWLOQLP-UHFFFAOYSA-N 2 0 296.374 2.300 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000246389562 370955054 /nfs/dbraw/zinc/95/50/54/370955054.db2.gz ASMVCADYTPYNLL-KZNAEPCWSA-N 2 0 299.418 2.008 20 30 CEEDRP C=C(CC)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358505396 371094739 /nfs/dbraw/zinc/09/47/39/371094739.db2.gz HPMDRUIFSRNXFI-CALCHBBNSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCN1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000270413266 372777626 /nfs/dbraw/zinc/77/76/26/372777626.db2.gz CNHLFIRAWPGWHC-CQSZACIVSA-N 2 0 274.408 2.480 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353429893 220077025 /nfs/dbraw/zinc/07/70/25/220077025.db2.gz VDIMEIAZVUVNKF-RHSMWYFYSA-N 2 0 269.392 2.477 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368424586 373240246 /nfs/dbraw/zinc/24/02/46/373240246.db2.gz LWULOTCKXLUOFK-OWCLPIDISA-N 2 0 298.496 2.385 20 30 CEEDRP C=CCCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371421977 373877728 /nfs/dbraw/zinc/87/77/28/373877728.db2.gz CHASTLCMFVWFMY-MRXNPFEDSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCCC[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391521 376687035 /nfs/dbraw/zinc/68/70/35/376687035.db2.gz OJPIEMYPPCZFCS-GJZGRUSLSA-N 2 0 252.402 2.171 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000436289866 377822659 /nfs/dbraw/zinc/82/26/59/377822659.db2.gz IKPZYESMSCNASW-QCODTGAPSA-N 2 0 266.429 2.286 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051957292 394557373 /nfs/dbraw/zinc/55/73/73/394557373.db2.gz MDQVLISTWWPYMI-UHFFFAOYSA-N 2 0 299.418 2.102 20 30 CEEDRP C[C@H](C(=O)N[C@H]1CCc2nc[nH]c2C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000328916684 394556236 /nfs/dbraw/zinc/55/62/36/394556236.db2.gz APEBJQPDALROOJ-XQHKEYJVSA-N 2 0 290.411 2.485 20 30 CEEDRP C[NH+](C)Cc1cc(CNC(=[NH2+])NC(C)(C)C)ccc1F ZINC000267407255 394677655 /nfs/dbraw/zinc/67/76/55/394677655.db2.gz HFNMTKBUJFENDS-UHFFFAOYSA-N 2 0 280.391 2.090 20 30 CEEDRP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[NH2+]1 ZINC000423375783 394907261 /nfs/dbraw/zinc/90/72/61/394907261.db2.gz IUUXQSCNQRCMLH-XFJVYGCCSA-N 2 0 255.365 2.276 20 30 CEEDRP C[NH+](C)[C@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000372988671 395051124 /nfs/dbraw/zinc/05/11/24/395051124.db2.gz FPPYGQTYQKKPSP-ZDUSSCGKSA-N 2 0 255.431 2.049 20 30 CEEDRP C#Cc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1 ZINC000289320621 395074875 /nfs/dbraw/zinc/07/48/75/395074875.db2.gz SYYPNKYTHDBILO-UHFFFAOYSA-N 2 0 286.419 2.258 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346859475 395110514 /nfs/dbraw/zinc/11/05/14/395110514.db2.gz SDVYOSFTACMICH-USXIJHARSA-N 2 0 272.392 2.421 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442861206 395396113 /nfs/dbraw/zinc/39/61/13/395396113.db2.gz DBBVLZNZJTXRRO-LSDHHAIUSA-N 2 0 267.461 2.203 20 30 CEEDRP Cc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccc1C#N ZINC000443983152 395408597 /nfs/dbraw/zinc/40/85/97/395408597.db2.gz RBRFPQBBFFRCGZ-UHFFFAOYSA-N 2 0 287.407 2.069 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000651753436 401383763 /nfs/dbraw/zinc/38/37/63/401383763.db2.gz QSSBVZHRJVSKBT-CVEARBPZSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658206101 415256265 /nfs/dbraw/zinc/25/62/65/415256265.db2.gz MIMJZKAYRCDYLR-RBSFLKMASA-N 2 0 252.402 2.042 20 30 CEEDRP C=CC[C@@]1(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662422487 415835818 /nfs/dbraw/zinc/83/58/18/415835818.db2.gz PXPIAYYSWJKDMT-WBMJQRKESA-N 2 0 273.380 2.343 20 30 CEEDRP C=CC[C@]1(C(=O)NCC2([NH+](C)C)CCCCC2)CCC[NH2+]1 ZINC000662442309 415847518 /nfs/dbraw/zinc/84/75/18/415847518.db2.gz KIDNKYZUYRMETN-QGZVFWFLSA-N 2 0 293.455 2.065 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187056104 262122485 /nfs/dbraw/zinc/12/24/85/262122485.db2.gz AXRNSJOKMRJOJZ-INIZCTEOSA-N 2 0 288.439 2.211 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364339999 262209696 /nfs/dbraw/zinc/20/96/96/262209696.db2.gz FNIAQTUGVIVSAZ-RRFJBIMHSA-N 2 0 252.402 2.042 20 30 CEEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2ccccn2)CCCCC1 ZINC000263077042 262794347 /nfs/dbraw/zinc/79/43/47/262794347.db2.gz COSDRILMMRUORS-UHFFFAOYSA-N 2 0 275.400 2.073 20 30 CEEDRP CN(C(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000273133311 263013126 /nfs/dbraw/zinc/01/31/26/263013126.db2.gz BCVZZMBUQRIPBT-MRXNPFEDSA-N 2 0 286.423 2.232 20 30 CEEDRP C[NH+]1CCC(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288796631 263106035 /nfs/dbraw/zinc/10/60/35/263106035.db2.gz YKAHBJGBGXPULC-UHFFFAOYSA-N 2 0 296.365 2.423 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000366691516 263132506 /nfs/dbraw/zinc/13/25/06/263132506.db2.gz BSBROURUULZYLB-VQHPVUNQSA-N 2 0 289.423 2.078 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(OC)c1O ZINC000414953222 263159104 /nfs/dbraw/zinc/15/91/04/263159104.db2.gz JIPPHHUWHGAHNY-WFASDCNBSA-N 2 0 290.407 2.217 20 30 CEEDRP C=CC[C@H](CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341885343 263363285 /nfs/dbraw/zinc/36/32/85/263363285.db2.gz WTJMDVCDOFQMQX-ZDUSSCGKSA-N 2 0 254.418 2.024 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330694912 264004658 /nfs/dbraw/zinc/00/46/58/264004658.db2.gz ZFHREVLYLZNXPW-HZPDHXFCSA-N 2 0 293.455 2.284 20 30 CEEDRP C=CCOCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370358678 267311511 /nfs/dbraw/zinc/31/15/11/267311511.db2.gz QVABZSDBIXYXRB-UHFFFAOYSA-N 2 0 252.402 2.186 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000335674749 277026756 /nfs/dbraw/zinc/02/67/56/277026756.db2.gz NWQNEBNTPYDAEI-KRWDZBQOSA-N 2 0 269.392 2.477 20 30 CEEDRP C#CCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378321957 329046056 /nfs/dbraw/zinc/04/60/56/329046056.db2.gz CCTOMFZZXHEDMK-UHFFFAOYSA-N 3 0 291.483 2.138 20 30 CEEDRP CC[C@@]1(C)CCN(C(NCC(C)(C)C[NH+](C)C)=[NH+]C)C1 ZINC000261861374 329987034 /nfs/dbraw/zinc/98/70/34/329987034.db2.gz ZJHILKZVSKKEQB-INIZCTEOSA-N 2 0 282.476 2.272 20 30 CEEDRP CN1CC[NH+]=C1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262673520 330025978 /nfs/dbraw/zinc/02/59/78/330025978.db2.gz SCOZYDHSHDBXFV-TZMCWYRMSA-N 2 0 292.452 2.022 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262794037 330032022 /nfs/dbraw/zinc/03/20/22/330032022.db2.gz LIQLHZCEEXSNPU-OAHLLOKOSA-N 2 0 278.444 2.264 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095647 330169755 /nfs/dbraw/zinc/16/97/55/330169755.db2.gz MUMPYMAWAQGYPD-QPSCCSFWSA-N 2 0 252.402 2.088 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000120145868 330385776 /nfs/dbraw/zinc/38/57/76/330385776.db2.gz GVLGBVIKCDTQKG-QGZVFWFLSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCOc1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000347040592 526900176 /nfs/dbraw/zinc/90/01/76/526900176.db2.gz KRZOVJPKHASBFS-XJKSGUPXSA-N 2 0 260.381 2.421 20 30 CEEDRP C[C@H]1CCC[C@H]([NH+]2CCC(=[NH+]n3cnnc3)CC2)C1 ZINC000733743527 574686192 /nfs/dbraw/zinc/68/61/92/574686192.db2.gz XCULTPXDKDPJGI-JSGCOSHPSA-N 2 0 261.373 2.157 20 30 CEEDRP C[C@@H]1CCC[C@H]([NH+]2CCC(=[NH+]n3cnnc3)CC2)C1 ZINC000733743528 574686237 /nfs/dbraw/zinc/68/62/37/574686237.db2.gz XCULTPXDKDPJGI-OCCSQVGLSA-N 2 0 261.373 2.157 20 30 CEEDRP C#CCCC[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000742382520 575018650 /nfs/dbraw/zinc/01/86/50/575018650.db2.gz BUYFVRJUDKVFJK-UHFFFAOYSA-N 2 0 260.381 2.130 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)nc2C)C1 ZINC000969408497 613349034 /nfs/dbraw/zinc/34/90/34/613349034.db2.gz NYRSLHXOBVALEL-OAHLLOKOSA-N 2 0 287.407 2.387 20 30 CEEDRP C#CCC1([NH2+]CCC[NH2+]C2(CC#C)CCC2)CCC1 ZINC000933298929 623622154 /nfs/dbraw/zinc/62/21/54/623622154.db2.gz LUCRLBBRDNPHKS-UHFFFAOYSA-N 2 0 258.409 2.448 20 30 CEEDRP C#CCC[NH+]1CCN(c2cc[nH+]c3ccc(OC)cc32)CC1 ZINC000892315139 624716967 /nfs/dbraw/zinc/71/69/67/624716967.db2.gz OLMPVZWECXLCGF-UHFFFAOYSA-N 2 0 295.386 2.389 20 30 CEEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000902405161 634640253 /nfs/dbraw/zinc/64/02/53/634640253.db2.gz JAMJOOSYRFIGOD-IRXDYDNUSA-N 2 0 283.419 2.393 20 30 CEEDRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1C#N ZINC000925838081 628935798 /nfs/dbraw/zinc/93/57/98/628935798.db2.gz JTHUSRMBJMHITD-CJNGLKHVSA-N 2 0 257.381 2.344 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000925879467 628979405 /nfs/dbraw/zinc/97/94/05/628979405.db2.gz FIEFHTWXFHXSSD-JKSUJKDBSA-N 2 0 298.434 2.244 20 30 CEEDRP C[C@@H](CC(C)(C)C#N)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000925023110 629369473 /nfs/dbraw/zinc/36/94/73/629369473.db2.gz KWTYLDVWYYHKQE-GJZGRUSLSA-N 2 0 281.444 2.141 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC000987572537 631427805 /nfs/dbraw/zinc/42/78/05/631427805.db2.gz UNUDARIQCQPIEM-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C#C[C@H](NCc1ncc(CN(C)C)s1)C(C)(C)C ZINC000809783035 632146150 /nfs/dbraw/zinc/14/61/50/632146150.db2.gz PPNRIAJCZZFDSP-LBPRGKRZSA-N 2 0 265.426 2.342 20 30 CEEDRP CC(C)[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)N1CC[NH+](C)CC1 ZINC000924634514 632368838 /nfs/dbraw/zinc/36/88/38/632368838.db2.gz YNXHUFFGCDJBED-JKSUJKDBSA-N 2 0 294.487 2.176 20 30 CEEDRP C[N@@H+]1CCC[C@]2(CCN(C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146802 632971819 /nfs/dbraw/zinc/97/18/19/632971819.db2.gz UBORSJGSZLCZML-MSOLQXFVSA-N 2 0 299.418 2.009 20 30 CEEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000817932158 633785358 /nfs/dbraw/zinc/78/53/58/633785358.db2.gz RPHWLUNTYUIJKD-RBSFLKMASA-N 2 0 254.418 2.465 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000817945490 633792104 /nfs/dbraw/zinc/79/21/04/633792104.db2.gz DWGJAEPIXDAVLQ-GJZGRUSLSA-N 2 0 272.392 2.349 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cc1 ZINC000817945491 633792294 /nfs/dbraw/zinc/79/22/94/633792294.db2.gz DWGJAEPIXDAVLQ-HUUCEWRRSA-N 2 0 272.392 2.349 20 30 CEEDRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817955270 633798420 /nfs/dbraw/zinc/79/84/20/633798420.db2.gz UUQKUEOILWAYDA-UONOGXRCSA-N 2 0 273.380 2.239 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(OCC#N)cc1 ZINC000817981573 633824186 /nfs/dbraw/zinc/82/41/86/633824186.db2.gz LHIJLWKEZCRGJF-GZBFAFLISA-N 2 0 273.380 2.367 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000903421402 635123175 /nfs/dbraw/zinc/12/31/75/635123175.db2.gz NVCFPXVNGBAJMJ-CQSZACIVSA-N 2 0 257.381 2.346 20 30 CEEDRP C=CC[C@@H]1CCC[N@@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933795 635359448 /nfs/dbraw/zinc/35/94/48/635359448.db2.gz VNOUTHNHCLNKGH-CVEARBPZSA-N 2 0 290.455 2.134 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC000876708425 650407739 /nfs/dbraw/zinc/40/77/39/650407739.db2.gz PUKJBZLMWBWDMV-STQMWFEESA-N 2 0 289.851 2.083 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000876724886 650410578 /nfs/dbraw/zinc/41/05/78/650410578.db2.gz BKILYWYDOIEVME-ZDUSSCGKSA-N 2 0 281.787 2.157 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000911682032 638354366 /nfs/dbraw/zinc/35/43/66/638354366.db2.gz GJHDRZBAMGGMSA-CYBMUJFWSA-N 2 0 261.369 2.028 20 30 CEEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CC1 ZINC000849025854 642239605 /nfs/dbraw/zinc/23/96/05/642239605.db2.gz FZHHYMNRBVSQSP-HNNXBMFYSA-N 2 0 278.444 2.111 20 30 CEEDRP C=CCC(C)(C)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000849031120 642243776 /nfs/dbraw/zinc/24/37/76/642243776.db2.gz UXFBUOKFQWUBIE-CYBMUJFWSA-N 2 0 266.433 2.187 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999023245 642455865 /nfs/dbraw/zinc/45/58/65/642455865.db2.gz JCLNZTILOPWMAC-UHFFFAOYSA-N 2 0 298.390 2.021 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999403049 642487464 /nfs/dbraw/zinc/48/74/64/642487464.db2.gz ULBFKXUEDHZVIE-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C#Cc1ccc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000850353936 642679025 /nfs/dbraw/zinc/67/90/25/642679025.db2.gz QEXDZLFLHZAHCF-INIZCTEOSA-N 2 0 287.451 2.030 20 30 CEEDRP C#CCOCC[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000851919944 643223982 /nfs/dbraw/zinc/22/39/82/643223982.db2.gz SMBRFRZNGMMQCG-UHFFFAOYSA-N 2 0 280.456 2.470 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923388056 643693028 /nfs/dbraw/zinc/69/30/28/643693028.db2.gz NAWJILFOZRWIGS-HOTGVXAUSA-N 2 0 266.429 2.025 20 30 CEEDRP Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1C#N ZINC000923447953 643715449 /nfs/dbraw/zinc/71/54/49/643715449.db2.gz YFSPWFLKGAXEEI-QGZVFWFLSA-N 2 0 299.418 2.197 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878015326 650974587 /nfs/dbraw/zinc/97/45/87/650974587.db2.gz AIPZRECIRMUJLE-OAHLLOKOSA-N 2 0 266.429 2.385 20 30 CEEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])NC2CCCC2)([NH+](C)C)C1 ZINC000203056279 646460234 /nfs/dbraw/zinc/46/02/34/646460234.db2.gz DLJTYPAOGFCBHV-CJNGLKHVSA-N 2 0 280.460 2.344 20 30 CEEDRP C#CC[C@@H](CCOC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000862548872 646494605 /nfs/dbraw/zinc/49/46/05/646494605.db2.gz PLVSZXXCROEMIW-HNNXBMFYSA-N 2 0 287.407 2.068 20 30 CEEDRP C[N@H+](CC#Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000792222597 648627820 /nfs/dbraw/zinc/62/78/20/648627820.db2.gz WGGXDSTYQQFCRQ-UHFFFAOYSA-N 2 0 256.393 2.312 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000873215973 649593469 /nfs/dbraw/zinc/59/34/69/649593469.db2.gz HPESKKYDWFKTPQ-NVXWUHKLSA-N 2 0 298.434 2.387 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251020 649609339 /nfs/dbraw/zinc/60/93/39/649609339.db2.gz KFUURQPBJPTBHY-IVMMDQJWSA-N 2 0 255.365 2.263 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292536 649629920 /nfs/dbraw/zinc/62/99/20/649629920.db2.gz SXJOMXXPCMJXLL-ZNMIVQPWSA-N 2 0 266.429 2.335 20 30 CEEDRP C=CC[C@H](C(=O)OC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000878329430 651068921 /nfs/dbraw/zinc/06/89/21/651068921.db2.gz ZNQKMVBGEIHIID-OAHLLOKOSA-N 2 0 282.428 2.158 20 30 CEEDRP C#CCCCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000879001143 651226471 /nfs/dbraw/zinc/22/64/71/651226471.db2.gz QTGFGPYCHWDMII-INIZCTEOSA-N 2 0 266.429 2.223 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@@H]1CCCO1 ZINC000883173162 652389057 /nfs/dbraw/zinc/38/90/57/652389057.db2.gz DMAGRUIOSKIPFI-JYJNAYRXSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000883234123 652409530 /nfs/dbraw/zinc/40/95/30/652409530.db2.gz XJPLGKDUMPHYKH-QKPAOTATSA-N 2 0 266.429 2.430 20 30 CEEDRP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001271020578 805718233 /nfs/dbraw/zinc/71/82/33/805718233.db2.gz ACFMZGXMEPZUBX-JKSUJKDBSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563087 806420916 /nfs/dbraw/zinc/42/09/16/806420916.db2.gz CHDIAFPUULCWFF-PMPSAXMXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCC[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167260660 802615506 /nfs/dbraw/zinc/61/55/06/802615506.db2.gz CXLAUWDAHXDMNZ-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266583134 802743328 /nfs/dbraw/zinc/74/33/28/802743328.db2.gz OADDUXFPMLXSCB-JYJNAYRXSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001266895920 802976137 /nfs/dbraw/zinc/97/61/37/802976137.db2.gz UWVMCGPROSAZTA-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001266995634 803044470 /nfs/dbraw/zinc/04/44/70/803044470.db2.gz VRGQBYUTZSEKSU-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[N@@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001267197034 803220437 /nfs/dbraw/zinc/22/04/37/803220437.db2.gz FUVWASZAFJMZIT-UHFFFAOYSA-N 2 0 295.452 2.047 20 30 CEEDRP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001283621964 803523779 /nfs/dbraw/zinc/52/37/79/803523779.db2.gz PPDSSIYHKRGVCO-ZBFHGGJFSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268454992 804699375 /nfs/dbraw/zinc/69/93/75/804699375.db2.gz WQWOBOJMJYQKES-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001268594839 804871216 /nfs/dbraw/zinc/87/12/16/804871216.db2.gz GDWRUQYMPICTHP-KXPUMZMLSA-N 2 0 293.455 2.089 20 30 CEEDRP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268876512 804993530 /nfs/dbraw/zinc/99/35/30/804993530.db2.gz JUSYKYOCOJMKCN-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060957 807325803 /nfs/dbraw/zinc/32/58/03/807325803.db2.gz PNGWVRZYHJYPAS-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034400289 809599993 /nfs/dbraw/zinc/59/99/93/809599993.db2.gz XIAYXQHAJYCQLR-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001015115271 810261305 /nfs/dbraw/zinc/26/13/05/810261305.db2.gz UXIZTTOUPPYHQJ-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792229 810354451 /nfs/dbraw/zinc/35/44/51/810354451.db2.gz TYABUCLSVZAMKV-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]2C1 ZINC001172313055 815366483 /nfs/dbraw/zinc/36/64/83/815366483.db2.gz OHNDIOLUVQOKLZ-JCGIZDLHSA-N 2 0 283.419 2.373 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001016340737 810424935 /nfs/dbraw/zinc/42/49/35/810424935.db2.gz ZKLLRLRFEYCRHY-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001018967524 810668096 /nfs/dbraw/zinc/66/80/96/810668096.db2.gz DZADFZJNJLBIGZ-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001038521417 810854024 /nfs/dbraw/zinc/85/40/24/810854024.db2.gz XJUDPOKDYPGVQZ-INIZCTEOSA-N 2 0 298.390 2.105 20 30 CEEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001172493452 815452977 /nfs/dbraw/zinc/45/29/77/815452977.db2.gz SVIXCXNMVHYAJV-HNNXBMFYSA-N 2 0 286.423 2.500 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001044873652 811548187 /nfs/dbraw/zinc/54/81/87/811548187.db2.gz ZFWXOLNWZSCTAE-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C#Cc1cccc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC001206014708 811615194 /nfs/dbraw/zinc/61/51/94/811615194.db2.gz XYKOIRWGTLNBBR-PBHICJAKSA-N 2 0 256.393 2.475 20 30 CEEDRP C=CC[NH+]1CCC(C)(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001045502080 811619009 /nfs/dbraw/zinc/61/90/09/811619009.db2.gz FGHDSKCFQROPNY-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130808712 812607503 /nfs/dbraw/zinc/60/75/03/812607503.db2.gz OCDPDAKLNKYKHB-UHFFFAOYSA-N 2 0 293.455 2.067 20 30 CEEDRP C=CCC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434094 812850495 /nfs/dbraw/zinc/85/04/95/812850495.db2.gz TYFPXPUXTMEYTR-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441438 812854726 /nfs/dbraw/zinc/85/47/26/812854726.db2.gz OWWHZEJZDTWBKG-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132736957 812935271 /nfs/dbraw/zinc/93/52/71/812935271.db2.gz GUWTZOCJGHFODJ-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888796 813341125 /nfs/dbraw/zinc/34/11/25/813341125.db2.gz PFNVDQMLQXWJHI-QWHCGFSZSA-N 2 0 286.379 2.007 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071652890 813460347 /nfs/dbraw/zinc/46/03/47/813460347.db2.gz QCMMFOLLMOJUET-HIFRSBDPSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C ZINC001071686021 813464895 /nfs/dbraw/zinc/46/48/95/813464895.db2.gz LZGTYQGCARYBSC-UKRRQHHQSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979035 813577646 /nfs/dbraw/zinc/57/76/46/813577646.db2.gz BFTPWIBGTRERDW-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995460 813582165 /nfs/dbraw/zinc/58/21/65/813582165.db2.gz FXOJEXNUTWXYDN-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099353923 814000797 /nfs/dbraw/zinc/00/07/97/814000797.db2.gz IRCVJVPWUKXZIQ-OAHLLOKOSA-N 2 0 295.471 2.119 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001171181091 814068317 /nfs/dbraw/zinc/06/83/17/814068317.db2.gz HBDKNSPARFPHGY-WMLDXEAASA-N 2 0 271.408 2.421 20 30 CEEDRP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001171232612 814202630 /nfs/dbraw/zinc/20/26/30/814202630.db2.gz UNMZZAYNEXIDBA-BMGDILEWSA-N 2 0 283.419 2.373 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001175262712 816164981 /nfs/dbraw/zinc/16/49/81/816164981.db2.gz KIKRMZHDIWEPGV-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001178754661 816791720 /nfs/dbraw/zinc/79/17/20/816791720.db2.gz AYEDYFDQEKRWGL-INIZCTEOSA-N 2 0 297.487 2.415 20 30 CEEDRP COc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000121135796 365525721 /nfs/dbraw/zinc/52/57/21/365525721.db2.gz BKJSYVWWSPNEPP-CZUORRHYSA-N 2 0 287.407 2.481 20 30 CEEDRP C[NH+]=C(NCC[C@@H](C)[N@H+](C)Cc1ccccc1)NC1CC1 ZINC000081777951 344064468 /nfs/dbraw/zinc/06/44/68/344064468.db2.gz HKAPJMLEQLTNST-CQSZACIVSA-N 2 0 288.439 2.224 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000602544477 347071854 /nfs/dbraw/zinc/07/18/54/347071854.db2.gz JVVGUPHIOSLWJW-HNNXBMFYSA-N 2 0 293.455 2.407 20 30 CEEDRP C=CCCOCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423013268 344896447 /nfs/dbraw/zinc/89/64/47/344896447.db2.gz MLPBUIURTOUMSX-LBPRGKRZSA-N 2 0 263.385 2.092 20 30 CEEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000584695685 344976989 /nfs/dbraw/zinc/97/69/89/344976989.db2.gz AVSOBZRJQXVCQQ-UHFFFAOYSA-N 2 0 288.439 2.449 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623087478 349934633 /nfs/dbraw/zinc/93/46/33/349934633.db2.gz TYMGPSHHPXMNBG-JKSUJKDBSA-N 2 0 267.461 2.204 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000595073183 345739378 /nfs/dbraw/zinc/73/93/78/345739378.db2.gz SXMODRFFERNGTB-KZNAEPCWSA-N 2 0 299.418 2.035 20 30 CEEDRP C[C@]1(C#N)CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000595905307 345910665 /nfs/dbraw/zinc/91/06/65/345910665.db2.gz SWVRDDXLUVCMTM-MRXNPFEDSA-N 2 0 255.365 2.068 20 30 CEEDRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(F)cc1C#N ZINC000596359869 346007439 /nfs/dbraw/zinc/00/74/39/346007439.db2.gz GLQLNLYERMYUKP-ZDUSSCGKSA-N 2 0 292.402 2.381 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000596651892 346072300 /nfs/dbraw/zinc/07/23/00/346072300.db2.gz RLUUPQOAVJJDQF-SOUVJXGZSA-N 2 0 284.469 2.042 20 30 CEEDRP CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000598595054 346380558 /nfs/dbraw/zinc/38/05/58/346380558.db2.gz MIMHPUNKCUIUOC-JKSUJKDBSA-N 2 0 293.455 2.095 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000598683295 346400452 /nfs/dbraw/zinc/40/04/52/346400452.db2.gz REDFTAHRMNJEMQ-RCCFBDPRSA-N 2 0 299.418 2.277 20 30 CEEDRP Cc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1C#N ZINC000600704770 346674343 /nfs/dbraw/zinc/67/43/43/346674343.db2.gz PXOXDRQZCTXPCE-ZDUSSCGKSA-N 2 0 257.381 2.426 20 30 CEEDRP N#CCc1cccc2c1CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000600752409 346684296 /nfs/dbraw/zinc/68/42/96/346684296.db2.gz WTZNKOSOGZOARR-CQSZACIVSA-N 2 0 269.392 2.110 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000602705843 347160348 /nfs/dbraw/zinc/16/03/48/347160348.db2.gz MYKIWQLWKQDVPT-OAHLLOKOSA-N 2 0 293.455 2.407 20 30 CEEDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602661938 347129511 /nfs/dbraw/zinc/12/95/11/347129511.db2.gz JIEJZSSDVBOWDD-HNNXBMFYSA-N 2 0 284.407 2.117 20 30 CEEDRP C=CCCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000579964757 366732068 /nfs/dbraw/zinc/73/20/68/366732068.db2.gz SQZVTIHZGVFFAO-UHFFFAOYSA-N 2 0 266.429 2.169 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090106670 364040461 /nfs/dbraw/zinc/04/04/61/364040461.db2.gz HYPURKMMCYWRQX-JKSUJKDBSA-N 2 0 285.391 2.153 20 30 CEEDRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(C)(C)CCC#N)C2)CC1 ZINC000093133450 364142786 /nfs/dbraw/zinc/14/27/86/364142786.db2.gz XNGMVNGQRXMDNI-MRXNPFEDSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000120081113 365369636 /nfs/dbraw/zinc/36/96/36/365369636.db2.gz HZZOMQQVYRVJNO-KRWDZBQOSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346690250 368772936 /nfs/dbraw/zinc/77/29/36/368772936.db2.gz SZPSLVQKCITHEV-HIFRSBDPSA-N 2 0 290.407 2.429 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346690249 368772961 /nfs/dbraw/zinc/77/29/61/368772961.db2.gz SZPSLVQKCITHEV-DZGCQCFKSA-N 2 0 290.407 2.429 20 30 CEEDRP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000348049669 368874282 /nfs/dbraw/zinc/87/42/82/368874282.db2.gz JAKRZIZBIZMBMN-CABCVRRESA-N 2 0 254.418 2.384 20 30 CEEDRP C=C(C)CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000352050922 369663055 /nfs/dbraw/zinc/66/30/55/369663055.db2.gz WOIMPYBQJJJRBX-MRXNPFEDSA-N 2 0 265.445 2.055 20 30 CEEDRP CSC1(C[NH2+]Cc2cccc(C#N)c2)CC[NH+](C)CC1 ZINC000353226110 370083433 /nfs/dbraw/zinc/08/34/33/370083433.db2.gz NADBIMZQIDYZFP-UHFFFAOYSA-N 2 0 289.448 2.475 20 30 CEEDRP C=CCC(C)(C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639206385 371093588 /nfs/dbraw/zinc/09/35/88/371093588.db2.gz HKNCZKFJWKDACL-UHFFFAOYSA-N 2 0 268.445 2.414 20 30 CEEDRP C=C(CC)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358505399 371096751 /nfs/dbraw/zinc/09/67/51/371096751.db2.gz HPMDRUIFSRNXFI-IRXDYDNUSA-N 2 0 279.472 2.443 20 30 CEEDRP CCNC(=[NH2+])NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000264110606 371972999 /nfs/dbraw/zinc/97/29/99/371972999.db2.gz QSCPZBJWLCTILR-UHFFFAOYSA-N 2 0 288.439 2.487 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367614755 373167829 /nfs/dbraw/zinc/16/78/29/373167829.db2.gz IFHVFCXADBWIRJ-ZNMIVQPWSA-N 2 0 252.402 2.042 20 30 CEEDRP Cn1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1C#N ZINC000387385172 375275621 /nfs/dbraw/zinc/27/56/21/375275621.db2.gz ZDUIKYRLGBUYTM-UHFFFAOYSA-N 2 0 262.401 2.107 20 30 CEEDRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(C#N)c3)C2)C1 ZINC000292823533 377298284 /nfs/dbraw/zinc/29/82/84/377298284.db2.gz ABYHSGJILLSTHH-QGZVFWFLSA-N 2 0 269.392 2.476 20 30 CEEDRP Cc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c(C#N)cn1 ZINC000333617872 377804710 /nfs/dbraw/zinc/80/47/10/377804710.db2.gz SXWNUZGWLWGIKF-CQSZACIVSA-N 2 0 270.380 2.088 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CC)CC1 ZINC000436313480 377825347 /nfs/dbraw/zinc/82/53/47/377825347.db2.gz WLNCDQRNFHYBGE-HIFRSBDPSA-N 2 0 252.402 2.042 20 30 CEEDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000442793723 377995851 /nfs/dbraw/zinc/99/58/51/377995851.db2.gz OLKVOHUXCXERTF-XUWVNRHRSA-N 2 0 279.428 2.158 20 30 CEEDRP CC[NH+]1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449223712 378198926 /nfs/dbraw/zinc/19/89/26/378198926.db2.gz YOVITLQYPOUDGO-UHFFFAOYSA-N 2 0 292.471 2.076 20 30 CEEDRP Cc1ccc([C@H](CNC2=[NH+]C[C@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262686658 394624151 /nfs/dbraw/zinc/62/41/51/394624151.db2.gz YODJJKZUEBGVBH-HOCLYGCPSA-N 2 0 286.423 2.069 20 30 CEEDRP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267449781 394679332 /nfs/dbraw/zinc/67/93/32/394679332.db2.gz RCZBZZSMTDHQBK-MRXNPFEDSA-N 2 0 288.439 2.308 20 30 CEEDRP C=CCC[C@H](CCC)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000360253727 394795255 /nfs/dbraw/zinc/79/52/55/394795255.db2.gz TVQUFYFJSQZJRA-AWEZNQCLSA-N 2 0 254.418 2.168 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339013011 394936491 /nfs/dbraw/zinc/93/64/91/394936491.db2.gz ZMHHBHNNMLGAFG-HRCADAONSA-N 2 0 279.428 2.111 20 30 CEEDRP C#CCC[NH+]1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000376213265 395113548 /nfs/dbraw/zinc/11/35/48/395113548.db2.gz QDKUXXCPJJZOOX-UHFFFAOYSA-N 2 0 292.386 2.289 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000346995594 395116023 /nfs/dbraw/zinc/11/60/23/395116023.db2.gz BNHVDBVMUOHXPY-CZUORRHYSA-N 2 0 260.381 2.421 20 30 CEEDRP C=C(C)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000351843781 395237792 /nfs/dbraw/zinc/23/77/92/395237792.db2.gz HTIOCAFZKGCOSJ-IAGOWNOFSA-N 2 0 279.472 2.443 20 30 CEEDRP C=C(CC)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353325403 395294503 /nfs/dbraw/zinc/29/45/03/395294503.db2.gz IXTZXWZXGZVZCT-SJPCQFCGSA-N 2 0 277.456 2.195 20 30 CEEDRP C=CC[C@@]1(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662430919 415840002 /nfs/dbraw/zinc/84/00/02/415840002.db2.gz WQEXCMOXWFRLJO-DYVFJYSZSA-N 2 0 287.407 2.021 20 30 CEEDRP C=CC[C@@]1(C(=O)N[C@H](C)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662658923 415923748 /nfs/dbraw/zinc/92/37/48/415923748.db2.gz MOXJVATZBBYOPW-WBVHZDCISA-N 2 0 295.471 2.311 20 30 CEEDRP N#CCCN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678059 260002389 /nfs/dbraw/zinc/00/23/89/260002389.db2.gz SQPKVSIROKBUMQ-IAGOWNOFSA-N 2 0 269.392 2.354 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000203013700 261357283 /nfs/dbraw/zinc/35/72/83/261357283.db2.gz GHCWRAPDHHVFJK-HIFRSBDPSA-N 2 0 268.449 2.057 20 30 CEEDRP C=CCNC(=[NH2+])NCc1cccc(C[NH+](CC)CC)c1 ZINC000264066461 262862974 /nfs/dbraw/zinc/86/29/74/262862974.db2.gz BNUSXGXGFMFDFD-UHFFFAOYSA-N 2 0 274.412 2.119 20 30 CEEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000273340676 263015842 /nfs/dbraw/zinc/01/58/42/263015842.db2.gz MYJZEBJOXDUIQH-UHFFFAOYSA-N 2 0 274.412 2.047 20 30 CEEDRP CN(CCC#N)c1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000299342429 263240089 /nfs/dbraw/zinc/24/00/89/263240089.db2.gz OJZCNUDUHDKTMI-UHFFFAOYSA-N 2 0 288.439 2.468 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000253157917 264322619 /nfs/dbraw/zinc/32/26/19/264322619.db2.gz QKGMDFKHBJMAPI-RRFJBIMHSA-N 2 0 252.402 2.089 20 30 CEEDRP C=C(C)COCC[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000163589518 264358171 /nfs/dbraw/zinc/35/81/71/264358171.db2.gz OYMBSYWJEGATBT-HUUCEWRRSA-N 2 0 254.418 2.480 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000570790834 314058514 /nfs/dbraw/zinc/05/85/14/314058514.db2.gz YCPYLMVEUJHCRV-UKRRQHHQSA-N 2 0 278.359 2.416 20 30 CEEDRP Cn1ccnc1[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000571445977 328121882 /nfs/dbraw/zinc/12/18/82/328121882.db2.gz FARCEJKNPYEWKJ-INIZCTEOSA-N 2 0 265.360 2.261 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1cc(F)ccc1F ZINC000262331780 328149209 /nfs/dbraw/zinc/14/92/09/328149209.db2.gz YFUAFMLGNKRSAI-JTQLQIEISA-N 2 0 294.349 2.176 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH2+]C)cc1OC ZINC000414841450 328233820 /nfs/dbraw/zinc/23/38/20/328233820.db2.gz OIRZYTDDWOXLMU-CYBMUJFWSA-N 2 0 278.396 2.205 20 30 CEEDRP C=CCSCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422944624 330162025 /nfs/dbraw/zinc/16/20/25/330162025.db2.gz LQNMWOMTSWQWIE-HIFRSBDPSA-N 2 0 264.438 2.454 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000423095885 330169837 /nfs/dbraw/zinc/16/98/37/330169837.db2.gz NJOQFXPOYIWXSI-KBXIAJHMSA-N 2 0 252.402 2.075 20 30 CEEDRP C=CCC1(C[NH2+][C@H](CCC[NH3+])COC)CCCC1 ZINC000423160682 330173765 /nfs/dbraw/zinc/17/37/65/330173765.db2.gz MPALZWFODYMMJQ-CQSZACIVSA-N 2 0 254.418 2.466 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423374756 330198786 /nfs/dbraw/zinc/19/87/86/330198786.db2.gz IJDYHSJVHMPXKZ-MRXNPFEDSA-N 2 0 293.455 2.051 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000424374037 330348330 /nfs/dbraw/zinc/34/83/30/330348330.db2.gz IOQOXJQOEVVFCR-VIQHNZTISA-N 2 0 278.440 2.478 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291207 331166669 /nfs/dbraw/zinc/16/66/69/331166669.db2.gz WKSXYUQYFAQLTF-HNNXBMFYSA-N 2 0 288.439 2.211 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000491452095 332213877 /nfs/dbraw/zinc/21/38/77/332213877.db2.gz JIVURXDTZZCDDY-ZDUSSCGKSA-N 2 0 250.411 2.224 20 30 CEEDRP C=CCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249500642 334335038 /nfs/dbraw/zinc/33/50/38/334335038.db2.gz XDDSTPRCZSPVGE-LSDHHAIUSA-N 2 0 254.418 2.289 20 30 CEEDRP CC#CCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352706340 526305728 /nfs/dbraw/zinc/30/57/28/526305728.db2.gz WHDSHHWNRZCTGE-UHFFFAOYSA-N 2 0 299.462 2.149 20 30 CEEDRP C=C(C)COCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000344323737 526653997 /nfs/dbraw/zinc/65/39/97/526653997.db2.gz JKMBFOUFWBJEBI-UHFFFAOYSA-N 2 0 286.379 2.258 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729976739 574497663 /nfs/dbraw/zinc/49/76/63/574497663.db2.gz FKIPKVKSMWKLNG-UHFFFAOYSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001024436231 625554231 /nfs/dbraw/zinc/55/42/31/625554231.db2.gz AJFARSRIEDJJTI-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468607 625568894 /nfs/dbraw/zinc/56/88/94/625568894.db2.gz LMNJCHSHHYUWND-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1ccc(C#N)cc1 ZINC000926680023 625705178 /nfs/dbraw/zinc/70/51/78/625705178.db2.gz JPYQIZHLYBMFNX-SJPCQFCGSA-N 2 0 269.392 2.031 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C1 ZINC000157397467 624976012 /nfs/dbraw/zinc/97/60/12/624976012.db2.gz MWBUJTLYBVMZTI-JKSUJKDBSA-N 2 0 294.487 2.401 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000328321160 627876959 /nfs/dbraw/zinc/87/69/59/627876959.db2.gz ZCDNYLSWPGUNAZ-MRXNPFEDSA-N 2 0 296.418 2.478 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1C#N ZINC000902363552 634618958 /nfs/dbraw/zinc/61/89/58/634618958.db2.gz WPUVGFKIEIQUHP-OAHLLOKOSA-N 2 0 287.407 2.435 20 30 CEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000104172188 628680696 /nfs/dbraw/zinc/68/06/96/628680696.db2.gz WFFXYQSVXVGSEJ-KGLIPLIRSA-N 2 0 268.449 2.057 20 30 CEEDRP C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000925770697 628768223 /nfs/dbraw/zinc/76/82/23/628768223.db2.gz KOBYCOTVDNDLME-RRFJBIMHSA-N 2 0 254.418 2.214 20 30 CEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924954049 629290926 /nfs/dbraw/zinc/29/09/26/629290926.db2.gz UDOOCMAGSPMHCR-HZPDHXFCSA-N 2 0 294.487 2.178 20 30 CEEDRP C#C[C@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000894574376 629541156 /nfs/dbraw/zinc/54/11/56/629541156.db2.gz DXULAAYSDRDHLS-INIZCTEOSA-N 2 0 260.356 2.431 20 30 CEEDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](C#N)CCC#N)C2)CC1 ZINC000799177566 630991960 /nfs/dbraw/zinc/99/19/60/630991960.db2.gz UXBZDIJSETZZMR-HNNXBMFYSA-N 2 0 274.412 2.238 20 30 CEEDRP C[NH+](C)CC1(CNC(=[NH2+])NC2CCCCC2)CCCC1 ZINC000305837161 631121443 /nfs/dbraw/zinc/12/14/43/631121443.db2.gz XGOCYNYCEMYEBT-UHFFFAOYSA-N 2 0 280.460 2.345 20 30 CEEDRP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989079805 631722403 /nfs/dbraw/zinc/72/24/03/631722403.db2.gz YAEJGMXWSOSDSF-GXTWGEPZSA-N 2 0 298.390 2.021 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829777 632247310 /nfs/dbraw/zinc/24/73/10/632247310.db2.gz WKJPCGYSRDOLIB-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917395 633775633 /nfs/dbraw/zinc/77/56/33/633775633.db2.gz FMYUHGQHVXYZKE-BBRMVZONSA-N 2 0 273.380 2.067 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000817917397 633776045 /nfs/dbraw/zinc/77/60/45/633776045.db2.gz FMYUHGQHVXYZKE-CZUORRHYSA-N 2 0 273.380 2.067 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817920047 633777731 /nfs/dbraw/zinc/77/77/31/633777731.db2.gz ZNMGPIBJPDEDHQ-HIFRSBDPSA-N 2 0 273.380 2.382 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000817980401 633823609 /nfs/dbraw/zinc/82/36/09/633823609.db2.gz AOZIOTNEARPZLS-LZWOXQAQSA-N 2 0 272.392 2.477 20 30 CEEDRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cc(C#N)ccn1 ZINC000903017378 634926983 /nfs/dbraw/zinc/92/69/83/634926983.db2.gz SGGDVIGTMXQFHA-CYBMUJFWSA-N 2 0 272.396 2.478 20 30 CEEDRP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1CC[NH3+] ZINC000903499412 635153994 /nfs/dbraw/zinc/15/39/94/635153994.db2.gz UAJNAZDJONPYEE-CZUORRHYSA-N 2 0 257.381 2.017 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903810494 635284629 /nfs/dbraw/zinc/28/46/29/635284629.db2.gz CGJLWYICHZRHDD-CABCVRRESA-N 2 0 266.429 2.297 20 30 CEEDRP N#Cc1ccc(C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000903825285 635292628 /nfs/dbraw/zinc/29/26/28/635292628.db2.gz YLQGDGXZPRWUAM-OAHLLOKOSA-N 2 0 269.392 2.347 20 30 CEEDRP C#Cc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)cc1 ZINC000825279577 635605405 /nfs/dbraw/zinc/60/54/05/635605405.db2.gz SGMMEYHHTQSCMT-UHFFFAOYSA-N 2 0 299.462 2.174 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000876924420 650487687 /nfs/dbraw/zinc/48/76/87/650487687.db2.gz RXUMHZVONFZXAE-GOSISDBHSA-N 2 0 293.499 2.432 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000231930704 639885868 /nfs/dbraw/zinc/88/58/68/639885868.db2.gz KDORVWFEDHHYRK-MJBXVCDLSA-N 2 0 254.443 2.416 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000105458726 640633615 /nfs/dbraw/zinc/63/36/15/640633615.db2.gz VGFQPSRBOYHYTE-AWEZNQCLSA-N 2 0 287.407 2.409 20 30 CEEDRP COc1ccc(O)c(/C=N\C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000846756867 641413607 /nfs/dbraw/zinc/41/36/07/641413607.db2.gz NNBBTSGEBZINAX-XZWZMMNPSA-N 2 0 262.353 2.160 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NCC1([NH+](C)C)CCCCC1 ZINC000848981101 642203287 /nfs/dbraw/zinc/20/32/87/642203287.db2.gz LAZWRFQACUGYDP-UHFFFAOYSA-N 2 0 292.427 2.209 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000848981467 642204528 /nfs/dbraw/zinc/20/45/28/642204528.db2.gz BDUSADSCOIEWSN-OAHLLOKOSA-N 2 0 272.396 2.123 20 30 CEEDRP C=CCNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000848990108 642211100 /nfs/dbraw/zinc/21/11/00/642211100.db2.gz ZHDPCMUPGMOUIY-ZIAGYGMSSA-N 2 0 266.433 2.044 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998899120 642447237 /nfs/dbraw/zinc/44/72/37/642447237.db2.gz AVCXFLCECVSLIS-HWOWSKLDSA-N 2 0 293.455 2.014 20 30 CEEDRP C[N@H+](CCc1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000852740360 643528066 /nfs/dbraw/zinc/52/80/66/643528066.db2.gz CDDFRUYQAFMNCW-UHFFFAOYSA-N 2 0 257.381 2.302 20 30 CEEDRP Cc1c[nH+]ccc1NN=Cc1ccc(OCC[NH+](C)C)cc1 ZINC000863157776 646656981 /nfs/dbraw/zinc/65/69/81/646656981.db2.gz SZSJTINKKSFVME-UHFFFAOYSA-N 2 0 298.390 2.198 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000776257562 647043199 /nfs/dbraw/zinc/04/31/99/647043199.db2.gz MGULXCWVLNGADE-AWEZNQCLSA-N 2 0 285.391 2.329 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000873256711 649612410 /nfs/dbraw/zinc/61/24/10/649612410.db2.gz PEYADDRQZYJOBX-UMVBOHGHSA-N 2 0 258.365 2.087 20 30 CEEDRP C=C(C)[C@@H](CO)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950308 651364100 /nfs/dbraw/zinc/36/41/00/651364100.db2.gz MLFAISUHKDHQOX-OAHLLOKOSA-N 2 0 266.429 2.264 20 30 CEEDRP C[C@@H]1C[N@H+](CCCCC#N)CCN1c1cc[nH+]cc1 ZINC000880260124 651412252 /nfs/dbraw/zinc/41/22/52/651412252.db2.gz BBVQMILEFMKOJD-CQSZACIVSA-N 2 0 258.369 2.286 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000883438305 652470213 /nfs/dbraw/zinc/47/02/13/652470213.db2.gz PZXXZIDLPRZJHU-DZGCQCFKSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000715051415 814926223 /nfs/dbraw/zinc/92/62/23/814926223.db2.gz CDHCQGUXOMFSHU-HBNTYKKESA-N 2 0 250.308 2.410 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271540117 805988156 /nfs/dbraw/zinc/98/81/56/805988156.db2.gz PHUDCOYJNJDQNJ-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001266897164 802976194 /nfs/dbraw/zinc/97/61/94/802976194.db2.gz MBGYJKCENZWYSQ-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001133896236 813172790 /nfs/dbraw/zinc/17/27/90/813172790.db2.gz FRZSRUYOVQXOKI-UHFFFAOYSA-N 2 0 297.487 2.395 20 30 CEEDRP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267233193 803263938 /nfs/dbraw/zinc/26/39/38/803263938.db2.gz RTZXGNKVUHTKCR-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267233192 803264317 /nfs/dbraw/zinc/26/43/17/803264317.db2.gz RTZXGNKVUHTKCR-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001267282255 803327563 /nfs/dbraw/zinc/32/75/63/803327563.db2.gz OZBXWSRTICDJNN-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP N#Cc1ccc(CCC[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205095254 807587382 /nfs/dbraw/zinc/58/73/82/807587382.db2.gz WHUJJHGPXZIYKA-INIZCTEOSA-N 2 0 257.381 2.304 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001168653623 808850156 /nfs/dbraw/zinc/85/01/56/808850156.db2.gz YEHXGUQGNYHYKA-OAHLLOKOSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC001121974642 815373843 /nfs/dbraw/zinc/37/38/43/815373843.db2.gz LKISVZUVAOPRPG-OLZOCXBDSA-N 2 0 295.452 2.151 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001121991743 815374810 /nfs/dbraw/zinc/37/48/10/815374810.db2.gz ZKHYUFCEKDDEIQ-HOTGVXAUSA-N 2 0 295.471 2.298 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001085295720 810715535 /nfs/dbraw/zinc/71/55/35/810715535.db2.gz VWTULWHZVSMZRR-HUUCEWRRSA-N 2 0 293.455 2.064 20 30 CEEDRP CCCCCCCN1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001113687830 812301380 /nfs/dbraw/zinc/30/13/80/812301380.db2.gz OGBBNINCKDQNAJ-UHFFFAOYSA-N 2 0 297.487 2.441 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001130710858 812600183 /nfs/dbraw/zinc/60/01/83/812600183.db2.gz HDXNBLCKYVDDSF-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106961 812788439 /nfs/dbraw/zinc/78/84/39/812788439.db2.gz WPXFYBSZIQVUJF-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498391 812998458 /nfs/dbraw/zinc/99/84/58/812998458.db2.gz HGSYRCJXKVLQFE-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052499513 813002651 /nfs/dbraw/zinc/00/26/51/813002651.db2.gz WRFVHQYBQCJCGZ-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135474548 813438843 /nfs/dbraw/zinc/43/88/43/813438843.db2.gz SRMVQNXJRZNWBD-OAHLLOKOSA-N 2 0 283.460 2.025 20 30 CEEDRP CC(C)[C@@H](C#N)c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170901287 813622823 /nfs/dbraw/zinc/62/28/23/813622823.db2.gz YMAFTLOAOLXVBY-CABCVRRESA-N 2 0 260.385 2.385 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106896 813699644 /nfs/dbraw/zinc/69/96/44/813699644.db2.gz QLDKCPYMIZCTDG-UIDBIOKJSA-N 2 0 266.429 2.478 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C[NH3+])CC1 ZINC001246538273 813943091 /nfs/dbraw/zinc/94/30/91/813943091.db2.gz NDYIHZKGCQAABJ-CYBMUJFWSA-N 2 0 257.381 2.160 20 30 CEEDRP C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001099125678 813989709 /nfs/dbraw/zinc/98/97/09/813989709.db2.gz JGDOAARAIZJLCT-LSDHHAIUSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175107394 816132259 /nfs/dbraw/zinc/13/22/59/816132259.db2.gz NUBHZTMGZAOWPR-HUUCEWRRSA-N 2 0 283.460 2.023 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175262711 816164197 /nfs/dbraw/zinc/16/41/97/816164197.db2.gz KIKRMZHDIWEPGV-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP C[NH+]1CCN(c2ccccc2CN2CCC[C@H](C#N)C2)CC1 ZINC001140970947 816427985 /nfs/dbraw/zinc/42/79/85/816427985.db2.gz AJJHUFCYOSUOMA-MRXNPFEDSA-N 2 0 298.434 2.174 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566193 816442969 /nfs/dbraw/zinc/44/29/69/816442969.db2.gz ZKOCPKWLLLJXLP-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCC[NH+]1CCCC1 ZINC001176885045 816489524 /nfs/dbraw/zinc/48/95/24/816489524.db2.gz ZCEYDPFPPCXHCD-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000066243800 343710031 /nfs/dbraw/zinc/71/00/31/343710031.db2.gz OJFFBBYLEOOQCI-INIZCTEOSA-N 2 0 286.423 2.108 20 30 CEEDRP CNC(=[NH2+])NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000076105958 343880195 /nfs/dbraw/zinc/88/01/95/343880195.db2.gz NRGPCHOUKYARHC-ZIAGYGMSSA-N 2 0 288.439 2.199 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602480743 347053006 /nfs/dbraw/zinc/05/30/06/347053006.db2.gz XUEMZXLIYPKUMI-HZPDHXFCSA-N 2 0 281.444 2.359 20 30 CEEDRP C=C(C)C[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206078 344809868 /nfs/dbraw/zinc/80/98/68/344809868.db2.gz BHTLAZNCBSTGPR-UHFFFAOYSA-N 2 0 252.402 2.138 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000591579336 345265907 /nfs/dbraw/zinc/26/59/07/345265907.db2.gz LZWLQLGNYNKVOL-SWLSCSKDSA-N 2 0 255.365 2.351 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000592471049 345358272 /nfs/dbraw/zinc/35/82/72/345358272.db2.gz VLKSWXBPAZMVCB-YESZJQIVSA-N 2 0 269.392 2.230 20 30 CEEDRP C[C@H]1C[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CC[NH2+]1 ZINC000593324147 345466524 /nfs/dbraw/zinc/46/65/24/345466524.db2.gz YNLRBQSKIRYVJG-QWHCGFSZSA-N 2 0 255.365 2.262 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000593736973 345530471 /nfs/dbraw/zinc/53/04/71/345530471.db2.gz PKIUGQVGLJUBGC-BZSNNMDCSA-N 2 0 299.418 2.277 20 30 CEEDRP C[C@H]([NH3+])c1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594424393 345625127 /nfs/dbraw/zinc/62/51/27/345625127.db2.gz CNILPLSQDVSSQP-SMDDNHRTSA-N 2 0 274.368 2.056 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000595895204 345908441 /nfs/dbraw/zinc/90/84/41/345908441.db2.gz FQMBVVQFJPEGOF-MRXNPFEDSA-N 2 0 257.381 2.162 20 30 CEEDRP CN1CC(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000597204668 346148152 /nfs/dbraw/zinc/14/81/52/346148152.db2.gz CNNMEBXWCAPNET-UHFFFAOYSA-N 2 0 271.408 2.481 20 30 CEEDRP C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000598598794 346381277 /nfs/dbraw/zinc/38/12/77/346381277.db2.gz VWSOIBSXOMHMCJ-ILXRZTDVSA-N 2 0 290.411 2.067 20 30 CEEDRP C[C@@H](CCC#N)C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000602705842 347160205 /nfs/dbraw/zinc/16/02/05/347160205.db2.gz MYKIWQLWKQDVPT-HNNXBMFYSA-N 2 0 293.455 2.407 20 30 CEEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000063917539 362778687 /nfs/dbraw/zinc/77/86/87/362778687.db2.gz XPXQZESMZHNKOH-MRXNPFEDSA-N 2 0 257.381 2.380 20 30 CEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602786940 347197879 /nfs/dbraw/zinc/19/78/79/347197879.db2.gz ZZKCHJJHKPWMIX-HNNXBMFYSA-N 2 0 279.428 2.113 20 30 CEEDRP C[C@@H](CCC#N)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847875 347223329 /nfs/dbraw/zinc/22/33/29/347223329.db2.gz LHSSJXRDIYCTCC-AWEZNQCLSA-N 2 0 258.369 2.286 20 30 CEEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCC(C)CC2)C1 ZINC000129627742 365880836 /nfs/dbraw/zinc/88/08/36/365880836.db2.gz WAVPJYSOWAWSAY-HNNXBMFYSA-N 2 0 280.460 2.011 20 30 CEEDRP C[NH+](C)CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390333 347772465 /nfs/dbraw/zinc/77/24/65/347772465.db2.gz SPLPLMPZNHQMCC-MRXNPFEDSA-N 2 0 257.381 2.477 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NCC[NH+]2CCCC2)c1 ZINC000170907753 367445238 /nfs/dbraw/zinc/44/52/38/367445238.db2.gz NZKLGJKNACFTLV-UHFFFAOYSA-N 2 0 260.385 2.126 20 30 CEEDRP C=CC[C@@]1(C(=O)N2CCC(CC)([NH+](C)C)CC2)CCC[NH2+]1 ZINC000638981382 370886583 /nfs/dbraw/zinc/88/65/83/370886583.db2.gz RYBFBUJARYOWSW-KRWDZBQOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000345320432 368234009 /nfs/dbraw/zinc/23/40/09/368234009.db2.gz PWOQPGDSDACBGZ-INIZCTEOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCOCCC[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000348051762 368875112 /nfs/dbraw/zinc/87/51/12/368875112.db2.gz MYZLIRNLTVDJNU-OAHLLOKOSA-N 2 0 254.418 2.243 20 30 CEEDRP C=CCOCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348061491 368881136 /nfs/dbraw/zinc/88/11/36/368881136.db2.gz YVMMUMGAWGOZAN-MRXNPFEDSA-N 2 0 266.429 2.243 20 30 CEEDRP Cn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1C#N ZINC000190728724 369648563 /nfs/dbraw/zinc/64/85/63/369648563.db2.gz YNHPSBWJSGPRKE-UHFFFAOYSA-N 2 0 282.391 2.248 20 30 CEEDRP Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1C#N ZINC000191406231 369709743 /nfs/dbraw/zinc/70/97/43/369709743.db2.gz WFGYJGYTYYLDKY-UHFFFAOYSA-N 2 0 288.439 2.451 20 30 CEEDRP C=C(CC)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000358618909 371140962 /nfs/dbraw/zinc/14/09/62/371140962.db2.gz XZWUFVJDNZLMMN-SOUVJXGZSA-N 2 0 252.402 2.136 20 30 CEEDRP C=CCCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361520678 371894499 /nfs/dbraw/zinc/89/44/99/371894499.db2.gz VPIBZQDDWAWFGQ-UHFFFAOYSA-N 2 0 261.369 2.178 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264075135 371962490 /nfs/dbraw/zinc/96/24/90/371962490.db2.gz HABKFQSKKVKGHB-INIZCTEOSA-N 2 0 286.423 2.386 20 30 CEEDRP CC[N@H+](C)Cc1cccc(CNC(=[NH2+])NCC(C)C)c1 ZINC000264073514 371963224 /nfs/dbraw/zinc/96/32/24/371963224.db2.gz DUZGUNRBQQNDHT-UHFFFAOYSA-N 2 0 276.428 2.199 20 30 CEEDRP C#CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000269845710 372577662 /nfs/dbraw/zinc/57/76/62/372577662.db2.gz FUGUSYRTSCKTGY-KRWDZBQOSA-N 2 0 256.393 2.464 20 30 CEEDRP C#CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374782294 374629914 /nfs/dbraw/zinc/62/99/14/374629914.db2.gz PGETVRVLKUKLQX-UHFFFAOYSA-N 2 0 257.381 2.253 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786755 375969458 /nfs/dbraw/zinc/96/94/58/375969458.db2.gz UUKYRQUBRRQXBR-DLBZAZTESA-N 2 0 299.418 2.388 20 30 CEEDRP C=C(C)CC[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974804 376751963 /nfs/dbraw/zinc/75/19/63/376751963.db2.gz FBYMQSZXVKZUGR-UHFFFAOYSA-N 2 0 279.472 2.445 20 30 CEEDRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C#N)cn2)C1 ZINC000562383726 376882395 /nfs/dbraw/zinc/88/23/95/376882395.db2.gz WJQVRGYZEPNQKP-OAHLLOKOSA-N 2 0 272.396 2.117 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1 ZINC000264939011 190145882 /nfs/dbraw/zinc/14/58/82/190145882.db2.gz FLTBRFUHRHGFFO-CQSZACIVSA-N 2 0 260.381 2.128 20 30 CEEDRP C=C(C)CN1CCC([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000436245248 377822077 /nfs/dbraw/zinc/82/20/77/377822077.db2.gz UAWDCNNCNZWLQN-UHFFFAOYSA-N 2 0 275.396 2.220 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000436289863 377822623 /nfs/dbraw/zinc/82/26/23/377822623.db2.gz IKPZYESMSCNASW-GCSSGZNBSA-N 2 0 266.429 2.286 20 30 CEEDRP C=CCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441270108 377934391 /nfs/dbraw/zinc/93/43/91/377934391.db2.gz NTKQJVTYIAHXNG-QLFBSQMISA-N 2 0 252.402 2.136 20 30 CEEDRP C(#CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)C[NH+]1C[C@@H]2CCC[C@@H]2C1 ZINC000472604392 380074422 /nfs/dbraw/zinc/07/44/22/380074422.db2.gz PIFNMSQREDLXFB-USTZCAOPSA-N 2 0 272.436 2.454 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1cccc(C#N)c1 ZINC000350320439 219009053 /nfs/dbraw/zinc/00/90/53/219009053.db2.gz QTRDSHUXABIRNC-UHFFFAOYSA-N 2 0 275.396 2.006 20 30 CEEDRP CN(C)C(=[NH+]Cc1ccc(C[NH+]2CCCC2)cc1)N(C)C ZINC000262400970 394617137 /nfs/dbraw/zinc/61/71/37/394617137.db2.gz ZTAJZFYEFZMOLR-UHFFFAOYSA-N 2 0 288.439 2.262 20 30 CEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000268954871 394703971 /nfs/dbraw/zinc/70/39/71/394703971.db2.gz FZPIXEQDQSGVDD-MSOLQXFVSA-N 2 0 299.418 2.026 20 30 CEEDRP C=CCOCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083189 394941458 /nfs/dbraw/zinc/94/14/58/394941458.db2.gz DHMXXLBWRGTQJR-HUUCEWRRSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CCOCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083190 394942097 /nfs/dbraw/zinc/94/20/97/394942097.db2.gz DHMXXLBWRGTQJR-LSDHHAIUSA-N 2 0 266.429 2.432 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000289895312 395089867 /nfs/dbraw/zinc/08/98/67/395089867.db2.gz SUXIASWCZQZOFT-BRSBDYLESA-N 2 0 286.419 2.034 20 30 CEEDRP C#CCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000372375546 395040511 /nfs/dbraw/zinc/04/05/11/395040511.db2.gz VYJOCWCRMZMIEX-HOTGVXAUSA-N 2 0 278.440 2.221 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000367598305 156212384 /nfs/dbraw/zinc/21/23/84/156212384.db2.gz DPENOAXGEZZTSN-SQNIBIBYSA-N 2 0 299.418 2.399 20 30 CEEDRP C=CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)CCCC1 ZINC000661850691 415498999 /nfs/dbraw/zinc/49/89/99/415498999.db2.gz MVCCBIRJURBOCO-CQSZACIVSA-N 2 0 254.418 2.166 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000665263251 415657227 /nfs/dbraw/zinc/65/72/27/415657227.db2.gz JGMRAKITSZAMIC-ARFHVFGLSA-N 2 0 266.429 2.480 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000130544350 260397553 /nfs/dbraw/zinc/39/75/53/260397553.db2.gz OVSAYMBIYIQPKE-HOTGVXAUSA-N 2 0 267.461 2.203 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423409192 330196887 /nfs/dbraw/zinc/19/68/87/330196887.db2.gz BJGSWVXHDNJWCB-GJZGRUSLSA-N 2 0 254.418 2.480 20 30 CEEDRP C=C(C)C[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000112358677 329542129 /nfs/dbraw/zinc/54/21/29/329542129.db2.gz TYYGUBKVGHDYTM-UHFFFAOYSA-N 2 0 265.445 2.055 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262811241 330033166 /nfs/dbraw/zinc/03/31/66/330033166.db2.gz OFGHUDNDKWYIGZ-AWEZNQCLSA-N 2 0 280.460 2.486 20 30 CEEDRP C=C[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987831 330163057 /nfs/dbraw/zinc/16/30/57/330163057.db2.gz HLLYVCDDOFRMHJ-JGGQBBKZSA-N 2 0 258.365 2.406 20 30 CEEDRP N#CCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423033957 330166225 /nfs/dbraw/zinc/16/62/25/330166225.db2.gz PGRLFRDWYGGGLT-GOEBONIOSA-N 2 0 271.364 2.136 20 30 CEEDRP C=CC[C@@H](CC)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423094471 330169373 /nfs/dbraw/zinc/16/93/73/330169373.db2.gz BYHMVHXMMFIZGR-UONOGXRCSA-N 2 0 282.428 2.252 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1 ZINC000423100756 330170143 /nfs/dbraw/zinc/17/01/43/330170143.db2.gz HISOPRPPDOHWJV-RRQGHBQHSA-N 2 0 290.407 2.093 20 30 CEEDRP COCC1(C[NH2+]C2CCC(C)(C#N)CC2)CC[NH2+]CC1 ZINC000423412899 330197292 /nfs/dbraw/zinc/19/72/92/330197292.db2.gz XNOVXRDGCHOPGE-UHFFFAOYSA-N 2 0 279.428 2.065 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000424374036 330348275 /nfs/dbraw/zinc/34/82/75/330348275.db2.gz IOQOXJQOEVVFCR-UTSKFRMZSA-N 2 0 278.440 2.478 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000424389301 330349950 /nfs/dbraw/zinc/34/99/50/330349950.db2.gz ZZZPIIWQXJDBQC-GVRJEKJASA-N 2 0 264.413 2.088 20 30 CEEDRP C=C(CC)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000536891869 330363495 /nfs/dbraw/zinc/36/34/95/330363495.db2.gz ZSBNBBSUVDMMAW-INIZCTEOSA-N 2 0 265.445 2.053 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(CC#N)CC2)CC1 ZINC000548849725 334176344 /nfs/dbraw/zinc/17/63/44/334176344.db2.gz OPZRZNITQQVVRM-UHFFFAOYSA-N 2 0 292.471 2.028 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000113320903 527105167 /nfs/dbraw/zinc/10/51/67/527105167.db2.gz NGZLBJVKLIBSQO-INIZCTEOSA-N 2 0 284.403 2.273 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000113323913 527105377 /nfs/dbraw/zinc/10/53/77/527105377.db2.gz AKFFJVLHJGVEQH-INIZCTEOSA-N 2 0 272.392 2.130 20 30 CEEDRP C=CCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352718657 527320781 /nfs/dbraw/zinc/32/07/81/527320781.db2.gz ZRDLHIAQTOKAJH-UHFFFAOYSA-N 2 0 287.451 2.312 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728711929 574468777 /nfs/dbraw/zinc/46/87/77/574468777.db2.gz RBCVMOBDQFMYPE-GDBMZVCRSA-N 2 0 287.407 2.409 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000948040445 613271259 /nfs/dbraw/zinc/27/12/59/613271259.db2.gz QAAIGQJSXDNOLY-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000971944515 613291196 /nfs/dbraw/zinc/29/11/96/613291196.db2.gz WGIGMDSNOKHYPE-INIZCTEOSA-N 2 0 298.390 2.057 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000261695355 623429335 /nfs/dbraw/zinc/42/93/35/623429335.db2.gz BUKOWGVKUKOAEZ-QWHCGFSZSA-N 2 0 268.449 2.200 20 30 CEEDRP C#CCC1([NH2+]CC#CC[NH2+]C2(CC#C)CCC2)CCC1 ZINC000933294696 623613179 /nfs/dbraw/zinc/61/31/79/623613179.db2.gz LOLWNULQYSOQGL-UHFFFAOYSA-N 2 0 268.404 2.061 20 30 CEEDRP CC[NH+]1CCN(CCCC[NH2+]CC#Cc2ccccc2)CC1 ZINC000892563457 627273613 /nfs/dbraw/zinc/27/36/13/627273613.db2.gz RPHHBESIYYOWDF-UHFFFAOYSA-N 2 0 299.462 2.045 20 30 CEEDRP C=CCN1CCC([NH2+]CC2CCC(OC)CC2)CC1 ZINC000892881605 627829010 /nfs/dbraw/zinc/82/90/10/627829010.db2.gz ZIXSBYPTSBCEAT-UHFFFAOYSA-N 2 0 266.429 2.432 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925654587 628361297 /nfs/dbraw/zinc/36/12/97/628361297.db2.gz GCXPYWYFQDQCBC-OWYFMNJBSA-N 2 0 278.440 2.334 20 30 CEEDRP CC(C)(CNC(=[NH2+])NC1CCCCC1)[NH+]1CCCCC1 ZINC000104155066 628382892 /nfs/dbraw/zinc/38/28/92/628382892.db2.gz FRNAZTISMDOOHV-UHFFFAOYSA-N 2 0 280.460 2.488 20 30 CEEDRP CCCCCCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925722222 628593273 /nfs/dbraw/zinc/59/32/73/628593273.db2.gz UEULUJLVFIVZKA-BIQWYFBQSA-N 2 0 254.418 2.299 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925728537 628651745 /nfs/dbraw/zinc/65/17/45/628651745.db2.gz DCLVTTZOFJPRAT-NMWPEEMBSA-N 2 0 266.429 2.321 20 30 CEEDRP CC[NH+]=C(NCC1CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261766149 629187173 /nfs/dbraw/zinc/18/71/73/629187173.db2.gz NNWXYWPTXQFSGM-XJKSGUPXSA-N 2 0 292.471 2.214 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897229735 631003553 /nfs/dbraw/zinc/00/35/53/631003553.db2.gz WPAJWTBBKPVWII-QGZVFWFLSA-N 2 0 278.440 2.413 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897229734 631003797 /nfs/dbraw/zinc/00/37/97/631003797.db2.gz WPAJWTBBKPVWII-KRWDZBQOSA-N 2 0 278.440 2.413 20 30 CEEDRP CC[C@H](C)[N@H+](C)CC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303981199 631096536 /nfs/dbraw/zinc/09/65/36/631096536.db2.gz OWPPUXAGMDYXSC-HNNXBMFYSA-N 2 0 290.455 2.424 20 30 CEEDRP C[C@H](CCNC(=[NH2+])N1CCCCCC1)[NH+]1CCCCC1 ZINC000305804336 631120457 /nfs/dbraw/zinc/12/04/57/631120457.db2.gz FWMASCGZSVDMEO-OAHLLOKOSA-N 2 0 280.460 2.442 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000986482383 631244560 /nfs/dbraw/zinc/24/45/60/631244560.db2.gz QDWAEEGVNNTDBB-XJKSGUPXSA-N 2 0 298.390 2.103 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000809735441 632134392 /nfs/dbraw/zinc/13/43/92/632134392.db2.gz GYPAPUSNHVZDCS-KRWDZBQOSA-N 2 0 256.393 2.488 20 30 CEEDRP CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1 ZINC000817916722 633775802 /nfs/dbraw/zinc/77/58/02/633775802.db2.gz AZNXZQCQCKCZFH-DOMZBBRYSA-N 2 0 273.380 2.065 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000903461078 635126198 /nfs/dbraw/zinc/12/61/98/635126198.db2.gz OLMTWPWOQFICQP-UKRRQHHQSA-N 2 0 257.381 2.487 20 30 CEEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000903463872 635128560 /nfs/dbraw/zinc/12/85/60/635128560.db2.gz QKUQECHEFSUWSU-ZBFHGGJFSA-N 2 0 299.418 2.009 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000903448271 635134136 /nfs/dbraw/zinc/13/41/36/635134136.db2.gz BNOLYGRHTUHVCT-KRWDZBQOSA-N 2 0 269.392 2.361 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723919 635237352 /nfs/dbraw/zinc/23/73/52/635237352.db2.gz ZJVLUADLQCPGSH-QZTJIDSGSA-N 2 0 286.419 2.443 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000876538163 650311150 /nfs/dbraw/zinc/31/11/50/650311150.db2.gz MUIXCUHPZKDVLD-CABZTGNLSA-N 2 0 267.760 2.115 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000912504959 638712152 /nfs/dbraw/zinc/71/21/52/638712152.db2.gz BWDCJBGRIMVMEO-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C[NH+](C)CCCCCCCNC(=[NH2+])Nc1ccccn1 ZINC000170911540 639684661 /nfs/dbraw/zinc/68/46/61/639684661.db2.gz CWKFHUBIZCMOTB-UHFFFAOYSA-N 2 0 277.416 2.320 20 30 CEEDRP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000181478914 641556543 /nfs/dbraw/zinc/55/65/43/641556543.db2.gz MSWLUTQUOXCUFY-INIZCTEOSA-N 2 0 292.471 2.440 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000999306659 642478645 /nfs/dbraw/zinc/47/86/45/642478645.db2.gz LAEUFZAJIXNHJD-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001002954590 642876786 /nfs/dbraw/zinc/87/67/86/642876786.db2.gz FGTSQAVWEVAMOR-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000923388058 643692761 /nfs/dbraw/zinc/69/27/61/643692761.db2.gz NAWJILFOZRWIGS-HZPDHXFCSA-N 2 0 266.429 2.025 20 30 CEEDRP C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923494047 643738303 /nfs/dbraw/zinc/73/83/03/643738303.db2.gz KEYVPOZJJFVHGQ-CZUORRHYSA-N 2 0 257.381 2.017 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923507516 643744021 /nfs/dbraw/zinc/74/40/21/643744021.db2.gz QEACHCZPESPONE-RDJZCZTQSA-N 2 0 280.456 2.415 20 30 CEEDRP C#CCOc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000113336314 644356505 /nfs/dbraw/zinc/35/65/05/644356505.db2.gz WPTXPJHTPWBEDZ-UHFFFAOYSA-N 2 0 272.392 2.130 20 30 CEEDRP CC(=NNc1cc[nH+]cc1C)c1ccc2c(c1)CC[NH2+]CC2 ZINC000863157860 646656862 /nfs/dbraw/zinc/65/68/62/646656862.db2.gz ITHMYWAIVZNYGN-UHFFFAOYSA-N 2 0 294.402 2.336 20 30 CEEDRP C=CCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790485135 648422217 /nfs/dbraw/zinc/42/22/17/648422217.db2.gz YSBWCPNTEBPLRA-UHFFFAOYSA-N 2 0 273.424 2.494 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291897 649629622 /nfs/dbraw/zinc/62/96/22/649629622.db2.gz NMOLLNDQNSCSKB-HZPDHXFCSA-N 2 0 278.440 2.480 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000878427490 651094069 /nfs/dbraw/zinc/09/40/69/651094069.db2.gz MINOOKAZXFMZQC-INIZCTEOSA-N 2 0 279.472 2.301 20 30 CEEDRP C[C@@H]1C[N@H+](CCCSCC#N)CCN1c1cc[nH+]cc1 ZINC000880263368 651412533 /nfs/dbraw/zinc/41/25/33/651412533.db2.gz WZCXEVRTHGFIRR-CQSZACIVSA-N 2 0 290.436 2.239 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)[C@H]1CCCO1 ZINC000883224565 652405653 /nfs/dbraw/zinc/40/56/53/652405653.db2.gz OLAVOBIEPPHYPL-QLFBSQMISA-N 2 0 254.418 2.288 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001229655878 806511825 /nfs/dbraw/zinc/51/18/25/806511825.db2.gz RNPNUFUZUIRZQY-MRXNPFEDSA-N 2 0 295.471 2.119 20 30 CEEDRP N#Cc1ccccc1OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168363130 806748704 /nfs/dbraw/zinc/74/87/04/806748704.db2.gz UETLKUASNLCGLI-UHFFFAOYSA-N 2 0 299.418 2.401 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266816748 802918965 /nfs/dbraw/zinc/91/89/65/802918965.db2.gz ITODEXYSJSFLEL-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267094615 803118650 /nfs/dbraw/zinc/11/86/50/803118650.db2.gz VCUPLXRHMZAEHD-CVEARBPZSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267116899 803139957 /nfs/dbraw/zinc/13/99/57/803139957.db2.gz JIQJIYGQRXMYRI-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001135181476 813379464 /nfs/dbraw/zinc/37/94/64/813379464.db2.gz PZEJVXSKUHXREG-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267584044 803569772 /nfs/dbraw/zinc/56/97/72/803569772.db2.gz BGYNFAZUUHFAEG-HZPDHXFCSA-N 2 0 295.471 2.073 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267817389 803752639 /nfs/dbraw/zinc/75/26/39/803752639.db2.gz ZETSJMFKHARKER-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001267964065 803856735 /nfs/dbraw/zinc/85/67/35/803856735.db2.gz ZYBUWABBWFXLKQ-XHSDSOJGSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001268098042 804435811 /nfs/dbraw/zinc/43/58/11/804435811.db2.gz NHSWGFBGCKAGOI-HZPDHXFCSA-N 2 0 295.471 2.119 20 30 CEEDRP C/C(N[C@H]1C[C@H]2C[C@H]2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001167923187 804841645 /nfs/dbraw/zinc/84/16/45/804841645.db2.gz AKCYBLDWGZEKIN-ZSHCYNCHSA-N 2 0 257.381 2.452 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001269402148 805154681 /nfs/dbraw/zinc/15/46/81/805154681.db2.gz JDHPGBROOIVHBO-HOTGVXAUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001269981124 805301499 /nfs/dbraw/zinc/30/14/99/805301499.db2.gz JVBADJLXSGIAIF-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001122297000 807641526 /nfs/dbraw/zinc/64/15/26/807641526.db2.gz WFPSMUOLWPFEPO-LSDHHAIUSA-N 2 0 283.460 2.262 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCCC1 ZINC001115734378 808724762 /nfs/dbraw/zinc/72/47/62/808724762.db2.gz KETVMKOCJUMHLM-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC001205046763 809071874 /nfs/dbraw/zinc/07/18/74/809071874.db2.gz MELHCYIPYLZYRQ-UHFFFAOYSA-N 2 0 263.772 2.382 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001172108210 815298069 /nfs/dbraw/zinc/29/80/69/815298069.db2.gz SEJJAMPKFHZCGT-XYYAHUGASA-N 2 0 292.814 2.456 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034672439 809657715 /nfs/dbraw/zinc/65/77/15/809657715.db2.gz NOLRJMROCBTVSS-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015288084 810275399 /nfs/dbraw/zinc/27/53/99/810275399.db2.gz CFGNCUWAOVJJOT-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172291476 815382243 /nfs/dbraw/zinc/38/22/43/815382243.db2.gz ZCVOCYVBFVDIDF-CJNGLKHVSA-N 2 0 257.381 2.031 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001018967523 810668041 /nfs/dbraw/zinc/66/80/41/810668041.db2.gz DZADFZJNJLBIGZ-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@H](CCCC#N)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172485439 815435612 /nfs/dbraw/zinc/43/56/12/815435612.db2.gz QIJAYBNGWOKSMI-CHWSQXEVSA-N 2 0 298.431 2.248 20 30 CEEDRP C#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169101490 811371928 /nfs/dbraw/zinc/37/19/28/811371928.db2.gz STAXHSRACMBIET-OSYLJGHBSA-N 2 0 254.377 2.383 20 30 CEEDRP CC[NH+](CC)CCN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172491715 815451785 /nfs/dbraw/zinc/45/17/85/815451785.db2.gz GTEZBAHPHHJGPL-MRXNPFEDSA-N 2 0 280.460 2.028 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001044656101 811520726 /nfs/dbraw/zinc/52/07/26/811520726.db2.gz ASLPTCQPKDNYNV-UKRRQHHQSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CCCC[NH+]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001113341472 812223901 /nfs/dbraw/zinc/22/39/01/812223901.db2.gz YNMXGZOBWKXHRG-INIZCTEOSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CC(NC1CC(C)(C)[NH+](C)C(C)(C)C1)=[NH+]COC ZINC001170453912 812500704 /nfs/dbraw/zinc/50/07/04/812500704.db2.gz QBOPLYZFDSUXBI-UHFFFAOYSA-N 2 0 267.417 2.416 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001130622624 812591232 /nfs/dbraw/zinc/59/12/32/812591232.db2.gz RWNHIQJCXLSYCQ-UHFFFAOYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410659 812843132 /nfs/dbraw/zinc/84/31/32/812843132.db2.gz MSPIGGKATYGJLL-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410836 812844099 /nfs/dbraw/zinc/84/40/99/812844099.db2.gz OYIRAWDFQUDQSR-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001052562203 813004767 /nfs/dbraw/zinc/00/47/67/813004767.db2.gz MHZUXURPFFTREK-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995459 813582282 /nfs/dbraw/zinc/58/22/82/813582282.db2.gz FXOJEXNUTWXYDN-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]([NH3+])CCC[NH3+])cc1 ZINC001170907119 813632470 /nfs/dbraw/zinc/63/24/70/813632470.db2.gz ZRUDWKFNIKDCCH-SJORKVTESA-N 3 0 288.439 2.445 20 30 CEEDRP C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001246046931 813667132 /nfs/dbraw/zinc/66/71/32/813667132.db2.gz RKXCOZXIBSNRTN-IKGGRYGDSA-N 2 0 280.456 2.415 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C)([NH3+])CC1 ZINC001171192992 814085473 /nfs/dbraw/zinc/08/54/73/814085473.db2.gz RGWVVLIJTUEKFL-ZDUSSCGKSA-N 2 0 257.381 2.302 20 30 CEEDRP CCCCCCC[C@H](C)[N@H+]1C[C@@H](C(=O)OC)[C@H](N)C1 ZINC001246929545 814430440 /nfs/dbraw/zinc/43/04/40/814430440.db2.gz FVFBUPRWSPLSSZ-BFHYXJOUSA-N 2 0 270.417 2.168 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171358406 814659045 /nfs/dbraw/zinc/65/90/45/814659045.db2.gz GCPRMRCNHYGPHS-HOTGVXAUSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(CCOC)CC2)CC1 ZINC001173319116 815691938 /nfs/dbraw/zinc/69/19/38/815691938.db2.gz YTODTNPXXAFPDF-UHFFFAOYSA-N 2 0 296.455 2.330 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175108959 816133575 /nfs/dbraw/zinc/13/35/75/816133575.db2.gz XKUBQPUPDBJIKP-HZPDHXFCSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCOc1ccc(C[N@H+](C)CC2CN(C)C2)cc1OC ZINC000668538267 539192988 /nfs/dbraw/zinc/19/29/88/539192988.db2.gz YJWTXXBCZOTEFY-UHFFFAOYSA-N 2 0 290.407 2.253 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CC2 ZINC000567724071 299081921 /nfs/dbraw/zinc/08/19/21/299081921.db2.gz YXIBIRFCTUYHGF-MRXNPFEDSA-N 2 0 255.365 2.135 20 30 CEEDRP C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960875 343727980 /nfs/dbraw/zinc/72/79/80/343727980.db2.gz OVBSGLDCGDXORF-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252877003 344642312 /nfs/dbraw/zinc/64/23/12/344642312.db2.gz WLUUGQCIVYFAQZ-JYJNAYRXSA-N 2 0 255.365 2.117 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000602568980 347081622 /nfs/dbraw/zinc/08/16/22/347081622.db2.gz QBUAOLYVPADQBS-DJIMGWMZSA-N 2 0 293.455 2.284 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000593736976 345530007 /nfs/dbraw/zinc/53/00/07/345530007.db2.gz PKIUGQVGLJUBGC-RCCFBDPRSA-N 2 0 299.418 2.277 20 30 CEEDRP C[C@H]1C[C@@H](C[N@@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581062 345650772 /nfs/dbraw/zinc/65/07/72/345650772.db2.gz JDJPCGDHZYTUPX-JSGCOSHPSA-N 2 0 255.365 2.262 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718365 346677974 /nfs/dbraw/zinc/67/79/74/346677974.db2.gz WWQBHTLFFWPUGS-JKSUJKDBSA-N 2 0 293.455 2.285 20 30 CEEDRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771003 346687196 /nfs/dbraw/zinc/68/71/96/346687196.db2.gz FRYDTHAEMKDENS-CABCVRRESA-N 2 0 283.419 2.499 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](C)CCC#N ZINC000602657981 347127811 /nfs/dbraw/zinc/12/78/11/347127811.db2.gz VSWGJRPUIOOLQF-IRXDYDNUSA-N 2 0 294.487 2.274 20 30 CEEDRP CC(C)(C#N)c1ccccc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000610859161 347718445 /nfs/dbraw/zinc/71/84/45/347718445.db2.gz DMSADYDWQTUZSV-HUUCEWRRSA-N 2 0 269.392 2.139 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000404815797 233194116 /nfs/dbraw/zinc/19/41/16/233194116.db2.gz BEBYTCRWHNOTDE-ZFWWWQNUSA-N 2 0 261.344 2.304 20 30 CEEDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000069160334 362956036 /nfs/dbraw/zinc/95/60/36/362956036.db2.gz JKFYIKIOEYODMO-MRXNPFEDSA-N 2 0 257.381 2.380 20 30 CEEDRP COCC#CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694802 539945393 /nfs/dbraw/zinc/94/53/93/539945393.db2.gz FYJVFAYEFDHIKH-HNNXBMFYSA-N 2 0 287.407 2.049 20 30 CEEDRP C#CCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271874952 191382437 /nfs/dbraw/zinc/38/24/37/191382437.db2.gz YYXDXWGPGIXEPP-UHFFFAOYSA-N 2 0 270.376 2.050 20 30 CEEDRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887294 191389178 /nfs/dbraw/zinc/38/91/78/191389178.db2.gz QZPUQQATVWBPEG-ZDUSSCGKSA-N 2 0 255.365 2.471 20 30 CEEDRP N#Cc1csc(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000339499032 366700320 /nfs/dbraw/zinc/70/03/20/366700320.db2.gz XSLXRUJWPIDCFV-UHFFFAOYSA-N 2 0 278.425 2.370 20 30 CEEDRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1C#N ZINC000087833397 363872546 /nfs/dbraw/zinc/87/25/46/363872546.db2.gz WDVAYOVPADHDOR-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000336129629 365451026 /nfs/dbraw/zinc/45/10/26/365451026.db2.gz ZJVPULDPFGOIIL-UHFFFAOYSA-N 2 0 255.365 2.134 20 30 CEEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)Nc1ccccn1 ZINC000170906507 367445157 /nfs/dbraw/zinc/44/51/57/367445157.db2.gz FRYBBAFGGHFCGN-UHFFFAOYSA-N 2 0 275.400 2.074 20 30 CEEDRP C=C(C)C[C@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985732 370888190 /nfs/dbraw/zinc/88/81/90/370888190.db2.gz NDPJVRZKEWKWEF-ZDUSSCGKSA-N 2 0 288.395 2.032 20 30 CEEDRP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000343553171 367880006 /nfs/dbraw/zinc/88/00/06/367880006.db2.gz PJNJOZBLXAWRJC-CZUORRHYSA-N 2 0 257.381 2.173 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346694232 368775913 /nfs/dbraw/zinc/77/59/13/368775913.db2.gz SUHIXZLLOSSJHB-DZGCQCFKSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000346694235 368777254 /nfs/dbraw/zinc/77/72/54/368777254.db2.gz SUHIXZLLOSSJHB-ZFWWWQNUSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000635020881 369058123 /nfs/dbraw/zinc/05/81/23/369058123.db2.gz NEDCWYOIXSUVAF-MGPQQGTHSA-N 2 0 254.418 2.321 20 30 CEEDRP C=CC1CC[NH+](CC(O)C[NH+]2CCC(C=C)CC2)CC1 ZINC000194508677 370044729 /nfs/dbraw/zinc/04/47/29/370044729.db2.gz HBPDMXBDINKXSF-UHFFFAOYSA-N 2 0 278.440 2.143 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017812 371737974 /nfs/dbraw/zinc/73/79/74/371737974.db2.gz RFAAFGRVBHNWFX-CQSZACIVSA-N 2 0 254.418 2.120 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640017811 371738091 /nfs/dbraw/zinc/73/80/91/371738091.db2.gz RFAAFGRVBHNWFX-AWEZNQCLSA-N 2 0 254.418 2.120 20 30 CEEDRP CC[NH+](CC)Cc1ccc(CNC(NC2CC2)=[NH+]C)cc1 ZINC000264059279 371959189 /nfs/dbraw/zinc/95/91/89/371959189.db2.gz OZGRVFDSTGSXKC-UHFFFAOYSA-N 2 0 288.439 2.356 20 30 CEEDRP CC(C)CCNC(=[NH2+])NCc1cccc(C[NH+](C)C)c1 ZINC000264116592 371971618 /nfs/dbraw/zinc/97/16/18/371971618.db2.gz SYCBDBWWMQJCQN-UHFFFAOYSA-N 2 0 276.428 2.199 20 30 CEEDRP [NH2+]=C(NCCC[NH+]1CCCC1)Nc1ccc2c(c1)CCC2 ZINC000264143587 371979243 /nfs/dbraw/zinc/97/92/43/371979243.db2.gz XFLOGEBTZGLGHM-UHFFFAOYSA-N 2 0 286.423 2.388 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1C#N ZINC000397295192 375339764 /nfs/dbraw/zinc/33/97/64/375339764.db2.gz ZIVLOJUVIAXTSG-WWGRRREGSA-N 2 0 287.407 2.372 20 30 CEEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)cc1 ZINC000422977744 376900479 /nfs/dbraw/zinc/90/04/79/376900479.db2.gz XOHCPAKUDHNUMH-YGOACVGDSA-N 2 0 255.365 2.492 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000564827805 377469444 /nfs/dbraw/zinc/46/94/44/377469444.db2.gz IUWJWVDDYSQPHC-UHFFFAOYSA-N 2 0 296.418 2.036 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000446762568 378085512 /nfs/dbraw/zinc/08/55/12/378085512.db2.gz UTQGMRWIOIFXJA-HUUCEWRRSA-N 2 0 267.417 2.017 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000449165644 378198286 /nfs/dbraw/zinc/19/82/86/378198286.db2.gz WUMNLARINMUIJK-CQSZACIVSA-N 2 0 254.418 2.168 20 30 CEEDRP COc1cc(C#N)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000347283680 218178736 /nfs/dbraw/zinc/17/87/36/218178736.db2.gz RTUBMZMTAZKGTB-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267449779 394679249 /nfs/dbraw/zinc/67/92/49/394679249.db2.gz RCZBZZSMTDHQBK-INIZCTEOSA-N 2 0 288.439 2.308 20 30 CEEDRP CC[NH2+][C@H](C)C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423375881 394907384 /nfs/dbraw/zinc/90/73/84/394907384.db2.gz DKMFFAPOQVOXJU-CQSZACIVSA-N 2 0 286.423 2.115 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000152987791 394999762 /nfs/dbraw/zinc/99/97/62/394999762.db2.gz UJXJPQWECWHXIS-BFYDXBDKSA-N 2 0 279.472 2.345 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H](CC[NH+](C)C)OCC)cc1 ZINC000290413544 395102393 /nfs/dbraw/zinc/10/23/93/395102393.db2.gz QGVGBMVAFIXNGP-KRWDZBQOSA-N 2 0 274.408 2.114 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000443968543 395408438 /nfs/dbraw/zinc/40/84/38/395408438.db2.gz FHQDAQVADMZXRX-OAHLLOKOSA-N 2 0 257.381 2.298 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C1 ZINC000651705148 401375271 /nfs/dbraw/zinc/37/52/71/401375271.db2.gz IYPFBVKUSJILEL-GVDBMIGSSA-N 2 0 279.472 2.204 20 30 CEEDRP C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000037748381 173670599 /nfs/dbraw/zinc/67/05/99/173670599.db2.gz YVHBYWAYUIONOL-CYBMUJFWSA-N 2 0 257.381 2.378 20 30 CEEDRP C[N@H+](Cc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746521 174391518 /nfs/dbraw/zinc/39/15/18/174391518.db2.gz NQCTYSTUASDBSL-XYPWUTKMSA-N 2 0 255.365 2.273 20 30 CEEDRP C=CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](C)COC ZINC000662299709 415763053 /nfs/dbraw/zinc/76/30/53/415763053.db2.gz VUEUMGMGMNMBPJ-CQSZACIVSA-N 2 0 274.408 2.355 20 30 CEEDRP C=CC[C@]1(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000662710188 415937576 /nfs/dbraw/zinc/93/75/76/415937576.db2.gz FMWKXPYVLKNUKE-YQQAZPJKSA-N 2 0 293.455 2.064 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000333346367 228197903 /nfs/dbraw/zinc/19/79/03/228197903.db2.gz USDYVKSCSAQTQA-XBVQOTNRSA-N 2 0 291.439 2.036 20 30 CEEDRP CCNC(NCc1cccc(C[NH+]2CCCC2)c1)=[NH+]CC ZINC000066242904 260244987 /nfs/dbraw/zinc/24/49/87/260244987.db2.gz MTSFPOZOVDEUJW-UHFFFAOYSA-N 2 0 288.439 2.357 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000264127182 262876907 /nfs/dbraw/zinc/87/69/07/262876907.db2.gz WUVNUACXRGSARH-AWEZNQCLSA-N 2 0 260.385 2.070 20 30 CEEDRP CC[C@@H](NCCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000422989020 267194907 /nfs/dbraw/zinc/19/49/07/267194907.db2.gz KJKHXBTXBMFJPW-CVEARBPZSA-N 2 0 273.380 2.057 20 30 CEEDRP C[C@H](CCC[NH3+])[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423455983 267818204 /nfs/dbraw/zinc/81/82/04/267818204.db2.gz NCTCYJQPHKEIIG-CQSZACIVSA-N 2 0 286.423 2.244 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)ccc1C#N ZINC000576010005 314233674 /nfs/dbraw/zinc/23/36/74/314233674.db2.gz BYKUAJBVXAJQNC-JKSUJKDBSA-N 2 0 285.391 2.045 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531867918 328052588 /nfs/dbraw/zinc/05/25/88/328052588.db2.gz XRRIRVPCVXDJBG-MRXNPFEDSA-N 2 0 268.445 2.366 20 30 CEEDRP C#Cc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000290229180 328530244 /nfs/dbraw/zinc/53/02/44/328530244.db2.gz FTIDHNYKJJCDGK-UHFFFAOYSA-N 2 0 256.393 2.489 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000171566001 329077551 /nfs/dbraw/zinc/07/75/51/329077551.db2.gz LHHMVVBPSJEBPA-ZNMIVQPWSA-N 2 0 293.455 2.014 20 30 CEEDRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185777308 329331539 /nfs/dbraw/zinc/33/15/39/329331539.db2.gz FPCIZMCQNYFEIM-DLBZAZTESA-N 2 0 292.471 2.076 20 30 CEEDRP C=CC[NH+]1CCC(N[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000422860712 330157928 /nfs/dbraw/zinc/15/79/28/330157928.db2.gz MTGIENDYWYLTTG-QAPCUYQASA-N 2 0 287.451 2.185 20 30 CEEDRP N#C[C@@H]1CCC[C@H]1[NH2+]C/C=C/C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459480890 331284121 /nfs/dbraw/zinc/28/41/21/331284121.db2.gz PTLPQFLTETVCLK-ZIJPVPLASA-N 2 0 272.396 2.106 20 30 CEEDRP C#C[C@@H](CC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000491769061 332336246 /nfs/dbraw/zinc/33/62/46/332336246.db2.gz LJYGGVGDJXOTDP-AWEZNQCLSA-N 2 0 254.337 2.077 20 30 CEEDRP C#CCOc1ccccc1C[NH2+]CCCC[NH+](C)C ZINC000045598399 518332388 /nfs/dbraw/zinc/33/23/88/518332388.db2.gz IOLFMHNPHSNCJX-UHFFFAOYSA-N 2 0 260.381 2.130 20 30 CEEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C=[NH+]n1cnnc1 ZINC000747624417 575172736 /nfs/dbraw/zinc/17/27/36/575172736.db2.gz MXKXCVJIPRLPSS-UHFFFAOYSA-N 2 0 271.368 2.270 20 30 CEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971873601 613286987 /nfs/dbraw/zinc/28/69/87/613286987.db2.gz XOANWFNYQUPHSM-OAHLLOKOSA-N 2 0 298.390 2.057 20 30 CEEDRP [NH2+]=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1)CCC2 ZINC000261992785 624155090 /nfs/dbraw/zinc/15/50/90/624155090.db2.gz MSODXUDJJUOFQX-UHFFFAOYSA-N 2 0 295.390 2.409 20 30 CEEDRP C[NH+](C)CCOC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000892004535 624243751 /nfs/dbraw/zinc/24/37/51/624243751.db2.gz RQNPFGOQKNBNIX-UHFFFAOYSA-N 2 0 293.436 2.162 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925728539 628651485 /nfs/dbraw/zinc/65/14/85/628651485.db2.gz DCLVTTZOFJPRAT-ZJIFFRHRSA-N 2 0 266.429 2.321 20 30 CEEDRP CSc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1C#N ZINC000925773335 628783903 /nfs/dbraw/zinc/78/39/03/628783903.db2.gz MPMGKSSJNPPXGT-YPMHNXCESA-N 2 0 275.421 2.368 20 30 CEEDRP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1C#N ZINC000925836831 628934370 /nfs/dbraw/zinc/93/43/70/628934370.db2.gz DMGRLGOIBMFMBC-UKRRQHHQSA-N 2 0 257.381 2.344 20 30 CEEDRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000925838079 628935877 /nfs/dbraw/zinc/93/58/77/628935877.db2.gz JTHUSRMBJMHITD-BBRMVZONSA-N 2 0 257.381 2.344 20 30 CEEDRP C#CCC[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000795083988 629431959 /nfs/dbraw/zinc/43/19/59/629431959.db2.gz BFYISMVLUMXOPW-UHFFFAOYSA-N 2 0 281.359 2.086 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895292227 630083086 /nfs/dbraw/zinc/08/30/86/630083086.db2.gz NPLDUARTCUNZAP-KBPBESRZSA-N 2 0 267.417 2.015 20 30 CEEDRP CCC[NH+](CCC)CCCNC(=[NH2+])N[C@@H](C)CC ZINC000303408326 631084505 /nfs/dbraw/zinc/08/45/05/631084505.db2.gz TZZIIPDGGYVBTJ-ZDUSSCGKSA-N 2 0 256.438 2.201 20 30 CEEDRP CN(C(=[NH2+])NCCCCC[NH+]1CCCCC1)C1CC1 ZINC000305826947 631120443 /nfs/dbraw/zinc/12/04/43/631120443.db2.gz RHWZHFBXHOFSTH-UHFFFAOYSA-N 2 0 266.433 2.052 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(NC2CCC2)=[NH+]CC)CC1 ZINC000262808617 631232453 /nfs/dbraw/zinc/23/24/53/631232453.db2.gz UHKJJJRYQFJLTL-UHFFFAOYSA-N 2 0 278.444 2.135 20 30 CEEDRP C#CCO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000812233843 632496011 /nfs/dbraw/zinc/49/60/11/632496011.db2.gz YCOAEUAIZVMXLJ-UHFFFAOYSA-N 2 0 285.391 2.201 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)cc1 ZINC000817954726 633799033 /nfs/dbraw/zinc/79/90/33/633799033.db2.gz HXQAJOQYWGHGSD-HUUCEWRRSA-N 2 0 272.392 2.349 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000817969066 633812273 /nfs/dbraw/zinc/81/22/73/633812273.db2.gz QPTMBQCAVYKUBH-GOEBONIOSA-N 2 0 272.392 2.491 20 30 CEEDRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000819376262 634161905 /nfs/dbraw/zinc/16/19/05/634161905.db2.gz XXFWBGAZRAXUPK-OFLPRAFFSA-N 2 0 287.407 2.054 20 30 CEEDRP C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903218549 635020435 /nfs/dbraw/zinc/02/04/35/635020435.db2.gz DFJOVIXZENCBJI-XLQNHZQQSA-N 2 0 264.413 2.061 20 30 CEEDRP N#CC1CCC(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000903479350 635148053 /nfs/dbraw/zinc/14/80/53/635148053.db2.gz UQQJZUOWXYHKFG-TUUUFIMRSA-N 2 0 289.345 2.385 20 30 CEEDRP C=CC[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769245 635259947 /nfs/dbraw/zinc/25/99/47/635259947.db2.gz AOXZSWUWIJCYSR-HUUCEWRRSA-N 2 0 264.413 2.043 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903963959 635397489 /nfs/dbraw/zinc/39/74/89/635397489.db2.gz BEYNBLSGDUKXHW-HIFRSBDPSA-N 2 0 260.381 2.197 20 30 CEEDRP C=CCc1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc(OC)c1O ZINC000903965166 635399646 /nfs/dbraw/zinc/39/96/46/635399646.db2.gz YSLXVABUBFWJKP-DOMZBBRYSA-N 2 0 290.407 2.074 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1 ZINC000904411401 635619463 /nfs/dbraw/zinc/61/94/63/635619463.db2.gz VBDOCYPYOVVILM-HNNXBMFYSA-N 2 0 260.381 2.422 20 30 CEEDRP C#C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(C)C ZINC000825878398 635725516 /nfs/dbraw/zinc/72/55/16/635725516.db2.gz MNZBEUOWDJUACX-HNNXBMFYSA-N 2 0 254.337 2.015 20 30 CEEDRP C#CC1CC[NH+](CC(C)C[NH+]2CCC(C#C)CC2)CC1 ZINC000830343186 637042037 /nfs/dbraw/zinc/04/20/37/637042037.db2.gz OHLFZXNAWYSYJG-UHFFFAOYSA-N 2 0 272.436 2.313 20 30 CEEDRP C#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000834903818 637982430 /nfs/dbraw/zinc/98/24/30/637982430.db2.gz STAXHSRACMBIET-ALOPSCKCSA-N 2 0 254.377 2.383 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911737622 638386905 /nfs/dbraw/zinc/38/69/05/638386905.db2.gz XEFDGALQZJQPIB-CABCVRRESA-N 2 0 283.460 2.275 20 30 CEEDRP CCC[NH+]=C(NC[C@@H]1CC[N@H+](CCC)C1)NC(C)(C)C ZINC000912509288 638712709 /nfs/dbraw/zinc/71/27/09/638712709.db2.gz AHYZDXCHGYVONR-AWEZNQCLSA-N 2 0 282.476 2.462 20 30 CEEDRP C#CCCCCCC[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000876925636 650488680 /nfs/dbraw/zinc/48/86/80/650488680.db2.gz ADMPBBDQDNMEJU-UHFFFAOYSA-N 2 0 279.472 2.186 20 30 CEEDRP C#C[C@@H]1CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020237 641525239 /nfs/dbraw/zinc/52/52/39/641525239.db2.gz AGTGJCVNSIAALW-RCCFBDPRSA-N 2 0 272.436 2.455 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H](C)C1 ZINC000072891362 641986699 /nfs/dbraw/zinc/98/66/99/641986699.db2.gz PUADIMVLKNUFHG-GJZGRUSLSA-N 2 0 292.471 2.168 20 30 CEEDRP C[C@H]1CC[N@H+](CC[NH+]=C(NCc2ccccc2)N(C)C)C1 ZINC000849004145 642221271 /nfs/dbraw/zinc/22/12/71/642221271.db2.gz BUVSVQDPVMOPNI-HNNXBMFYSA-N 2 0 288.439 2.036 20 30 CEEDRP C[NH+]=C(NCC[N@@H+]1CCCC(C)(C)C1)NCc1ccco1 ZINC000849023173 642236807 /nfs/dbraw/zinc/23/68/07/642236807.db2.gz SOFPMOIUAFWMFN-UHFFFAOYSA-N 2 0 292.427 2.067 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000997367215 642242968 /nfs/dbraw/zinc/24/29/68/642242968.db2.gz XRELCUNSLUHACY-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCCCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000877639798 650829622 /nfs/dbraw/zinc/82/96/22/650829622.db2.gz GAWOCOVWPMQQRX-KRWDZBQOSA-N 2 0 278.440 2.101 20 30 CEEDRP C=CC[N@@H+](Cc1cccs1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301358 643649473 /nfs/dbraw/zinc/64/94/73/643649473.db2.gz FXVXPWQYCPMPRJ-ZDUSSCGKSA-N 2 0 278.421 2.115 20 30 CEEDRP N#Cc1ccc(C2([NH2+]CCC[NH2+]C3CC3)CCOCC2)cc1 ZINC000923404211 643698250 /nfs/dbraw/zinc/69/82/50/643698250.db2.gz VQOCLKONOQCBJA-UHFFFAOYSA-N 2 0 299.418 2.296 20 30 CEEDRP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000878047610 650983300 /nfs/dbraw/zinc/98/33/00/650983300.db2.gz IWNOJCBSWNAXTD-HNNXBMFYSA-N 2 0 282.428 2.156 20 30 CEEDRP C=CCC1([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000859746294 645590262 /nfs/dbraw/zinc/59/02/62/645590262.db2.gz SQYSAMJLPXZKIP-OAHLLOKOSA-N 2 0 266.429 2.312 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000878301976 651059028 /nfs/dbraw/zinc/05/90/28/651059028.db2.gz FEIDNTHFOSGLRE-PMRDEQMMSA-N 2 0 277.456 2.194 20 30 CEEDRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000872223466 649320720 /nfs/dbraw/zinc/32/07/20/649320720.db2.gz SGDMAKXTNSRGPB-MRXNPFEDSA-N 2 0 295.471 2.387 20 30 CEEDRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000873218964 649594854 /nfs/dbraw/zinc/59/48/54/649594854.db2.gz BGLDLDYTGJMHQU-NVXWUHKLSA-N 2 0 298.434 2.068 20 30 CEEDRP C[C@H]1C[C@H](C[N@H+](C)CCc2cccc(C#N)c2)CC[NH2+]1 ZINC000873219019 649595034 /nfs/dbraw/zinc/59/50/34/649595034.db2.gz CRNPNHKVLOSFHH-WMLDXEAASA-N 2 0 271.408 2.421 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000873275667 649621580 /nfs/dbraw/zinc/62/15/80/649621580.db2.gz MXMYRZMZINSDFV-DZOHQFGASA-N 2 0 281.403 2.003 20 30 CEEDRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(C#N)c1 ZINC000873290500 649629108 /nfs/dbraw/zinc/62/91/08/649629108.db2.gz FFDNMVBHFGMIHI-YOEHRIQHSA-N 2 0 299.418 2.368 20 30 CEEDRP C=CCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879597212 651328837 /nfs/dbraw/zinc/32/88/37/651328837.db2.gz YWBZQDYRFMZSDV-UHFFFAOYSA-N 2 0 279.472 2.445 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H](C)C[NH+](C)C)[C@H]1CCCO1 ZINC000883224566 652405517 /nfs/dbraw/zinc/40/55/17/652405517.db2.gz OLAVOBIEPPHYPL-SOUVJXGZSA-N 2 0 254.418 2.288 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029962 805822490 /nfs/dbraw/zinc/82/24/90/805822490.db2.gz LAFMPYSVLJZJHU-JKSUJKDBSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271311663 805911922 /nfs/dbraw/zinc/91/19/22/805911922.db2.gz QBTPMGAOQGTJQP-CVEARBPZSA-N 2 0 295.471 2.025 20 30 CEEDRP C[NH+](C)C1CCC([NH2+]CCOc2ccccc2C#N)CC1 ZINC001168303950 806639139 /nfs/dbraw/zinc/63/91/39/806639139.db2.gz HDSMNVDXGZHMMA-UHFFFAOYSA-N 2 0 287.407 2.399 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167610268 803197634 /nfs/dbraw/zinc/19/76/34/803197634.db2.gz RXTHNAPEJXGMIG-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267482671 803505052 /nfs/dbraw/zinc/50/50/52/803505052.db2.gz URSNYIQAFBQRMY-HOTGVXAUSA-N 2 0 295.471 2.216 20 30 CEEDRP C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267617801 803624136 /nfs/dbraw/zinc/62/41/36/803624136.db2.gz KNMYABRMCOALJH-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001267929451 803827326 /nfs/dbraw/zinc/82/73/26/803827326.db2.gz KZPDQIJAIWXNPC-JYJNAYRXSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001272777410 808654876 /nfs/dbraw/zinc/65/48/76/808654876.db2.gz HSDASRMSIFZCSB-JYJNAYRXSA-N 2 0 295.471 2.023 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)c1sccc1C[NH+](C)C ZINC001128539843 809217677 /nfs/dbraw/zinc/21/76/77/809217677.db2.gz LUPBESWHEADBTM-UHFFFAOYSA-N 2 0 295.452 2.095 20 30 CEEDRP C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2c(C)cc(C)nc2C)CC1 ZINC001034694065 809668584 /nfs/dbraw/zinc/66/85/84/809668584.db2.gz JTTXALMRXHLFLI-WKILWMFISA-N 2 0 299.418 2.271 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001172304581 815362871 /nfs/dbraw/zinc/36/28/71/815362871.db2.gz OFCYRNJVSQUMBG-QGTPRVQTSA-N 2 0 283.419 2.373 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792227 810354882 /nfs/dbraw/zinc/35/48/82/810354882.db2.gz TYABUCLSVZAMKV-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792228 810355691 /nfs/dbraw/zinc/35/56/91/810355691.db2.gz TYABUCLSVZAMKV-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC001121974850 815373812 /nfs/dbraw/zinc/37/38/12/815373812.db2.gz LKISVZUVAOPRPG-STQMWFEESA-N 2 0 295.452 2.151 20 30 CEEDRP C[C@@H](CCCC#N)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172488598 815450846 /nfs/dbraw/zinc/45/08/46/815450846.db2.gz VASDYIGCRIQLEL-IHRRRGAJSA-N 2 0 265.401 2.039 20 30 CEEDRP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172491713 815451669 /nfs/dbraw/zinc/45/16/69/815451669.db2.gz GTEZBAHPHHJGPL-INIZCTEOSA-N 2 0 280.460 2.028 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001044630709 811517026 /nfs/dbraw/zinc/51/70/26/811517026.db2.gz YHFALZOKJZGSCC-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)cnc3c2)C1 ZINC001046315068 811734013 /nfs/dbraw/zinc/73/40/13/811734013.db2.gz RAQLGGOVOMNTLS-QGZVFWFLSA-N 2 0 298.390 2.023 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206037035 812161160 /nfs/dbraw/zinc/16/11/60/812161160.db2.gz SLJULSDRKKIRHK-UKRRQHHQSA-N 2 0 287.407 2.374 20 30 CEEDRP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938031 812476189 /nfs/dbraw/zinc/47/61/89/812476189.db2.gz PKRFUHZPERXDLD-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519071 812874186 /nfs/dbraw/zinc/87/41/86/812874186.db2.gz SEPKCGCKPLLEQH-JKSUJKDBSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378166 812984402 /nfs/dbraw/zinc/98/44/02/812984402.db2.gz SNHRVWOGOMWGLU-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001099315912 813998379 /nfs/dbraw/zinc/99/83/79/813998379.db2.gz JLCUWCMGVPYIEO-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537640 814295338 /nfs/dbraw/zinc/29/53/38/814295338.db2.gz ZCGWSPNYGMOSAR-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C[NH+]1CCC2(C[NH+](C3CCC(CC#N)CC3)C2)CC1 ZINC001173336652 815680224 /nfs/dbraw/zinc/68/02/24/815680224.db2.gz HWUYOZOYKQAUGP-UHFFFAOYSA-N 2 0 261.413 2.486 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175106449 816132014 /nfs/dbraw/zinc/13/20/14/816132014.db2.gz GCPRMRCNHYGPHS-HZPDHXFCSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255811 816163686 /nfs/dbraw/zinc/16/36/86/816163686.db2.gz HIGGFUCUWCIQDF-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001178634479 816775296 /nfs/dbraw/zinc/77/52/96/816775296.db2.gz WNSVGDQPQZIVNN-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H]1C ZINC001179146309 816837092 /nfs/dbraw/zinc/83/70/92/816837092.db2.gz YMOTYIRNBFBXNC-BBRMVZONSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580925 816885410 /nfs/dbraw/zinc/88/54/10/816885410.db2.gz WJQBLYOHERUOKZ-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000128544669 365794209 /nfs/dbraw/zinc/79/42/09/365794209.db2.gz QKQPZKAQZAEKIF-OAHLLOKOSA-N 2 0 254.418 2.120 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602512997 347062960 /nfs/dbraw/zinc/06/29/60/347062960.db2.gz YUEDWBGMWVJYFN-LSDHHAIUSA-N 2 0 291.439 2.159 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252877002 344642409 /nfs/dbraw/zinc/64/24/09/344642409.db2.gz WLUUGQCIVYFAQZ-HRCADAONSA-N 2 0 255.365 2.117 20 30 CEEDRP C[C@@H](C[NH2+][C@@H](C)CC1(C#N)CCOCC1)C[NH+]1CCCC1 ZINC000602518352 347064784 /nfs/dbraw/zinc/06/47/84/347064784.db2.gz QFLFNGZNWIXTLE-HOTGVXAUSA-N 2 0 293.455 2.407 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCC[NH+](C)C ZINC000602524227 347065983 /nfs/dbraw/zinc/06/59/83/347065983.db2.gz LTZQJGTZBIPGGG-CQSZACIVSA-N 2 0 267.417 2.017 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000602544084 347071892 /nfs/dbraw/zinc/07/18/92/347071892.db2.gz JAPUDAJSYVUQMX-CQSZACIVSA-N 2 0 279.428 2.017 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC1CC[NH+](C)CC1 ZINC000602544479 347071966 /nfs/dbraw/zinc/07/19/66/347071966.db2.gz JVVGUPHIOSLWJW-OAHLLOKOSA-N 2 0 293.455 2.407 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1Cl ZINC000591573261 345265405 /nfs/dbraw/zinc/26/54/05/345265405.db2.gz CEOBJZYSGQZART-OCCSQVGLSA-N 2 0 263.772 2.429 20 30 CEEDRP N#CC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCCC1 ZINC000594740521 345683139 /nfs/dbraw/zinc/68/31/39/345683139.db2.gz YQKPAOZWULPXFM-QLFBSQMISA-N 2 0 261.413 2.438 20 30 CEEDRP C[NH+](C)CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(C)(C)C ZINC000598719142 346407104 /nfs/dbraw/zinc/40/71/04/346407104.db2.gz HVNJAWNODGHORG-ZIAGYGMSSA-N 2 0 283.460 2.243 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCCC1 ZINC000602593892 347092411 /nfs/dbraw/zinc/09/24/11/347092411.db2.gz QDJSLFNDWMPVAZ-HNNXBMFYSA-N 2 0 279.428 2.161 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716450 346677150 /nfs/dbraw/zinc/67/71/50/346677150.db2.gz LMJFGIZXGMRSAO-CVEARBPZSA-N 2 0 293.455 2.143 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000602724035 347171828 /nfs/dbraw/zinc/17/18/28/347171828.db2.gz PMHLKAXHOOGKQQ-HOTGVXAUSA-N 2 0 293.455 2.407 20 30 CEEDRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000156390922 188259025 /nfs/dbraw/zinc/25/90/25/188259025.db2.gz NZHYPXCEEFLYBR-INIZCTEOSA-N 2 0 287.407 2.211 20 30 CEEDRP N#CC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000356463706 370721337 /nfs/dbraw/zinc/72/13/37/370721337.db2.gz WIPYGTDQMXFYDI-UHFFFAOYSA-N 2 0 291.439 2.115 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000335019527 364360024 /nfs/dbraw/zinc/36/00/24/364360024.db2.gz PJPAANJSJCQYSX-CJNGLKHVSA-N 2 0 255.365 2.135 20 30 CEEDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124976 365444705 /nfs/dbraw/zinc/44/47/05/365444705.db2.gz QEHLULNQZPYVQQ-KRWDZBQOSA-N 2 0 269.392 2.280 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002438 367128403 /nfs/dbraw/zinc/12/84/03/367128403.db2.gz ZYRGBOTXCFUYGE-CZUORRHYSA-N 2 0 272.396 2.258 20 30 CEEDRP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000343553161 367879883 /nfs/dbraw/zinc/87/98/83/367879883.db2.gz PJNJOZBLXAWRJC-BBRMVZONSA-N 2 0 257.381 2.173 20 30 CEEDRP C=CCCC[N@@H+](CCC)CCN1CC[NH+](CC)CC1 ZINC000344174507 368112314 /nfs/dbraw/zinc/11/23/14/368112314.db2.gz QNHAJECJPVZHRM-UHFFFAOYSA-N 2 0 267.461 2.302 20 30 CEEDRP C[C@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000276344072 193294309 /nfs/dbraw/zinc/29/43/09/193294309.db2.gz URKAAIFZABEQOS-HOTGVXAUSA-N 2 0 294.402 2.481 20 30 CEEDRP N#Cc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000253202355 371503448 /nfs/dbraw/zinc/50/34/48/371503448.db2.gz YTZSJSGDWFHBRR-RYUDHWBXSA-N 2 0 261.394 2.336 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267412944 372072430 /nfs/dbraw/zinc/07/24/30/372072430.db2.gz IRPWSUBILDHKGT-HNNXBMFYSA-N 2 0 288.439 2.354 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367614753 373168014 /nfs/dbraw/zinc/16/80/14/373168014.db2.gz IFHVFCXADBWIRJ-RBSFLKMASA-N 2 0 252.402 2.042 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368424585 373239456 /nfs/dbraw/zinc/23/94/56/373239456.db2.gz LWULOTCKXLUOFK-HRCADAONSA-N 2 0 298.496 2.385 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423099308 376993725 /nfs/dbraw/zinc/99/37/25/376993725.db2.gz LXZNQAIHIHKSBS-HZPDHXFCSA-N 2 0 257.381 2.350 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000264983850 190149326 /nfs/dbraw/zinc/14/93/26/190149326.db2.gz VEIJXYBSTGOTKZ-IAGOWNOFSA-N 2 0 284.403 2.415 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000264983855 190149358 /nfs/dbraw/zinc/14/93/58/190149358.db2.gz VEIJXYBSTGOTKZ-IRXDYDNUSA-N 2 0 284.403 2.415 20 30 CEEDRP C=CC[N@@H+](C[C@@H](O)CN(C)CC)CC1CCCCC1 ZINC000566686342 377765482 /nfs/dbraw/zinc/76/54/82/377765482.db2.gz KFRVMCANUZYYNB-INIZCTEOSA-N 2 0 268.445 2.367 20 30 CEEDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000332399908 394637610 /nfs/dbraw/zinc/63/76/10/394637610.db2.gz VALDELMZLDMRDY-KBXCAEBGSA-N 2 0 298.434 2.115 20 30 CEEDRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[NH2+]1 ZINC000423375774 394906592 /nfs/dbraw/zinc/90/65/92/394906592.db2.gz IUUXQSCNQRCMLH-DIOULYMOSA-N 2 0 255.365 2.276 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000423389727 394911231 /nfs/dbraw/zinc/91/12/31/394911231.db2.gz JOWJADRULFTOJI-PGUXBMHVSA-N 2 0 261.344 2.346 20 30 CEEDRP C=CCOCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338954350 394934618 /nfs/dbraw/zinc/93/46/18/394934618.db2.gz NUEDAZPPZSYJTA-IYBDPMFKSA-N 2 0 296.455 2.010 20 30 CEEDRP COc1ccc(C#N)cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000153635426 395013433 /nfs/dbraw/zinc/01/34/33/395013433.db2.gz BZADXDPEBQABTK-RDJZCZTQSA-N 2 0 299.418 2.483 20 30 CEEDRP C#CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377319793 395137006 /nfs/dbraw/zinc/13/70/06/395137006.db2.gz ZKXGJUZDLIEAIM-MSOLQXFVSA-N 2 0 268.404 2.464 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000651452849 401338895 /nfs/dbraw/zinc/33/88/95/401338895.db2.gz IITNSRFIAAQBPC-CFVMTHIKSA-N 2 0 252.402 2.040 20 30 CEEDRP C=CCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361784 401494376 /nfs/dbraw/zinc/49/43/76/401494376.db2.gz PGKRNSKIXSOFAE-RBSFLKMASA-N 2 0 252.402 2.313 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000661116740 415103661 /nfs/dbraw/zinc/10/36/61/415103661.db2.gz ZRFNGPNJVLDCKP-PMPSAXMXSA-N 2 0 268.445 2.412 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657883493 415113048 /nfs/dbraw/zinc/11/30/48/415113048.db2.gz YHATWBFEMWKSAL-GVDBMIGSSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@]1(C(=O)Nc2ccc(C[NH2+]C)cc2)CCC[NH2+]1 ZINC000662783033 415960525 /nfs/dbraw/zinc/96/05/25/415960525.db2.gz MRAFJPQMTHPBRC-MRXNPFEDSA-N 2 0 273.380 2.043 20 30 CEEDRP CCCNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911736 261450650 /nfs/dbraw/zinc/45/06/50/261450650.db2.gz PAZXCSJLLUNKNF-UHFFFAOYSA-N 2 0 274.412 2.097 20 30 CEEDRP C#CCOc1ccccc1C[NH2+]CCCn1ccnc1 ZINC000020305167 262244875 /nfs/dbraw/zinc/24/48/75/262244875.db2.gz CYNRKDBFTWEURD-UHFFFAOYSA-N 2 0 269.348 2.075 20 30 CEEDRP C=CCOc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414831241 263056322 /nfs/dbraw/zinc/05/63/22/263056322.db2.gz MXHAVTGXYJQQTO-CQSZACIVSA-N 2 0 260.381 2.341 20 30 CEEDRP C[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)C[NH+](C)C ZINC000291796494 263125613 /nfs/dbraw/zinc/12/56/13/263125613.db2.gz WTXLYROHHWHXED-OAHLLOKOSA-N 2 0 288.439 2.324 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443983574 267155357 /nfs/dbraw/zinc/15/53/57/267155357.db2.gz DQCGWUISVQHWMY-QGZVFWFLSA-N 2 0 289.423 2.313 20 30 CEEDRP C=CCCC[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369403901 267240195 /nfs/dbraw/zinc/24/01/95/267240195.db2.gz NQSYVQLNLJDTRD-UHFFFAOYSA-N 2 0 279.472 2.445 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000261570919 327353670 /nfs/dbraw/zinc/35/36/70/327353670.db2.gz PUHGGABHSRXDEO-BZUAXINKSA-N 2 0 266.429 2.480 20 30 CEEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000377543217 329018435 /nfs/dbraw/zinc/01/84/35/329018435.db2.gz QCHHKZWNCBBEGP-SJORKVTESA-N 2 0 254.377 2.384 20 30 CEEDRP CN(CC#CCN(C)Cc1cccnc1)Cc1cccnc1 ZINC000276273605 330112762 /nfs/dbraw/zinc/11/27/62/330112762.db2.gz DFOSZKQVOWTGFK-UHFFFAOYSA-N 2 0 294.402 2.044 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000422911459 330160077 /nfs/dbraw/zinc/16/00/77/330160077.db2.gz SWXNSRBVVMOAMP-NUEKZKHPSA-N 2 0 290.407 2.093 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000423409628 330197061 /nfs/dbraw/zinc/19/70/61/330197061.db2.gz QPGSBQPFPQFXCL-ZIAGYGMSSA-N 2 0 254.418 2.193 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523086 330210053 /nfs/dbraw/zinc/21/00/53/330210053.db2.gz VJTQPDBYSQCAHL-XNIRIUNOSA-N 2 0 279.472 2.393 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000424383808 330349582 /nfs/dbraw/zinc/34/95/82/330349582.db2.gz UKRDIAWQIIXDCS-MWNCTCPHSA-N 2 0 258.365 2.312 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699387 330552491 /nfs/dbraw/zinc/55/24/91/330552491.db2.gz PYRJAQRSSHYPGJ-CVEARBPZSA-N 2 0 291.439 2.255 20 30 CEEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699394 330552661 /nfs/dbraw/zinc/55/26/61/330552661.db2.gz PYRJAQRSSHYPGJ-JKSUJKDBSA-N 2 0 291.439 2.255 20 30 CEEDRP C=C(C)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352722609 526501910 /nfs/dbraw/zinc/50/19/10/526501910.db2.gz AWAKNUVLHIMTLB-UHFFFAOYSA-N 2 0 287.451 2.312 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1OC ZINC000729682552 574490784 /nfs/dbraw/zinc/49/07/84/574490784.db2.gz UOSIPYBWWLPFNE-CQSZACIVSA-N 2 0 276.380 2.054 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902347397 634585459 /nfs/dbraw/zinc/58/54/59/634585459.db2.gz UBNXJVNYJZPWMU-OAHLLOKOSA-N 2 0 265.445 2.005 20 30 CEEDRP CCCCCCCC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000311338518 627641942 /nfs/dbraw/zinc/64/19/42/627641942.db2.gz HDRRKCUWCMMVIS-MRXNPFEDSA-N 2 0 267.461 2.326 20 30 CEEDRP C#CC[NH+](C)CCCN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000328245482 627870939 /nfs/dbraw/zinc/87/09/39/627870939.db2.gz HZWBALYZYNWHOZ-MJGOQNOKSA-N 2 0 299.462 2.194 20 30 CEEDRP CC(C)(CNC(=[NH2+])N1CCCCC1)[NH+]1CCCCC1 ZINC000303776692 629116971 /nfs/dbraw/zinc/11/69/71/629116971.db2.gz HZTKCHRURVXYGX-UHFFFAOYSA-N 2 0 266.433 2.052 20 30 CEEDRP C#CCCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796276723 629828997 /nfs/dbraw/zinc/82/89/97/629828997.db2.gz QCHRPDKBFOOBTA-UHFFFAOYSA-N 2 0 299.462 2.149 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC(C)(C)C ZINC000303906554 631093695 /nfs/dbraw/zinc/09/36/95/631093695.db2.gz WFAFSBSPELZHDM-CYBMUJFWSA-N 2 0 268.449 2.344 20 30 CEEDRP C[C@H](C#N)OCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000801937810 631362100 /nfs/dbraw/zinc/36/21/00/631362100.db2.gz AKGKKTHSYQBTAO-ILXRZTDVSA-N 2 0 279.428 2.158 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420945 635632995 /nfs/dbraw/zinc/63/29/95/635632995.db2.gz JLVORFMCMKJEDQ-JKSUJKDBSA-N 2 0 272.392 2.293 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000897621701 631826502 /nfs/dbraw/zinc/82/65/02/631826502.db2.gz OUGUXWHPRKNRBX-QILLFSRXSA-N 2 0 299.418 2.361 20 30 CEEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCC[C@@H](C)C1 ZINC000086821768 632264019 /nfs/dbraw/zinc/26/40/19/632264019.db2.gz GMZSDGKYMNYIRU-CYBMUJFWSA-N 2 0 268.449 2.072 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000817971807 633815481 /nfs/dbraw/zinc/81/54/81/633815481.db2.gz QEZCZVDALYAUAW-GRDNDAEWSA-N 2 0 272.392 2.347 20 30 CEEDRP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902945187 634897560 /nfs/dbraw/zinc/89/75/60/634897560.db2.gz RIFSYCXYYRGSJF-ZDUSSCGKSA-N 2 0 272.396 2.336 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000911840309 638431657 /nfs/dbraw/zinc/43/16/57/638431657.db2.gz IIPJXSFDSRUCFM-OAHLLOKOSA-N 2 0 281.444 2.099 20 30 CEEDRP C=CCCOCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000231801632 639879210 /nfs/dbraw/zinc/87/92/10/639879210.db2.gz PXRIETILPIZNRX-CABCVRRESA-N 2 0 254.418 2.480 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC000993542347 640655958 /nfs/dbraw/zinc/65/59/58/640655958.db2.gz ZKYYDWUZBIZMIQ-CZUORRHYSA-N 2 0 298.390 2.103 20 30 CEEDRP COc1cccc(/C=N/C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000846756200 641413434 /nfs/dbraw/zinc/41/34/34/641413434.db2.gz HIANDLGWTWXGIF-ZBPJJPRESA-N 2 0 262.353 2.160 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248762850 641531525 /nfs/dbraw/zinc/53/15/25/641531525.db2.gz NEZZEANEGMZOII-HOTGVXAUSA-N 2 0 285.391 2.305 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003423263 642934264 /nfs/dbraw/zinc/93/42/64/642934264.db2.gz CRJCCFZGFSTRFP-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)cc1C#N ZINC000923492652 643736820 /nfs/dbraw/zinc/73/68/20/643736820.db2.gz YLQPTMSXMYUMLJ-HIFRSBDPSA-N 2 0 257.381 2.283 20 30 CEEDRP C#CC[C@H](COC)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000858335533 645123457 /nfs/dbraw/zinc/12/34/57/645123457.db2.gz WVWLWARHRIYVIB-MRXNPFEDSA-N 2 0 278.440 2.411 20 30 CEEDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000872228534 649322546 /nfs/dbraw/zinc/32/25/46/649322546.db2.gz JFNHHWQOOPVJOG-WLYUNCDWSA-N 2 0 262.401 2.282 20 30 CEEDRP C[C@@H]([NH2+]C1CCN(c2ccccc2C#N)CC1)[C@H]1CCC[NH2+]1 ZINC000873238629 649605381 /nfs/dbraw/zinc/60/53/81/649605381.db2.gz CWMNHALTTZBREE-RHSMWYFYSA-N 2 0 298.434 2.257 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1C[C@H]([NH3+])C1 ZINC000873255968 649612278 /nfs/dbraw/zinc/61/22/78/649612278.db2.gz KFUURQPBJPTBHY-XNRPHZJLSA-N 2 0 255.365 2.263 20 30 CEEDRP C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259784 651412295 /nfs/dbraw/zinc/41/22/95/651412295.db2.gz IRKAGUUIHSFWEX-YCPHGPKFSA-N 2 0 270.380 2.284 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000883438307 652470243 /nfs/dbraw/zinc/47/02/43/652470243.db2.gz PZXXZIDLPRZJHU-UKRRQHHQSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271286775 805907320 /nfs/dbraw/zinc/90/73/20/805907320.db2.gz WSFUFUXZZQIYTN-JYJNAYRXSA-N 2 0 295.471 2.023 20 30 CEEDRP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001271901585 806135710 /nfs/dbraw/zinc/13/57/10/806135710.db2.gz OLQMONJZHHAIEH-OAHLLOKOSA-N 2 0 297.487 2.271 20 30 CEEDRP C[NH+](C)C1CCC([N@@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001168319771 806651676 /nfs/dbraw/zinc/65/16/76/806651676.db2.gz XXUCRLBLOWUYOW-RUXDESIVSA-N 2 0 280.437 2.133 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268000356 803901640 /nfs/dbraw/zinc/90/16/40/803901640.db2.gz YRKCHHMOBMYZOO-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027917578 804340597 /nfs/dbraw/zinc/34/05/97/804340597.db2.gz CDGGDGDDQMAPRJ-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001268138771 804481741 /nfs/dbraw/zinc/48/17/41/804481741.db2.gz CSKRJRWLBCUQRP-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268162515 804498384 /nfs/dbraw/zinc/49/83/84/804498384.db2.gz JDYOVNFWNJVPSZ-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001268454989 804699437 /nfs/dbraw/zinc/69/94/37/804699437.db2.gz WQWOBOJMJYQKES-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269355699 805139188 /nfs/dbraw/zinc/13/91/88/805139188.db2.gz IPARWUWPPNKRRT-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269355698 805139320 /nfs/dbraw/zinc/13/93/20/805139320.db2.gz IPARWUWPPNKRRT-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CC[NH2+]C[C@@]1(NC(=O)CC[N@@H+](C)CC)CCCC[C@@H]1C ZINC001269677255 805227562 /nfs/dbraw/zinc/22/75/62/805227562.db2.gz OZFSUHWVMMZGNG-RDJZCZTQSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001270415283 805434086 /nfs/dbraw/zinc/43/40/86/805434086.db2.gz SCBRYFZJONJJES-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887812 809444221 /nfs/dbraw/zinc/44/42/21/809444221.db2.gz PFXLVZPCMALUED-OAHLLOKOSA-N 2 0 298.390 2.057 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(Cl)cn1)C2 ZINC001172108209 815299125 /nfs/dbraw/zinc/29/91/25/815299125.db2.gz SEJJAMPKFHZCGT-CLLJXQQHSA-N 2 0 292.814 2.456 20 30 CEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437884 811612962 /nfs/dbraw/zinc/61/29/62/811612962.db2.gz HGRULIOYIPAIEJ-OAHLLOKOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110014688 811983332 /nfs/dbraw/zinc/98/33/32/811983332.db2.gz DNFWUYLTTWYNRX-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113033107 812149224 /nfs/dbraw/zinc/14/92/24/812149224.db2.gz ZQAVHNDUZDUPFK-HNNXBMFYSA-N 2 0 295.471 2.216 20 30 CEEDRP N#CC1(c2ccccc2)CCC([NH2+]C2CC([NH3+])C2)CC1 ZINC001170365290 812394477 /nfs/dbraw/zinc/39/44/77/812394477.db2.gz UNKCJQLXOXFRFX-UHFFFAOYSA-N 2 0 269.392 2.470 20 30 CEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132435387 812850577 /nfs/dbraw/zinc/85/05/77/812850577.db2.gz CKNXRBWBINOMKO-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CCCC ZINC001170784016 813350608 /nfs/dbraw/zinc/35/06/08/813350608.db2.gz CGYDOAGZEPRQPD-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135768717 813518566 /nfs/dbraw/zinc/51/85/66/813518566.db2.gz SFXKZQSBVRPSEZ-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)CC[C@H]1C ZINC001072080911 813540477 /nfs/dbraw/zinc/54/04/77/813540477.db2.gz DIUPFCVSKQRMEW-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001100901645 814202633 /nfs/dbraw/zinc/20/26/33/814202633.db2.gz GNRFEWQUGAKYAY-QQFBHYJXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613210 814299481 /nfs/dbraw/zinc/29/94/81/814299481.db2.gz SDWVJAIGBRDJST-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP CC[C@H](C)[C@H]([NH2+]C1CCC([NH+](CC)CC)CC1)C(=O)NO ZINC001173108231 815582225 /nfs/dbraw/zinc/58/22/25/815582225.db2.gz GVZUFFPAHSTVEV-PPWQZUPISA-N 2 0 299.459 2.149 20 30 CEEDRP CC(C)[NH+]1CCN(CC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173330077 815677209 /nfs/dbraw/zinc/67/72/09/815677209.db2.gz SAMWPZMNGZBGPJ-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP CN1CCC[C@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336638 815681213 /nfs/dbraw/zinc/68/12/13/815681213.db2.gz HGCNYAZMOSCIMB-GRAKBVBRSA-N 2 0 261.413 2.485 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)CC1 ZINC001202983411 816141463 /nfs/dbraw/zinc/14/14/63/816141463.db2.gz IYMHHVFUQOIOKT-MRXNPFEDSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256773 816163128 /nfs/dbraw/zinc/16/31/28/816163128.db2.gz OJDPQCVBWDWPQC-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971526 816501695 /nfs/dbraw/zinc/50/16/95/816501695.db2.gz BRCSVVVIQBXSNF-UHFFFAOYSA-N 2 0 283.460 2.169 20 30 CEEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000601973620 346947190 /nfs/dbraw/zinc/94/71/90/346947190.db2.gz RSIOIWLCHQQCDZ-OAHLLOKOSA-N 2 0 257.381 2.426 20 30 CEEDRP C=CC[C@H](C)[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128323144 365784582 /nfs/dbraw/zinc/78/45/82/365784582.db2.gz MYSRWPYMMKCHLM-JKSUJKDBSA-N 2 0 267.461 2.204 20 30 CEEDRP CNC(NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)=[NH+]C ZINC000057887175 343640565 /nfs/dbraw/zinc/64/05/65/343640565.db2.gz IVEWYRKMGSJCPG-AWEZNQCLSA-N 2 0 288.439 2.213 20 30 CEEDRP CCCNC(=[NH2+])NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052618 344074527 /nfs/dbraw/zinc/07/45/27/344074527.db2.gz IMUZHLHNCYOTTC-CQSZACIVSA-N 2 0 276.428 2.211 20 30 CEEDRP N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000252847249 344641770 /nfs/dbraw/zinc/64/17/70/344641770.db2.gz FXYZIXCOGHJHRE-JYJNAYRXSA-N 2 0 255.365 2.117 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000404102547 344877502 /nfs/dbraw/zinc/87/75/02/344877502.db2.gz GCZJPXOWMLUWQQ-ZDUSSCGKSA-N 2 0 261.344 2.129 20 30 CEEDRP Cc1cc(CN2CCOC3(CC[NH+](C)CC3)C2)ccc1C#N ZINC000592184462 345335582 /nfs/dbraw/zinc/33/55/82/345335582.db2.gz LNVPMLOUFJZFHO-UHFFFAOYSA-N 2 0 299.418 2.163 20 30 CEEDRP N#Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492194 345360185 /nfs/dbraw/zinc/36/01/85/345360185.db2.gz VOUXQIMSMVBRHM-GJZGRUSLSA-N 2 0 284.407 2.165 20 30 CEEDRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000593318141 345466205 /nfs/dbraw/zinc/46/62/05/345466205.db2.gz AABIHNBEXPVQHX-LLVKDONJSA-N 2 0 261.344 2.477 20 30 CEEDRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000594513163 345641644 /nfs/dbraw/zinc/64/16/44/345641644.db2.gz LQGGAHPVQMWDBU-XBXGTLAGSA-N 2 0 261.344 2.127 20 30 CEEDRP N#Cc1ccc(CC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000595895718 345909492 /nfs/dbraw/zinc/90/94/92/345909492.db2.gz TWTYKLZMSIRLOQ-UHFFFAOYSA-N 2 0 269.392 2.176 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000598679547 346399574 /nfs/dbraw/zinc/39/95/74/346399574.db2.gz JKTHQKJZZQGVAD-QZTJIDSGSA-N 2 0 299.418 2.277 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724129 346408571 /nfs/dbraw/zinc/40/85/71/346408571.db2.gz IPTOIKMCKINVBZ-HZPDHXFCSA-N 2 0 295.471 2.245 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000602606010 347097617 /nfs/dbraw/zinc/09/76/17/347097617.db2.gz NBKQNKBJOJJWTI-OAHLLOKOSA-N 2 0 293.455 2.407 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000602724039 347171614 /nfs/dbraw/zinc/17/16/14/347171614.db2.gz PMHLKAXHOOGKQQ-JKSUJKDBSA-N 2 0 293.455 2.407 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1CC1 ZINC000120168037 186880030 /nfs/dbraw/zinc/88/00/30/186880030.db2.gz XYHRNDRLDIQHCJ-NVXWUHKLSA-N 2 0 279.472 2.347 20 30 CEEDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCSCC#N)C1 ZINC000081516916 363723669 /nfs/dbraw/zinc/72/36/69/363723669.db2.gz NSRMHHPXZAVVJS-CQSZACIVSA-N 2 0 269.458 2.297 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000335672843 212392920 /nfs/dbraw/zinc/39/29/20/212392920.db2.gz XJQCATZCVREDFK-UHFFFAOYSA-N 2 0 255.365 2.134 20 30 CEEDRP C=CCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343715445 367969915 /nfs/dbraw/zinc/96/99/15/367969915.db2.gz ALRWAPFVHCKZKJ-OAHLLOKOSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346688648 368772200 /nfs/dbraw/zinc/77/22/00/368772200.db2.gz YFIIJQDQHVOXLG-KBPBESRZSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000346690733 368772871 /nfs/dbraw/zinc/77/28/71/368772871.db2.gz UQUBAHPXYQPMSJ-UKRRQHHQSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000346652671 368752811 /nfs/dbraw/zinc/75/28/11/368752811.db2.gz HVCKWZVGTMUJOE-DZGCQCFKSA-N 2 0 290.407 2.429 20 30 CEEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000635020880 369057647 /nfs/dbraw/zinc/05/76/47/369057647.db2.gz NEDCWYOIXSUVAF-MELADBBJSA-N 2 0 254.418 2.321 20 30 CEEDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190956803 369663778 /nfs/dbraw/zinc/66/37/78/369663778.db2.gz CIGLYEGQPLLJAJ-AWEZNQCLSA-N 2 0 274.412 2.107 20 30 CEEDRP C=CCCCCC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000193340156 369929656 /nfs/dbraw/zinc/92/96/56/369929656.db2.gz IILKZSOLJYLUCN-QGZVFWFLSA-N 2 0 279.472 2.445 20 30 CEEDRP N#CCC[C@H](C#N)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246824442 371016566 /nfs/dbraw/zinc/01/65/66/371016566.db2.gz NWRFMOJZAQQRIN-HLLBOEOZSA-N 2 0 286.423 2.379 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246912838 371029633 /nfs/dbraw/zinc/02/96/33/371029633.db2.gz RZSZVGMEQCRDBF-BHYGNILZSA-N 2 0 278.440 2.262 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264090604 371967517 /nfs/dbraw/zinc/96/75/17/371967517.db2.gz KVQYHWCLDKHGRS-AWEZNQCLSA-N 2 0 288.439 2.138 20 30 CEEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])Nc2ccccc2)C1 ZINC000264106769 371970920 /nfs/dbraw/zinc/97/09/20/371970920.db2.gz PTCHFRQRISBARK-ZDUSSCGKSA-N 2 0 260.385 2.145 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+]2C)c1 ZINC000264127183 371975738 /nfs/dbraw/zinc/97/57/38/371975738.db2.gz WUVNUACXRGSARH-CQSZACIVSA-N 2 0 260.385 2.070 20 30 CEEDRP COc1ccc(C#N)cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000372989421 374237552 /nfs/dbraw/zinc/23/75/52/374237552.db2.gz JTZDFNSOYWEVRP-MRXNPFEDSA-N 2 0 287.407 2.483 20 30 CEEDRP C=CCCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435690193 377809356 /nfs/dbraw/zinc/80/93/56/377809356.db2.gz BWHYMQDRNIFICA-HNNXBMFYSA-N 2 0 288.439 2.330 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000436299350 377821751 /nfs/dbraw/zinc/82/17/51/377821751.db2.gz JRLXFUOKHMUWQM-JJXSEGSLSA-N 2 0 266.429 2.288 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879887 378013282 /nfs/dbraw/zinc/01/32/82/378013282.db2.gz WQFAAFUSPJNQDK-HNNXBMFYSA-N 2 0 267.461 2.347 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449522910 378215231 /nfs/dbraw/zinc/21/52/31/378215231.db2.gz WAKNROJTZILNIF-KGLIPLIRSA-N 2 0 252.402 2.182 20 30 CEEDRP C[C@@H]([NH2+]C(C)(C)CNC1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000262682157 394623389 /nfs/dbraw/zinc/62/33/89/394623389.db2.gz WRGZDCNEZAHVBR-QWHCGFSZSA-N 2 0 274.412 2.053 20 30 CEEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000104167054 394718494 /nfs/dbraw/zinc/71/84/94/394718494.db2.gz LOXYTNUCPHXOJU-GFCCVEGCSA-N 2 0 278.400 2.152 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339013009 394936531 /nfs/dbraw/zinc/93/65/31/394936531.db2.gz ZMHHBHNNMLGAFG-ARFHVFGLSA-N 2 0 279.428 2.111 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC000290294124 395098635 /nfs/dbraw/zinc/09/86/35/395098635.db2.gz HGPBSYJGDXFDAX-KRWDZBQOSA-N 2 0 299.462 2.031 20 30 CEEDRP C=C(C)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000351731232 395232372 /nfs/dbraw/zinc/23/23/72/395232372.db2.gz UFYXZGUIHVQEJK-SJPCQFCGSA-N 2 0 277.456 2.195 20 30 CEEDRP C=CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000568107493 395549252 /nfs/dbraw/zinc/54/92/52/395549252.db2.gz OTGQUEPLZFIWQQ-ARFHVFGLSA-N 2 0 266.429 2.480 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000651679401 401371022 /nfs/dbraw/zinc/37/10/22/401371022.db2.gz ZNNASVLVQDYZLW-JKSUJKDBSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CCCn1cc(CNCCC[N@H+]2CCCC[C@@H]2C)nn1 ZINC000657293488 414836985 /nfs/dbraw/zinc/83/69/85/414836985.db2.gz OIHFTWBBMIGWEJ-HNNXBMFYSA-N 2 0 291.443 2.208 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657454187 414946231 /nfs/dbraw/zinc/94/62/31/414946231.db2.gz FJZUZYIWZORRAU-YOEHRIQHSA-N 2 0 298.390 2.338 20 30 CEEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662668535 415926505 /nfs/dbraw/zinc/92/65/05/415926505.db2.gz OJJIYZJRMXDSAA-RDJZCZTQSA-N 2 0 293.455 2.065 20 30 CEEDRP C#CC[N@@H+](CCc1cncn1C)Cc1ccccc1 ZINC000297364894 260119813 /nfs/dbraw/zinc/11/98/13/260119813.db2.gz GBRLIFUIQNAKAO-UHFFFAOYSA-N 2 0 253.349 2.098 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000130544556 260398081 /nfs/dbraw/zinc/39/80/81/260398081.db2.gz OVSAYMBIYIQPKE-HZPDHXFCSA-N 2 0 267.461 2.203 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000194686454 262241528 /nfs/dbraw/zinc/24/15/28/262241528.db2.gz OBGJFVYTQKSGCP-AWEZNQCLSA-N 2 0 288.439 2.485 20 30 CEEDRP C[C@H]([NH2+]C(C)(C)CNC1=[NH+]CCN1C)c1ccccc1 ZINC000262680477 262782864 /nfs/dbraw/zinc/78/28/64/262782864.db2.gz VXVSALFFRYNMJY-ZDUSSCGKSA-N 2 0 274.412 2.007 20 30 CEEDRP C[NH+]1CCC(C)(CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000288786313 263106030 /nfs/dbraw/zinc/10/60/30/263106030.db2.gz XALDLFUKAZKXEL-UHFFFAOYSA-N 2 0 296.365 2.423 20 30 CEEDRP CC[NH+](CC)[C@H](C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288772774 263106060 /nfs/dbraw/zinc/10/60/60/263106060.db2.gz VCBXPFMKYITQLP-SNVBAGLBSA-N 2 0 284.354 2.422 20 30 CEEDRP C=CCc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cc(OC)c1O ZINC000414932562 263137418 /nfs/dbraw/zinc/13/74/18/263137418.db2.gz CUMYOXJNGYAZQP-UHFFFAOYSA-N 2 0 290.407 2.361 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000330694914 264004949 /nfs/dbraw/zinc/00/49/49/264004949.db2.gz ZFHREVLYLZNXPW-JKSUJKDBSA-N 2 0 293.455 2.284 20 30 CEEDRP C=CCC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000320661399 264992288 /nfs/dbraw/zinc/99/22/88/264992288.db2.gz QOGQSDPVYLCNKH-RBSFLKMASA-N 2 0 254.418 2.214 20 30 CEEDRP C=CCCC[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000117883089 267224141 /nfs/dbraw/zinc/22/41/41/267224141.db2.gz BTTVFYVNGPXDPL-UHFFFAOYSA-N 2 0 279.472 2.445 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370161400 267295607 /nfs/dbraw/zinc/29/56/07/267295607.db2.gz KFTWPDFXTVEBNL-JSGCOSHPSA-N 2 0 292.452 2.431 20 30 CEEDRP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2[NH2+]CCC[NH+]2CCCC2)O1 ZINC000378448108 329050644 /nfs/dbraw/zinc/05/06/44/329050644.db2.gz BPFVTQXYEXXILN-WCXIOVBPSA-N 2 0 291.439 2.302 20 30 CEEDRP CC[C@]1(C)CCN(C(NC[C@H](C2CC2)[NH+](C)C)=[NH+]C)C1 ZINC000261657932 329975119 /nfs/dbraw/zinc/97/51/19/329975119.db2.gz ATSXOYKSXHGNPF-GDBMZVCRSA-N 2 0 280.460 2.024 20 30 CEEDRP C[NH+](C)C1(CNC(=[NH2+])NC2CCCCCC2)CCC1 ZINC000262765589 330030148 /nfs/dbraw/zinc/03/01/48/330030148.db2.gz HEVRXLFLVPCEOJ-UHFFFAOYSA-N 2 0 266.433 2.098 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCCCCC1 ZINC000262790731 330031590 /nfs/dbraw/zinc/03/15/90/330031590.db2.gz MZHNZDARJDFBMT-HNNXBMFYSA-N 2 0 278.444 2.194 20 30 CEEDRP C=CC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422854691 330157910 /nfs/dbraw/zinc/15/79/10/330157910.db2.gz BFPCVBUQNZIYKQ-DLBZAZTESA-N 2 0 271.408 2.371 20 30 CEEDRP C=CC(C)(C)C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423147395 330172741 /nfs/dbraw/zinc/17/27/41/330172741.db2.gz COCHXNRHNHWGGF-CYBMUJFWSA-N 2 0 282.428 2.110 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccco1 ZINC000423177045 330174994 /nfs/dbraw/zinc/17/49/94/330174994.db2.gz DOGKPXOWDSHCEG-OAHLLOKOSA-N 2 0 277.412 2.172 20 30 CEEDRP C=CCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccco1 ZINC000423177044 330175117 /nfs/dbraw/zinc/17/51/17/330175117.db2.gz DOGKPXOWDSHCEG-HNNXBMFYSA-N 2 0 277.412 2.172 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000424290959 330334727 /nfs/dbraw/zinc/33/47/27/330334727.db2.gz CWBWPLZMIRXMLO-ZFWWWQNUSA-N 2 0 266.429 2.430 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000345323340 526582002 /nfs/dbraw/zinc/58/20/02/526582002.db2.gz SHZAAPUTUBGRKL-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269555 613872665 /nfs/dbraw/zinc/87/26/65/613872665.db2.gz BMAHOFAZXQCONB-GJZGRUSLSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[C@H]1CC[N@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460336 624510350 /nfs/dbraw/zinc/51/03/50/624510350.db2.gz PBBAHHLBDBSDRY-ZWKOTPCHSA-N 2 0 286.419 2.274 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000157397802 624976049 /nfs/dbraw/zinc/97/60/49/624976049.db2.gz SQNSQQSBDQUEDK-HNNXBMFYSA-N 2 0 280.460 2.059 20 30 CEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCCC[NH+](C)C ZINC000104152812 628361414 /nfs/dbraw/zinc/36/14/14/628361414.db2.gz PFTFOGXUAYJUOO-ZDUSSCGKSA-N 2 0 256.438 2.057 20 30 CEEDRP CCCCCCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H]([NH3+])C2 ZINC000925722227 628593573 /nfs/dbraw/zinc/59/35/73/628593573.db2.gz UEULUJLVFIVZKA-ZJIFFRHRSA-N 2 0 254.418 2.299 20 30 CEEDRP CC(C)[C@@H](C[NH+]=C(N(C)C)N(C)C)[NH+]1CCCCCC1 ZINC000104160663 628630304 /nfs/dbraw/zinc/63/03/04/628630304.db2.gz CKSUUPBAFMMKQL-OAHLLOKOSA-N 2 0 282.476 2.366 20 30 CEEDRP C[C@H](CC(C)(C)C#N)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000925023111 629369725 /nfs/dbraw/zinc/36/97/25/629369725.db2.gz KWTYLDVWYYHKQE-HUUCEWRRSA-N 2 0 281.444 2.141 20 30 CEEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000261972327 629406820 /nfs/dbraw/zinc/40/68/20/629406820.db2.gz DRULYSZGLHZVTI-KFWWJZLASA-N 2 0 280.460 2.296 20 30 CEEDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000303701100 631089976 /nfs/dbraw/zinc/08/99/76/631089976.db2.gz IAXZPMNDXFQYDJ-AWEZNQCLSA-N 2 0 270.465 2.447 20 30 CEEDRP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000989079812 631722494 /nfs/dbraw/zinc/72/24/94/631722494.db2.gz YAEJGMXWSOSDSF-JSGCOSHPSA-N 2 0 298.390 2.021 20 30 CEEDRP N#Cc1csc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000897629130 631838277 /nfs/dbraw/zinc/83/82/77/631838277.db2.gz GMXMUAAQLQRBJL-UHFFFAOYSA-N 2 0 299.403 2.168 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829779 632247722 /nfs/dbraw/zinc/24/77/22/632247722.db2.gz WKJPCGYSRDOLIB-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000815107125 632960656 /nfs/dbraw/zinc/96/06/56/632960656.db2.gz KHJUTOAQENXATN-LSDHHAIUSA-N 2 0 261.413 2.486 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000900197312 633582552 /nfs/dbraw/zinc/58/25/52/633582552.db2.gz FXIQHDDGHORAGB-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000817977787 633821917 /nfs/dbraw/zinc/82/19/17/633821917.db2.gz PBJBBZGHJWFQIE-ZIAGYGMSSA-N 2 0 260.381 2.477 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000903482597 635151070 /nfs/dbraw/zinc/15/10/70/635151070.db2.gz LYJDBUKRUKNEEH-CABCVRRESA-N 2 0 257.381 2.391 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000904409654 635615116 /nfs/dbraw/zinc/61/51/16/635615116.db2.gz FOXFSOJENOXMOS-CQSZACIVSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]C ZINC000911682033 638354607 /nfs/dbraw/zinc/35/46/07/638354607.db2.gz GJHDRZBAMGGMSA-ZDUSSCGKSA-N 2 0 261.369 2.028 20 30 CEEDRP CCC[NH+]1CCN(c2ccccc2C=[NH+]OC)CC1 ZINC000915958328 640708064 /nfs/dbraw/zinc/70/80/64/640708064.db2.gz YWZXRDRTXLCIQR-UHFFFAOYSA-N 2 0 261.369 2.199 20 30 CEEDRP [NH2+]=C(NCCC[NH+]1CCCC1)NC1CCCCCC1 ZINC000179857962 641387164 /nfs/dbraw/zinc/38/71/64/641387164.db2.gz MCLJIYZCLBKPNH-UHFFFAOYSA-N 2 0 266.433 2.099 20 30 CEEDRP C#C[C@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847020687 641525357 /nfs/dbraw/zinc/52/53/57/641525357.db2.gz CYGFUOUZQLJYNX-SPCWZHTESA-N 2 0 270.420 2.233 20 30 CEEDRP C[C@H](C[NH+]=C(NCc1ccccc1)N(C)C)[NH+]1CCCC1 ZINC000848986566 642209301 /nfs/dbraw/zinc/20/93/01/642209301.db2.gz GBFRJAYIOYCJGA-OAHLLOKOSA-N 2 0 288.439 2.178 20 30 CEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999123564 642461525 /nfs/dbraw/zinc/46/15/25/642461525.db2.gz OADUVRPZSHDGPF-UHFFFAOYSA-N 2 0 298.390 2.103 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877584692 650800458 /nfs/dbraw/zinc/80/04/58/650800458.db2.gz IOSXBGANPGMTTQ-GFCCVEGCSA-N 2 0 292.814 2.428 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000852746687 643531883 /nfs/dbraw/zinc/53/18/83/643531883.db2.gz OOMXZOAVHYWVAH-UHFFFAOYSA-N 2 0 269.392 2.176 20 30 CEEDRP C=CCCCCC[C@@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000854232063 644018415 /nfs/dbraw/zinc/01/84/15/644018415.db2.gz KPAAIBCWRGQSSI-GFCCVEGCSA-N 2 0 278.400 2.256 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000858246197 645098005 /nfs/dbraw/zinc/09/80/05/645098005.db2.gz XLZKWVVMPQNHNH-KRWDZBQOSA-N 2 0 256.393 2.489 20 30 CEEDRP C#CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000764676203 645673847 /nfs/dbraw/zinc/67/38/47/645673847.db2.gz GQRSZHKIJMOQDE-UHFFFAOYSA-N 2 0 272.392 2.225 20 30 CEEDRP C[NH+]1CCN(c2ccc(C=[NH+]NC3CCCC3)cc2)CC1 ZINC000771562986 646532134 /nfs/dbraw/zinc/53/21/34/646532134.db2.gz JCEHLYPCVNEQDF-UHFFFAOYSA-N 2 0 286.423 2.305 20 30 CEEDRP C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1[O-])C[NH+](C)C ZINC000866363534 647756487 /nfs/dbraw/zinc/75/64/87/647756487.db2.gz JMORWJVYFABBFD-NEPJUHHUSA-N 2 0 261.369 2.112 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)C1 ZINC000866616367 647843631 /nfs/dbraw/zinc/84/36/31/647843631.db2.gz XTTUREFFQUXNPA-VHSSKADRSA-N 2 0 283.419 2.345 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)CC1CC[NH2+]CC1 ZINC000866698183 647872701 /nfs/dbraw/zinc/87/27/01/647872701.db2.gz ORNNIGOBJMMSSK-UHFFFAOYSA-N 2 0 257.381 2.032 20 30 CEEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@@H]1CCC[NH2+]C1 ZINC000866698546 647873278 /nfs/dbraw/zinc/87/32/78/647873278.db2.gz XSPWCSKUZVYQSU-INIZCTEOSA-N 2 0 271.408 2.422 20 30 CEEDRP C[C@@]1(C[NH2+]C2CCN(c3ccccc3C#N)CC2)CC[NH2+]C1 ZINC000873218197 649594000 /nfs/dbraw/zinc/59/40/00/649594000.db2.gz ZHKKSGYMVNPWCW-GOSISDBHSA-N 2 0 298.434 2.116 20 30 CEEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239139 649605595 /nfs/dbraw/zinc/60/55/95/649605595.db2.gz OPFPXELMAZIEAI-ZIAGYGMSSA-N 2 0 286.423 2.242 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247756 649608009 /nfs/dbraw/zinc/60/80/09/649608009.db2.gz TZUBOFQJFDSNHB-KBPBESRZSA-N 2 0 299.422 2.416 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883185582 652393003 /nfs/dbraw/zinc/39/30/03/652393003.db2.gz ABGIFSHEGYBNHC-HZPDHXFCSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CCC[C@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@H]1CCCO1 ZINC000883209384 652401553 /nfs/dbraw/zinc/40/15/53/652401553.db2.gz BBUUXWHJVKIQPR-JKSUJKDBSA-N 2 0 264.413 2.352 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000883434745 652468724 /nfs/dbraw/zinc/46/87/24/652468724.db2.gz ZUBCMHPTRKEJSO-AJNGGQMLSA-N 2 0 252.402 2.169 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271861053 806120521 /nfs/dbraw/zinc/12/05/21/806120521.db2.gz LNKPUHZAXUGBTQ-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001088381781 806173996 /nfs/dbraw/zinc/17/39/96/806173996.db2.gz MMAXMKNJSOHNRF-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001266290699 802387622 /nfs/dbraw/zinc/38/76/22/802387622.db2.gz IVVNUQDNKLFLKG-UHFFFAOYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001267513680 803520063 /nfs/dbraw/zinc/52/00/63/803520063.db2.gz BNOZQLSWCRYBIA-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282168104 804546020 /nfs/dbraw/zinc/54/60/20/804546020.db2.gz PNAMEZUFPZLRLK-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001268258767 804583014 /nfs/dbraw/zinc/58/30/14/804583014.db2.gz FGGFHXZYCKUTTG-INIZCTEOSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268366594 804634445 /nfs/dbraw/zinc/63/44/45/804634445.db2.gz NRMLDJUJSZGNEK-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C#CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586791 815192593 /nfs/dbraw/zinc/19/25/93/815192593.db2.gz TTXKFXUVXMCCRP-OAHLLOKOSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339056 809581564 /nfs/dbraw/zinc/58/15/64/809581564.db2.gz BBBAZDOZXAUTSH-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001154844513 810742667 /nfs/dbraw/zinc/74/26/67/810742667.db2.gz LEAAPLBUPFWTLU-XHSDSOJGSA-N 2 0 295.471 2.119 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1ccccc1C#N)C2 ZINC001169107675 811400987 /nfs/dbraw/zinc/40/09/87/811400987.db2.gz JVLJPYBTOZMGIG-PHZGNYQRSA-N 2 0 285.391 2.152 20 30 CEEDRP CC[NH+]1CCC([NH2+]CCCOc2cccc(C#N)c2)CC1 ZINC001169233150 811447887 /nfs/dbraw/zinc/44/78/87/811447887.db2.gz NGSMBWMUQVLJAK-UHFFFAOYSA-N 2 0 287.407 2.401 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630711 811516980 /nfs/dbraw/zinc/51/69/80/811516980.db2.gz YHFALZOKJZGSCC-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)ccc1C#N ZINC001206037036 812161545 /nfs/dbraw/zinc/16/15/45/812161545.db2.gz SLJULSDRKKIRHK-ZFWWWQNUSA-N 2 0 287.407 2.374 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)CC1([NH+](C)C)CCCC1 ZINC001131840225 812736903 /nfs/dbraw/zinc/73/69/03/812736903.db2.gz DVZIWEUWXURFOW-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132152427 812791605 /nfs/dbraw/zinc/79/16/05/812791605.db2.gz CDIFYGCOLJQGMZ-LSDHHAIUSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310914 812829092 /nfs/dbraw/zinc/82/90/92/812829092.db2.gz PZDWEGGXFZWFRY-HUUCEWRRSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410661 812844234 /nfs/dbraw/zinc/84/42/34/812844234.db2.gz MSPIGGKATYGJLL-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378169 812984557 /nfs/dbraw/zinc/98/45/57/812984557.db2.gz SNHRVWOGOMWGLU-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858054 813337627 /nfs/dbraw/zinc/33/76/27/813337627.db2.gz NHFPJIIZMZIDSY-HUUCEWRRSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170783899 813352727 /nfs/dbraw/zinc/35/27/27/813352727.db2.gz ASVMOVDDSIMZSX-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475974 813446718 /nfs/dbraw/zinc/44/67/18/813446718.db2.gz HMKUDDITVGMCBT-LSDHHAIUSA-N 2 0 297.487 2.413 20 30 CEEDRP N#Cc1c(-c2ccccc2)ccnc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170895369 813622314 /nfs/dbraw/zinc/62/23/14/813622314.db2.gz RWMSTNBCOSZAEU-OAHLLOKOSA-N 2 0 281.363 2.056 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274128 813754476 /nfs/dbraw/zinc/75/44/76/813754476.db2.gz PKQGTSYIVIQYCU-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001171173355 814052587 /nfs/dbraw/zinc/05/25/87/814052587.db2.gz AQGMMGPMHOSOGV-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC001171179304 814064009 /nfs/dbraw/zinc/06/40/09/814064009.db2.gz RCTDGOWEMJHYBT-UHOFOFEASA-N 2 0 257.381 2.349 20 30 CEEDRP C#Cc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1 ZINC001144579022 814114102 /nfs/dbraw/zinc/11/41/02/814114102.db2.gz WAUUJOWURBSJKH-UHFFFAOYSA-N 2 0 254.377 2.196 20 30 CEEDRP N#CCc1ccnc(N[C@@H]2CC[NH2+]C[C@@H]2C(F)(F)F)c1 ZINC001160736616 814205835 /nfs/dbraw/zinc/20/58/35/814205835.db2.gz DCJOGRFGRITZLB-WDEREUQCSA-N 2 0 284.285 2.100 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001171261703 814243466 /nfs/dbraw/zinc/24/34/66/814243466.db2.gz YVYQYRYYGVHJQA-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP CN1CCC[C@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336637 815680328 /nfs/dbraw/zinc/68/03/28/815680328.db2.gz HGCNYAZMOSCIMB-BHDPWAOGSA-N 2 0 261.413 2.485 20 30 CEEDRP CC[NH+]1C[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@H]2C1 ZINC001173340736 815684158 /nfs/dbraw/zinc/68/41/58/815684158.db2.gz KCIKXSVNZIIRBL-LVDPKSTMSA-N 2 0 261.413 2.342 20 30 CEEDRP C=CCOC1CCC([NH+]2CCC(C)([NH3+])CC2)CC1 ZINC001173318394 815690907 /nfs/dbraw/zinc/69/09/07/815690907.db2.gz SAEUPGKKWWQHLO-UHFFFAOYSA-N 2 0 252.402 2.313 20 30 CEEDRP CCCCCCCCCCN(C)C(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001161226032 816809966 /nfs/dbraw/zinc/80/99/66/816809966.db2.gz BUGJOBBRUZSVQS-GJZGRUSLSA-N 2 0 283.460 2.275 20 30 CEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179308692 816848553 /nfs/dbraw/zinc/84/85/53/816848553.db2.gz KIZYWRQBDNWJGW-FXUDXRNXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001179499576 816871478 /nfs/dbraw/zinc/87/14/78/816871478.db2.gz XKIODZPHEMBRAE-OAHLLOKOSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CCC1([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000668552441 539196695 /nfs/dbraw/zinc/19/66/95/539196695.db2.gz MGEHPAXJEFICQW-LSDHHAIUSA-N 2 0 264.413 2.328 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000044517416 343473100 /nfs/dbraw/zinc/47/31/00/343473100.db2.gz YRGDSSNVERFJHA-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP CCCCN(C)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602562831 347078298 /nfs/dbraw/zinc/07/82/98/347078298.db2.gz GYLZUGIJKXXWPW-OAHLLOKOSA-N 2 0 281.444 2.407 20 30 CEEDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573251 345265196 /nfs/dbraw/zinc/26/51/96/345265196.db2.gz BEAXJWVHNMXXFF-PSOPSSQASA-N 2 0 293.798 2.054 20 30 CEEDRP C[C@@H](CCC#N)CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000602579159 347086681 /nfs/dbraw/zinc/08/66/81/347086681.db2.gz BEYHCUVCFWXQGX-AWEZNQCLSA-N 2 0 287.411 2.185 20 30 CEEDRP N#C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595103653 345742910 /nfs/dbraw/zinc/74/29/10/345742910.db2.gz NMVCNFFCTVBQSG-HOTGVXAUSA-N 2 0 261.413 2.390 20 30 CEEDRP C[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000595056046 345736254 /nfs/dbraw/zinc/73/62/54/345736254.db2.gz PUCDJODSOULWBE-AWEZNQCLSA-N 2 0 271.408 2.421 20 30 CEEDRP C[NH2+]C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894788 345908640 /nfs/dbraw/zinc/90/86/40/345908640.db2.gz XHGRKSCNJBESGJ-INIZCTEOSA-N 2 0 257.381 2.032 20 30 CEEDRP C[NH2+]C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595894789 345908798 /nfs/dbraw/zinc/90/87/98/345908798.db2.gz XHGRKSCNJBESGJ-MRXNPFEDSA-N 2 0 257.381 2.032 20 30 CEEDRP CC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1[NH3+] ZINC000595895824 345909715 /nfs/dbraw/zinc/90/97/15/345909715.db2.gz WKVJTUZRZJDCQO-CVEARBPZSA-N 2 0 257.381 2.160 20 30 CEEDRP CN1CC(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597205910 346148386 /nfs/dbraw/zinc/14/83/86/346148386.db2.gz MPPSKWYXYNHCOW-UHFFFAOYSA-N 2 0 269.392 2.235 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000598679738 346399611 /nfs/dbraw/zinc/39/96/11/346399611.db2.gz LYCCKNCCWACZCY-QZTJIDSGSA-N 2 0 299.418 2.277 20 30 CEEDRP N#Cc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000598680515 346400496 /nfs/dbraw/zinc/40/04/96/346400496.db2.gz ZHZDXJMTJFQJRD-NVXWUHKLSA-N 2 0 269.392 2.380 20 30 CEEDRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C#N ZINC000600710651 346676022 /nfs/dbraw/zinc/67/60/22/346676022.db2.gz PWCCEBHRBBLAJS-CZUORRHYSA-N 2 0 257.381 2.283 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000600768898 346686429 /nfs/dbraw/zinc/68/64/29/346686429.db2.gz HRUHKQJTUSHHIK-APHBMKBZSA-N 2 0 289.379 2.012 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000600767260 346686614 /nfs/dbraw/zinc/68/66/14/346686614.db2.gz AHMYMAUVCKVLEV-UONOGXRCSA-N 2 0 273.380 2.363 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)o1 ZINC000600769877 346686967 /nfs/dbraw/zinc/68/69/67/346686967.db2.gz UHUUAFUXHLMYPU-CQSZACIVSA-N 2 0 273.380 2.363 20 30 CEEDRP C[C@H]1C[C@@H](C[N@@H+]2CCc3c(CC#N)cccc3C2)CC[NH2+]1 ZINC000600771432 346687372 /nfs/dbraw/zinc/68/73/72/346687372.db2.gz FRYDTHAEMKDENS-GJZGRUSLSA-N 2 0 283.419 2.499 20 30 CEEDRP C[NH+](C)CCC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610991848 347728096 /nfs/dbraw/zinc/72/80/96/347728096.db2.gz UAMCMIGGKHXNIA-UHFFFAOYSA-N 2 0 272.396 2.117 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994688 347730277 /nfs/dbraw/zinc/73/02/77/347730277.db2.gz IWOZIIGPTAMQEG-CJNGLKHVSA-N 2 0 272.396 2.115 20 30 CEEDRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCCC#N)CC1 ZINC000069608434 362984288 /nfs/dbraw/zinc/98/42/88/362984288.db2.gz XAGGYIFQTKDKRZ-IRXDYDNUSA-N 2 0 292.471 2.171 20 30 CEEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCOc3cccc(C#N)c3)C2)C1 ZINC000292111755 198166926 /nfs/dbraw/zinc/16/69/26/198166926.db2.gz JAQVRESGGALYGP-GOSISDBHSA-N 2 0 299.418 2.355 20 30 CEEDRP Cn1cc(C[NH2+]CCCCC[NH+]2CCCC2)cc1C#N ZINC000293228553 198567287 /nfs/dbraw/zinc/56/72/87/198567287.db2.gz ZBXGOPXLNIWMQT-UHFFFAOYSA-N 2 0 274.412 2.252 20 30 CEEDRP C[NH+]=C(NCCC[NH+](C(C)C)C(C)C)NCc1ccco1 ZINC000074797716 363395487 /nfs/dbraw/zinc/39/54/87/363395487.db2.gz DGKURFGFAXMGGS-UHFFFAOYSA-N 2 0 294.443 2.454 20 30 CEEDRP C=C(C)[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401189 541408589 /nfs/dbraw/zinc/40/85/89/541408589.db2.gz IHDBEYHRQBBLCP-DZKIICNBSA-N 2 0 266.429 2.166 20 30 CEEDRP C[N@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842611 365183175 /nfs/dbraw/zinc/18/31/75/365183175.db2.gz XAPCWVBNUGQTMK-MRXNPFEDSA-N 2 0 287.407 2.211 20 30 CEEDRP C[NH+](C)[C@H](CNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000170913021 367446922 /nfs/dbraw/zinc/44/69/22/367446922.db2.gz PBYGTVOPPOXIPK-CQSZACIVSA-N 2 0 289.427 2.319 20 30 CEEDRP C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000343553206 367879054 /nfs/dbraw/zinc/87/90/54/367879054.db2.gz PJNJOZBLXAWRJC-XJKSGUPXSA-N 2 0 257.381 2.173 20 30 CEEDRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343632772 367928467 /nfs/dbraw/zinc/92/84/67/367928467.db2.gz ZMHYDKLVDJMQPY-XJKSGUPXSA-N 2 0 257.381 2.031 20 30 CEEDRP CCN1CC[NH+](CCCC[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174267662 368004234 /nfs/dbraw/zinc/00/42/34/368004234.db2.gz KKOLHUMJESKGOW-UHFFFAOYSA-N 2 0 294.487 2.324 20 30 CEEDRP C[C@@H](CCNC(=[NH2+])Nc1ccccn1)[NH+]1CCCCC1 ZINC000181500184 368464445 /nfs/dbraw/zinc/46/44/45/368464445.db2.gz QOMCYNVYAZHGJB-ZDUSSCGKSA-N 2 0 275.400 2.073 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000246340116 370947797 /nfs/dbraw/zinc/94/77/97/370947797.db2.gz GVJLDKAWJPGCPV-YOEHRIQHSA-N 2 0 287.407 2.257 20 30 CEEDRP C=CCOc1cccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000346669874 368761449 /nfs/dbraw/zinc/76/14/49/368761449.db2.gz JDXYXKXOWJYVOG-ZFWWWQNUSA-N 2 0 260.381 2.421 20 30 CEEDRP CSC1(C[NH2+]Cc2ccc(C#N)o2)CC[NH+](C)CC1 ZINC000353203940 370070368 /nfs/dbraw/zinc/07/03/68/370070368.db2.gz CEKHHSIDYBQDIS-UHFFFAOYSA-N 2 0 279.409 2.068 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1C#N ZINC000261600958 371673656 /nfs/dbraw/zinc/67/36/56/371673656.db2.gz ZKXCUFSTOAOSMD-HRCADAONSA-N 2 0 285.391 2.126 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000264110706 371971925 /nfs/dbraw/zinc/97/19/25/371971925.db2.gz QTOYDEOIMUCCPG-ZDUSSCGKSA-N 2 0 260.385 2.145 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479663 373145795 /nfs/dbraw/zinc/14/57/95/373145795.db2.gz YSLASPCOMPXAEJ-WBVHZDCISA-N 2 0 288.391 2.035 20 30 CEEDRP C=CC[C@H](CC)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644638944 373577598 /nfs/dbraw/zinc/57/75/98/373577598.db2.gz LNFUDHNACXQQGM-DLBZAZTESA-N 2 0 276.424 2.424 20 30 CEEDRP CC#CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374838719 374633834 /nfs/dbraw/zinc/63/38/34/374633834.db2.gz ULHHFHAPHZFTKF-UHFFFAOYSA-N 2 0 257.381 2.253 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436291280 377822367 /nfs/dbraw/zinc/82/23/67/377822367.db2.gz PUJLMLBPLIRNTE-WCVJEAGWSA-N 2 0 264.413 2.184 20 30 CEEDRP C=CCC[C@@H](CC)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442879888 378012452 /nfs/dbraw/zinc/01/24/52/378012452.db2.gz WQFAAFUSPJNQDK-OAHLLOKOSA-N 2 0 267.461 2.347 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000449134762 378196870 /nfs/dbraw/zinc/19/68/70/378196870.db2.gz LGXGOMXJVFFZTM-CVEARBPZSA-N 2 0 267.461 2.347 20 30 CEEDRP N#CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370678058 260002369 /nfs/dbraw/zinc/00/23/69/260002369.db2.gz SQPKVSIROKBUMQ-DLBZAZTESA-N 2 0 269.392 2.354 20 30 CEEDRP C[NH+](C)C1(CNC(=[NH2+])Nc2cc(F)ccc2F)CCC1 ZINC000262271649 394615493 /nfs/dbraw/zinc/61/54/93/394615493.db2.gz INXUQWFXMFOPGX-UHFFFAOYSA-N 2 0 282.338 2.176 20 30 CEEDRP CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270612174 394737012 /nfs/dbraw/zinc/73/70/12/394737012.db2.gz YKANMXOJYJHNHV-ZWNOBZJWSA-N 2 0 298.793 2.006 20 30 CEEDRP CCNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000267407241 394677502 /nfs/dbraw/zinc/67/75/02/394677502.db2.gz HFHCVNIGPQJCFR-GFCCVEGCSA-N 2 0 262.401 2.040 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423377654 394906781 /nfs/dbraw/zinc/90/67/81/394906781.db2.gz VXLSBCXWVABRMR-SQWLQELKSA-N 2 0 255.365 2.405 20 30 CEEDRP C[C@@H]([NH2+]CCOCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086194 394941719 /nfs/dbraw/zinc/94/17/19/394941719.db2.gz ZPOKLZJOTUIPIC-CABCVRRESA-N 2 0 279.428 2.159 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]CCC[NH2+]C3CC3)CC2)cc1 ZINC000423569330 394952260 /nfs/dbraw/zinc/95/22/60/394952260.db2.gz WIZBBBOBLFQJGB-UHFFFAOYSA-N 2 0 298.434 2.259 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000345731245 395074207 /nfs/dbraw/zinc/07/42/07/395074207.db2.gz SIPMJNIYMRWACD-OAHLLOKOSA-N 2 0 281.444 2.359 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000289895322 395089876 /nfs/dbraw/zinc/08/98/76/395089876.db2.gz SUXIASWCZQZOFT-XWTMOSNGSA-N 2 0 286.419 2.034 20 30 CEEDRP C#Cc1ccc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000290487861 395105853 /nfs/dbraw/zinc/10/58/53/395105853.db2.gz VTPQMEYPNFPTND-SJORKVTESA-N 2 0 254.377 2.194 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346840162 395109617 /nfs/dbraw/zinc/10/96/17/395109617.db2.gz ZSWXORRRHAXNKF-USXIJHARSA-N 2 0 272.392 2.421 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000651753438 401383824 /nfs/dbraw/zinc/38/38/24/401383824.db2.gz QSSBVZHRJVSKBT-HZPDHXFCSA-N 2 0 279.472 2.347 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000229749861 153377410 /nfs/dbraw/zinc/37/74/10/153377410.db2.gz RNOKRVUKDZJYRC-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000415039319 263257415 /nfs/dbraw/zinc/25/74/15/263257415.db2.gz NWVHBNAGUWGJIT-DOMZBBRYSA-N 2 0 290.407 2.346 20 30 CEEDRP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000341885342 263363130 /nfs/dbraw/zinc/36/31/30/263363130.db2.gz WTJMDVCDOFQMQX-CYBMUJFWSA-N 2 0 254.418 2.024 20 30 CEEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)N(C)C ZINC000370163357 267295742 /nfs/dbraw/zinc/29/57/42/267295742.db2.gz SJLALFCEHXSQEL-JSGCOSHPSA-N 2 0 294.468 2.220 20 30 CEEDRP C=CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371346139 267394166 /nfs/dbraw/zinc/39/41/66/267394166.db2.gz VCNZWHOKDWXKHP-UHFFFAOYSA-N 2 0 265.445 2.053 20 30 CEEDRP CC(C)C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+](C)C ZINC000303360274 267648399 /nfs/dbraw/zinc/64/83/99/267648399.db2.gz BOFKBSPZBKXBIO-AWEZNQCLSA-N 2 0 268.449 2.009 20 30 CEEDRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000271863432 278256256 /nfs/dbraw/zinc/25/62/56/278256256.db2.gz KVOFPOUGKQWGAN-ZDUSSCGKSA-N 2 0 255.365 2.471 20 30 CEEDRP C=CC[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000186719577 329348240 /nfs/dbraw/zinc/34/82/40/329348240.db2.gz QHCVDSGKTNFBOL-HNNXBMFYSA-N 2 0 266.429 2.310 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248717510 329897719 /nfs/dbraw/zinc/89/77/19/329897719.db2.gz BZJGYNBOFNTLSD-RBSFLKMASA-N 2 0 267.417 2.015 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccccc1 ZINC000423021941 330165778 /nfs/dbraw/zinc/16/57/78/330165778.db2.gz DBCKQHFDCDEZDI-CWRNSKLLSA-N 2 0 260.381 2.042 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423105659 330170401 /nfs/dbraw/zinc/17/04/01/330170401.db2.gz ZDYLOSVHFBVXNF-QEORTHHSSA-N 2 0 289.423 2.481 20 30 CEEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423559567 330211939 /nfs/dbraw/zinc/21/19/39/330211939.db2.gz TVRXVSVLGKCQRI-XAOLJHCVSA-N 2 0 261.413 2.437 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCC#N)[C@@H](C)C1 ZINC000248444742 334302109 /nfs/dbraw/zinc/30/21/09/334302109.db2.gz BRWHBDZXVGPELV-GJZGRUSLSA-N 2 0 267.417 2.017 20 30 CEEDRP C=CCCCC[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000567441554 334718959 /nfs/dbraw/zinc/71/89/59/334718959.db2.gz OEPMQVOGWULWLD-UHFFFAOYSA-N 2 0 267.461 2.348 20 30 CEEDRP Cn1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000191095438 535924185 /nfs/dbraw/zinc/92/41/85/535924185.db2.gz XAKCCIQFVNIFGS-OAHLLOKOSA-N 2 0 276.428 2.353 20 30 CEEDRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000733902101 574690076 /nfs/dbraw/zinc/69/00/76/574690076.db2.gz LLTQAOHLADFART-JSGCOSHPSA-N 2 0 261.373 2.157 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000968915234 613348298 /nfs/dbraw/zinc/34/82/98/613348298.db2.gz DZADFZJNJLBIGZ-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001024468609 625569366 /nfs/dbraw/zinc/56/93/66/625569366.db2.gz LMNJCHSHHYUWND-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C[N@H+](CCNC(=[NH2+])N1CCCCCC1)C1CCCCC1 ZINC000305066956 622704388 /nfs/dbraw/zinc/70/43/88/622704388.db2.gz NFKCEHXQSYNLDO-UHFFFAOYSA-N 2 0 280.460 2.442 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC)c2)C1 ZINC000104179625 624320148 /nfs/dbraw/zinc/32/01/48/624320148.db2.gz SJTOCVICLVNBEM-CYBMUJFWSA-N 2 0 290.411 2.154 20 30 CEEDRP CCNC(NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)=[NH+]CC ZINC000066245710 625820242 /nfs/dbraw/zinc/82/02/42/625820242.db2.gz YEPPYEWWZUHTDP-HIFRSBDPSA-N 2 0 268.449 2.072 20 30 CEEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000902405158 634640529 /nfs/dbraw/zinc/64/05/29/634640529.db2.gz JAMJOOSYRFIGOD-IAGOWNOFSA-N 2 0 283.419 2.393 20 30 CEEDRP CSc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1C#N ZINC000925773330 628783825 /nfs/dbraw/zinc/78/38/25/628783825.db2.gz MPMGKSSJNPPXGT-DGCLKSJQSA-N 2 0 275.421 2.368 20 30 CEEDRP C[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C#N)c1 ZINC000925793758 628839446 /nfs/dbraw/zinc/83/94/46/628839446.db2.gz AZESDOYCJHZIKC-XJKCOSOUSA-N 2 0 257.381 2.454 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C#N ZINC000925837324 628935253 /nfs/dbraw/zinc/93/52/53/628935253.db2.gz GAYOBTSDFSAYKA-USXIJHARSA-N 2 0 269.392 2.344 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000925881420 628980972 /nfs/dbraw/zinc/98/09/72/628980972.db2.gz AJWWVCPDHFRFJQ-NFAWXSAZSA-N 2 0 273.380 2.367 20 30 CEEDRP CC[NH+]=C(NCC1CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261766147 629187477 /nfs/dbraw/zinc/18/74/77/629187477.db2.gz NNWXYWPTXQFSGM-CZUORRHYSA-N 2 0 292.471 2.214 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000924984903 629321754 /nfs/dbraw/zinc/32/17/54/629321754.db2.gz YMUGVQFJAUZKNO-SJORKVTESA-N 2 0 277.456 2.243 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000924984899 629321786 /nfs/dbraw/zinc/32/17/86/629321786.db2.gz YMUGVQFJAUZKNO-IAGOWNOFSA-N 2 0 277.456 2.243 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1ccccc1NCC ZINC000902575726 634731972 /nfs/dbraw/zinc/73/19/72/634731972.db2.gz OOUFXBQMECYLHF-UHFFFAOYSA-N 2 0 259.397 2.163 20 30 CEEDRP C[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261992306 629414046 /nfs/dbraw/zinc/41/40/46/629414046.db2.gz RPCNEOVACZFOIH-UKRRQHHQSA-N 2 0 292.471 2.214 20 30 CEEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])N2CCCCCC2)C1 ZINC000305039735 631105778 /nfs/dbraw/zinc/10/57/78/631105778.db2.gz CJENAZNFXDQKCG-OAHLLOKOSA-N 2 0 280.460 2.298 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCCCCC1 ZINC000305089646 631108385 /nfs/dbraw/zinc/10/83/85/631108385.db2.gz WCNZFSNLKKKGBT-AWEZNQCLSA-N 2 0 266.433 2.052 20 30 CEEDRP C[N@@H+]1CCC[C@]2(CCN(C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000815146810 632972340 /nfs/dbraw/zinc/97/23/40/632972340.db2.gz UBORSJGSZLCZML-ROUUACIJSA-N 2 0 299.418 2.009 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1CCCC ZINC000900469155 633733676 /nfs/dbraw/zinc/73/36/76/633733676.db2.gz ZTJHJKKJMBULTG-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000817932159 633785669 /nfs/dbraw/zinc/78/56/69/633785669.db2.gz RPHWLUNTYUIJKD-RRFJBIMHSA-N 2 0 254.418 2.465 20 30 CEEDRP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817944000 633790853 /nfs/dbraw/zinc/79/08/53/633790853.db2.gz VKBRGFIDWWBFJX-CYBMUJFWSA-N 2 0 261.369 2.239 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000817972383 633815038 /nfs/dbraw/zinc/81/50/38/633815038.db2.gz WMRPUMUMOHXMHM-XEZPLFJOSA-N 2 0 273.380 2.238 20 30 CEEDRP C=CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903185300 635002076 /nfs/dbraw/zinc/00/20/76/635002076.db2.gz CXESRAJWZAYBLG-WYQXTGKHSA-N 2 0 264.413 2.061 20 30 CEEDRP N#CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903168154 635002961 /nfs/dbraw/zinc/00/29/61/635002961.db2.gz SQGKVNMNCSWQMW-LQDVMPOASA-N 2 0 259.397 2.428 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000903447304 635133023 /nfs/dbraw/zinc/13/30/23/635133023.db2.gz NUIGOJLCSTXBMJ-HIFRSBDPSA-N 2 0 257.381 2.344 20 30 CEEDRP N#CC1CCC(C[NH+]2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000903453114 635137068 /nfs/dbraw/zinc/13/70/68/635137068.db2.gz ZRMYGRPKWJKHHF-UHFFFAOYSA-N 2 0 261.413 2.392 20 30 CEEDRP N#C[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000903564074 635163681 /nfs/dbraw/zinc/16/36/81/635163681.db2.gz PIFGLNLEJRSIPR-AWEZNQCLSA-N 2 0 255.365 2.068 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911691591 638360222 /nfs/dbraw/zinc/36/02/22/638360222.db2.gz CBGSZDYGJKVXKF-HNNXBMFYSA-N 2 0 283.460 2.275 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000911788618 638413169 /nfs/dbraw/zinc/41/31/69/638413169.db2.gz CGKGCXMYIHZYMV-HNNXBMFYSA-N 2 0 287.407 2.108 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000912989681 639177786 /nfs/dbraw/zinc/17/77/86/639177786.db2.gz VDCWFNMKSSRBRB-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[C@@]1(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCC[NH2+]1 ZINC000877138554 650591673 /nfs/dbraw/zinc/59/16/73/650591673.db2.gz MOTJXLIOJJXBER-UXLLHSPISA-N 2 0 285.391 2.138 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848563891 642056311 /nfs/dbraw/zinc/05/63/11/642056311.db2.gz YPKRDVBZRNRFKS-CWRNSKLLSA-N 2 0 287.407 2.407 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996674939 642126443 /nfs/dbraw/zinc/12/64/43/642126443.db2.gz DNFQWRLJBDVHCW-MRXNPFEDSA-N 2 0 293.455 2.016 20 30 CEEDRP CC(C)[N@H+](C)CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000848987754 642209961 /nfs/dbraw/zinc/20/99/61/642209961.db2.gz YHXLSWSZXYXHPC-UHFFFAOYSA-N 2 0 290.455 2.424 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850470825 642721728 /nfs/dbraw/zinc/72/17/28/642721728.db2.gz HRHVUYSNJJJCPV-ZDUSSCGKSA-N 2 0 271.364 2.434 20 30 CEEDRP C#CCOCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000851793309 643164572 /nfs/dbraw/zinc/16/45/72/643164572.db2.gz UPQHFVASZBWXLQ-SFHVURJKSA-N 2 0 286.419 2.090 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358798 643676874 /nfs/dbraw/zinc/67/68/74/643676874.db2.gz KOHQZIISLSAEJX-OAGGEKHMSA-N 2 0 266.429 2.025 20 30 CEEDRP C[C@@H]1CC2(C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382573 643688749 /nfs/dbraw/zinc/68/87/49/643688749.db2.gz DDRHHFZJVDPCIL-PBHICJAKSA-N 2 0 299.418 2.056 20 30 CEEDRP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1 ZINC000923480437 643730964 /nfs/dbraw/zinc/73/09/64/643730964.db2.gz YOBVXIOIRGHVFZ-LLVKDONJSA-N 2 0 263.772 2.382 20 30 CEEDRP C[NH+]1CCN(C2CC[NH+](CC(C)(C)CCC#N)CC2)CC1 ZINC000877747470 650892606 /nfs/dbraw/zinc/89/26/06/650892606.db2.gz NBANRCSQBJKOSD-UHFFFAOYSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000878015325 650974675 /nfs/dbraw/zinc/97/46/75/650974675.db2.gz AIPZRECIRMUJLE-HNNXBMFYSA-N 2 0 266.429 2.385 20 30 CEEDRP C=CCOCC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213622 645422542 /nfs/dbraw/zinc/42/25/42/645422542.db2.gz XOIUHJWSFHMKOF-UHFFFAOYSA-N 2 0 262.397 2.383 20 30 CEEDRP C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000862442719 646462063 /nfs/dbraw/zinc/46/20/63/646462063.db2.gz GGKDNCYWLFKZJP-MRXNPFEDSA-N 2 0 286.419 2.472 20 30 CEEDRP CCNC(NCCC1CC[NH+](C(C)C)CC1)=[NH+]CC ZINC000864358158 646977279 /nfs/dbraw/zinc/97/72/79/646977279.db2.gz MHZUKDWZXKEWGK-UHFFFAOYSA-N 2 0 268.449 2.072 20 30 CEEDRP C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1CC[NH+](C)CC1 ZINC000866616084 647843522 /nfs/dbraw/zinc/84/35/22/647843522.db2.gz VPFNONHEWNDPFJ-UGSOOPFHSA-N 2 0 283.419 2.345 20 30 CEEDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000872227175 649322443 /nfs/dbraw/zinc/32/24/43/649322443.db2.gz AZKMCAIVPWCONZ-NPCAHTBFSA-N 2 0 281.444 2.140 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000873274185 649620838 /nfs/dbraw/zinc/62/08/38/649620838.db2.gz BKDCBKOIUSNMIO-CSMYWGQOSA-N 2 0 269.392 2.003 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCCO1 ZINC000883234125 652409391 /nfs/dbraw/zinc/40/93/91/652409391.db2.gz XJPLGKDUMPHYKH-XUWVNRHRSA-N 2 0 266.429 2.430 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569858 805752247 /nfs/dbraw/zinc/75/22/47/805752247.db2.gz QKPBIBAKKKRQLZ-ARFHVFGLSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001087840077 805811837 /nfs/dbraw/zinc/81/18/37/805811837.db2.gz GPJIPYOFRBMNGP-XHSDSOJGSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088279220 806082009 /nfs/dbraw/zinc/08/20/09/806082009.db2.gz NFFZCEPELGULNR-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001271885100 806128165 /nfs/dbraw/zinc/12/81/65/806128165.db2.gz MQVJBKRPCXLROP-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C/C(N[C@@H]1CCO[C@H](C)C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001168101981 806166199 /nfs/dbraw/zinc/16/61/99/806166199.db2.gz CZUITSMZCDAHJP-MLGOLLRUSA-N 2 0 275.396 2.221 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331526 802385057 /nfs/dbraw/zinc/38/50/57/802385057.db2.gz TVPYOUSHQKJEES-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001266332632 802450005 /nfs/dbraw/zinc/45/00/05/802450005.db2.gz UUSPDCSNIHXOAH-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCCCCCC[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001209431358 802526035 /nfs/dbraw/zinc/52/60/35/802526035.db2.gz LRDZGXMYMLNMAJ-UHFFFAOYSA-N 2 0 267.461 2.302 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266551841 802708619 /nfs/dbraw/zinc/70/86/19/802708619.db2.gz AUWOEGQMWSSJRO-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001266897163 802976482 /nfs/dbraw/zinc/97/64/82/802976482.db2.gz MBGYJKCENZWYSQ-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP CN(C)/C=[NH+]/c1ccc(-n2cccc2C[NH3+])cc1C#N ZINC001167596281 803179484 /nfs/dbraw/zinc/17/94/84/803179484.db2.gz ZUTSFOJOIJLSAI-WOJGMQOQSA-N 2 0 267.336 2.029 20 30 CEEDRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC001118060066 814981279 /nfs/dbraw/zinc/98/12/79/814981279.db2.gz VLEXIPZMGKMWBX-OLZOCXBDSA-N 2 0 261.369 2.095 20 30 CEEDRP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029965 804403636 /nfs/dbraw/zinc/40/36/36/804403636.db2.gz OUIIZYLNRYNQFD-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCOCc1cccc(NC(=[NH2+])NCCCC[NH3+])c1 ZINC001167883373 804566479 /nfs/dbraw/zinc/56/64/79/804566479.db2.gz GPVLVULRMWCFKR-UHFFFAOYSA-N 2 0 276.384 2.064 20 30 CEEDRP C=CCC[N@@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001268254306 804576405 /nfs/dbraw/zinc/57/64/05/804576405.db2.gz NPVAZCAKNPNXCB-UHFFFAOYSA-N 2 0 295.471 2.073 20 30 CEEDRP C=CC[NH2+]C/C=C/CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268557276 804821245 /nfs/dbraw/zinc/82/12/45/804821245.db2.gz BPOIPWPDHKGUIZ-CMDGGOBGSA-N 2 0 293.455 2.087 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001269402150 805155779 /nfs/dbraw/zinc/15/57/79/805155779.db2.gz JDHPGBROOIVHBO-JKSUJKDBSA-N 2 0 295.471 2.310 20 30 CEEDRP C[C@H]1CN(Cc2cc(C#N)ccc2Cl)C[C@H]1C[NH3+] ZINC001205140954 807790468 /nfs/dbraw/zinc/79/04/68/807790468.db2.gz UUMFQOHKDFQVFH-GXFFZTMASA-N 2 0 263.772 2.238 20 30 CEEDRP C[NH+]1CCC2(C[NH+](Cc3ccccc3CC#N)C2)CC1 ZINC001235526395 807839672 /nfs/dbraw/zinc/83/96/72/807839672.db2.gz YIXPMLZRKKMBIS-UHFFFAOYSA-N 2 0 269.392 2.280 20 30 CEEDRP C=CCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110160419 815161712 /nfs/dbraw/zinc/16/17/12/815161712.db2.gz OBSGFNKTLSZGDY-PMPSAXMXSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127701140 808203817 /nfs/dbraw/zinc/20/38/17/808203817.db2.gz KDOBGBWIROOXTM-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001015288082 810275153 /nfs/dbraw/zinc/27/51/53/810275153.db2.gz CFGNCUWAOVJJOT-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015796009 810357648 /nfs/dbraw/zinc/35/76/48/810357648.db2.gz UKTGCISWCGGOPK-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC001121974848 815373527 /nfs/dbraw/zinc/37/35/27/815373527.db2.gz LKISVZUVAOPRPG-QWHCGFSZSA-N 2 0 295.452 2.151 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001172295411 815386630 /nfs/dbraw/zinc/38/66/30/815386630.db2.gz RFCOHPBMJUNODD-WMLDXEAASA-N 2 0 271.408 2.421 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039051687 810976196 /nfs/dbraw/zinc/97/61/96/810976196.db2.gz XTHCXZPZQGLPDK-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCOc1ccccc1C#N)C2 ZINC001169107674 811401158 /nfs/dbraw/zinc/40/11/58/811401158.db2.gz JVLJPYBTOZMGIG-MUJYYYPQSA-N 2 0 285.391 2.152 20 30 CEEDRP C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001172489106 815450750 /nfs/dbraw/zinc/45/07/50/815450750.db2.gz ZGCYUMLLOMCQOP-JYJNAYRXSA-N 2 0 279.428 2.302 20 30 CEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733619 811934260 /nfs/dbraw/zinc/93/42/60/811934260.db2.gz YQCMMXSZHYSARJ-UGUYLWEFSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733720 811934463 /nfs/dbraw/zinc/93/44/63/811934463.db2.gz CWYWANMUYOTSBE-UGUYLWEFSA-N 2 0 293.455 2.014 20 30 CEEDRP N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](F)CC3)c2c1 ZINC001206173259 815490176 /nfs/dbraw/zinc/49/01/76/815490176.db2.gz GFFOYILNELDCQO-HUUCEWRRSA-N 2 0 286.354 2.301 20 30 CEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC001170159528 812292696 /nfs/dbraw/zinc/29/26/96/812292696.db2.gz VBMHSUQUKWERTM-ROUUACIJSA-N 2 0 291.483 2.467 20 30 CEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001052428182 812991625 /nfs/dbraw/zinc/99/16/25/812991625.db2.gz FNIMEHVQRYYKGZ-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052499514 813000383 /nfs/dbraw/zinc/00/03/83/813000383.db2.gz WRFVHQYBQCJCGZ-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434214 813074096 /nfs/dbraw/zinc/07/40/96/813074096.db2.gz LLGANJCJOWRXIB-OAHLLOKOSA-N 2 0 285.476 2.249 20 30 CEEDRP C/C(N[C@@H]1CCCOCC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001170802911 813388066 /nfs/dbraw/zinc/38/80/66/813388066.db2.gz FKGRWDXDABMXEY-MRXNPFEDSA-N 2 0 275.396 2.222 20 30 CEEDRP C/C(N[C@H]1CCCOCC1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001170802910 813388092 /nfs/dbraw/zinc/38/80/92/813388092.db2.gz FKGRWDXDABMXEY-INIZCTEOSA-N 2 0 275.396 2.222 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860319 813549105 /nfs/dbraw/zinc/54/91/05/813549105.db2.gz ADGOAHZFHGELAM-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135980593 813578177 /nfs/dbraw/zinc/57/81/77/813578177.db2.gz QHBYDFVEYIKJJK-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH2+]CCCNC(=O)CCC[NH+](CCC)CCC ZINC001170876975 813584213 /nfs/dbraw/zinc/58/42/13/813584213.db2.gz QOUZTKPKJLTHPN-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP CC#CC[NH2+]CCCNC(=O)CCC[NH+](CCC)CCC ZINC001170876308 813584530 /nfs/dbraw/zinc/58/45/30/813584530.db2.gz GXQQMNCROXCCJX-UHFFFAOYSA-N 2 0 295.471 2.008 20 30 CEEDRP N#Cc1ccc(-c2ccc(N[C@H]([NH3+])CCC[NH3+])cc2)o1 ZINC001170900797 813626121 /nfs/dbraw/zinc/62/61/21/813626121.db2.gz QALNCSFWKHWKCT-HNNXBMFYSA-N 2 0 270.336 2.254 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170907116 813632247 /nfs/dbraw/zinc/63/22/47/813632247.db2.gz ZRUDWKFNIKDCCH-IAGOWNOFSA-N 3 0 288.439 2.445 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001074693850 813843673 /nfs/dbraw/zinc/84/36/73/813843673.db2.gz XBHVSUJBZJWBEI-JYJNAYRXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCOC1CCC([N@@H+]2CCC[C@H]([NH3+])CC2)CC1 ZINC001246544309 813966915 /nfs/dbraw/zinc/96/69/15/813966915.db2.gz XMDCKYSGFUNNNF-NFOMZHRRSA-N 2 0 252.402 2.313 20 30 CEEDRP C=CCC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001100681839 814171804 /nfs/dbraw/zinc/17/18/04/814171804.db2.gz VBXNGEVVRCWFAC-UHFFFAOYSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCCC[NH2+]C1CC(CNC(=O)CCCC[NH+](C)C)C1 ZINC001100887587 814199050 /nfs/dbraw/zinc/19/90/50/814199050.db2.gz JGFRSOMYLDQHCC-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164682 816364882 /nfs/dbraw/zinc/36/48/82/816364882.db2.gz DGKJPQLGACEVJK-HOTGVXAUSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179393329 816861358 /nfs/dbraw/zinc/86/13/58/816861358.db2.gz SAKRTBJQTHVZDX-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001179591285 816881388 /nfs/dbraw/zinc/88/13/88/816881388.db2.gz SOZJBIGNCRMVMV-CVEARBPZSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001179580245 816884696 /nfs/dbraw/zinc/88/46/96/816884696.db2.gz ARRNCJZCDYPKTR-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCNC(=[NH2+])NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000069672588 343789761 /nfs/dbraw/zinc/78/97/61/343789761.db2.gz GZEXCPWTKGJXMU-CYBMUJFWSA-N 2 0 274.412 2.206 20 30 CEEDRP C[N@@H+]1CCC[C@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000404102540 344877569 /nfs/dbraw/zinc/87/75/69/344877569.db2.gz GCZJPXOWMLUWQQ-CYBMUJFWSA-N 2 0 261.344 2.129 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579222 345265856 /nfs/dbraw/zinc/26/58/56/345265856.db2.gz BRLBOQQOOIBKER-SWLSCSKDSA-N 2 0 255.365 2.351 20 30 CEEDRP C[C@@H](c1cccc(C#N)c1)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184808 345335488 /nfs/dbraw/zinc/33/54/88/345335488.db2.gz RRVLEBSAXZTAKW-HNNXBMFYSA-N 2 0 299.418 2.416 20 30 CEEDRP N#C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000595051882 345735268 /nfs/dbraw/zinc/73/52/68/345735268.db2.gz WNIUUKMBGCOEKF-JKSUJKDBSA-N 2 0 291.439 2.159 20 30 CEEDRP CC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595340582 345764962 /nfs/dbraw/zinc/76/49/62/345764962.db2.gz CMFUBFXRYWDCBD-QGZVFWFLSA-N 2 0 271.408 2.374 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000595892155 345908014 /nfs/dbraw/zinc/90/80/14/345908014.db2.gz LDRRHYVUDLZOBY-QGZVFWFLSA-N 2 0 269.392 2.176 20 30 CEEDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595893090 345908353 /nfs/dbraw/zinc/90/83/53/345908353.db2.gz OZGXQHUFDKMXRK-OAHLLOKOSA-N 2 0 257.381 2.078 20 30 CEEDRP N#Cc1ccc(CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000595895979 345909631 /nfs/dbraw/zinc/90/96/31/345909631.db2.gz XVIBKRZVUNKPGH-CALCHBBNSA-N 2 0 269.392 2.032 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000596649725 346071537 /nfs/dbraw/zinc/07/15/37/346071537.db2.gz GGRSPHYBYUCHPE-HOTGVXAUSA-N 2 0 257.381 2.350 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000596651911 346072065 /nfs/dbraw/zinc/07/20/65/346072065.db2.gz RYRQODOPSGSBLX-YESZJQIVSA-N 2 0 269.392 2.078 20 30 CEEDRP N#CC1(c2ccc(CN3C[C@@H]4CCC[NH2+][C@@H]4C3)cc2)CC1 ZINC000597008514 346114373 /nfs/dbraw/zinc/11/43/73/346114373.db2.gz LJRYUDTUDPISIV-DOTOQJQBSA-N 2 0 281.403 2.426 20 30 CEEDRP CN1CCC[C@@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630321 346549324 /nfs/dbraw/zinc/54/93/24/346549324.db2.gz MJOAFWLDXMUFNV-QGZVFWFLSA-N 2 0 299.418 2.248 20 30 CEEDRP Cc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1C#N ZINC000600710815 346675671 /nfs/dbraw/zinc/67/56/71/346675671.db2.gz PSOJMFVRNTXAIA-CQSZACIVSA-N 2 0 257.381 2.428 20 30 CEEDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(C#N)o1)CC[NH2+]CC2 ZINC000600769001 346686657 /nfs/dbraw/zinc/68/66/57/346686657.db2.gz IUUOPGLUDKZAIY-GFCCVEGCSA-N 2 0 259.353 2.115 20 30 CEEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848383 347223617 /nfs/dbraw/zinc/22/36/17/347223617.db2.gz MPUORDGVBGDGGE-ZBFHGGJFSA-N 2 0 270.380 2.286 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1([NH3+])CCCC1)C(C)C ZINC000236654618 539817511 /nfs/dbraw/zinc/81/75/11/539817511.db2.gz GFIISDAYOKTTGX-HNNXBMFYSA-N 2 0 293.455 2.073 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C1([NH3+])CCCC1)C(C)C ZINC000236678129 539818120 /nfs/dbraw/zinc/81/81/20/539818120.db2.gz GFIISDAYOKTTGX-OAHLLOKOSA-N 2 0 293.455 2.073 20 30 CEEDRP C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000582958736 366981983 /nfs/dbraw/zinc/98/19/83/366981983.db2.gz ZMMCECMBYSLQSW-CZUORRHYSA-N 2 0 257.381 2.078 20 30 CEEDRP N#Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335538330 212235828 /nfs/dbraw/zinc/23/58/28/212235828.db2.gz IVROHWLBINNFJC-IAGOWNOFSA-N 2 0 269.392 2.380 20 30 CEEDRP C=CC[C@]1(C(=O)N2CCC(CC)([NH+](C)C)CC2)CCC[NH2+]1 ZINC000638981383 370886276 /nfs/dbraw/zinc/88/62/76/370886276.db2.gz RYBFBUJARYOWSW-QGZVFWFLSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000343553167 367879558 /nfs/dbraw/zinc/87/95/58/367879558.db2.gz PJNJOZBLXAWRJC-CJNGLKHVSA-N 2 0 257.381 2.173 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592283 367903399 /nfs/dbraw/zinc/90/33/99/367903399.db2.gz HYRSDSXKDVUZJK-CPUCHLNUSA-N 2 0 271.408 2.419 20 30 CEEDRP C[C@H](C[NH2+]Cc1cc(C#N)cs1)Cn1ccnc1 ZINC000177692016 368279814 /nfs/dbraw/zinc/27/98/14/368279814.db2.gz ZKKBWDZFRKINQF-LLVKDONJSA-N 2 0 260.366 2.242 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346688654 368772000 /nfs/dbraw/zinc/77/20/00/368772000.db2.gz YFIIJQDQHVOXLG-ZIAGYGMSSA-N 2 0 260.381 2.421 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000346690251 368772922 /nfs/dbraw/zinc/77/29/22/368772922.db2.gz SZPSLVQKCITHEV-UKRRQHHQSA-N 2 0 290.407 2.429 20 30 CEEDRP C=C(C)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000351759760 369651653 /nfs/dbraw/zinc/65/16/53/369651653.db2.gz STHIAOWDSVYTDV-RBSFLKMASA-N 2 0 252.402 2.136 20 30 CEEDRP C=CCC1([NH2+][C@H]2CCN(C)[C@@H](C)C2)CCOCC1 ZINC000639313926 371220021 /nfs/dbraw/zinc/22/00/21/371220021.db2.gz BJXUJOWYTPGYCD-KBPBESRZSA-N 2 0 252.402 2.184 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000261879632 371758115 /nfs/dbraw/zinc/75/81/15/371758115.db2.gz QSGNHNHXSMUVAY-CYBMUJFWSA-N 2 0 298.500 2.051 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264094919 371969131 /nfs/dbraw/zinc/96/91/31/371969131.db2.gz LTWJFSYSRSDIAU-UHFFFAOYSA-N 2 0 286.423 2.263 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289685890 376445173 /nfs/dbraw/zinc/44/51/73/376445173.db2.gz HZISHMBYTZWCAM-HYVNUMGLSA-N 2 0 274.408 2.034 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CC2 ZINC000423242708 377161882 /nfs/dbraw/zinc/16/18/82/377161882.db2.gz FQQWZPDYZZYKIV-WBMJQRKESA-N 2 0 255.365 2.135 20 30 CEEDRP COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000292983141 377382225 /nfs/dbraw/zinc/38/22/25/377382225.db2.gz NHCCEGJJIGEHLA-SFHVURJKSA-N 2 0 299.418 2.485 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000449134764 378197022 /nfs/dbraw/zinc/19/70/22/378197022.db2.gz LGXGOMXJVFFZTM-HZPDHXFCSA-N 2 0 267.461 2.347 20 30 CEEDRP CC1(C#N)CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000449148309 378197551 /nfs/dbraw/zinc/19/75/51/378197551.db2.gz JVGUCTYMJJRNCI-AQFXKWCLSA-N 2 0 293.455 2.285 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000333864114 380166775 /nfs/dbraw/zinc/16/67/75/380166775.db2.gz QQIIYWOACDIDJS-MSOLQXFVSA-N 2 0 299.418 2.277 20 30 CEEDRP CCCCNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000303891883 394480726 /nfs/dbraw/zinc/48/07/26/394480726.db2.gz QZMFERPNJMYQTO-UHFFFAOYSA-N 2 0 298.500 2.052 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051957663 394556930 /nfs/dbraw/zinc/55/69/30/394556930.db2.gz FBXKDTBUQKVMRH-UHFFFAOYSA-N 2 0 299.418 2.102 20 30 CEEDRP Cc1ccc([C@H](CNC2=[NH+]C[C@@H](C)N2)[NH+]2CCCC2)cc1 ZINC000262686660 394624094 /nfs/dbraw/zinc/62/40/94/394624094.db2.gz YODJJKZUEBGVBH-ZBFHGGJFSA-N 2 0 286.423 2.069 20 30 CEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000268954874 394703884 /nfs/dbraw/zinc/70/38/84/394703884.db2.gz FZPIXEQDQSGVDD-ROUUACIJSA-N 2 0 299.418 2.026 20 30 CEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000268964453 394704796 /nfs/dbraw/zinc/70/47/96/394704796.db2.gz KLDDRUZQIVDUCY-ZWKOTPCHSA-N 2 0 299.418 2.026 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000338942025 394934524 /nfs/dbraw/zinc/93/45/24/394934524.db2.gz OLBXLLHGFBFAAU-SJORKVTESA-N 2 0 291.439 2.113 20 30 CEEDRP C=C[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289647482 395082694 /nfs/dbraw/zinc/08/26/94/395082694.db2.gz GBCCAITUKPVGTN-FJIDUMEYSA-N 2 0 286.419 2.319 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000179149541 395179787 /nfs/dbraw/zinc/17/97/87/395179787.db2.gz WFSXVYZBWBSFMB-CKEIUWERSA-N 2 0 287.407 2.407 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000651709489 401376004 /nfs/dbraw/zinc/37/60/04/401376004.db2.gz YMGUAAAIHBRDMP-IXDOHACOSA-N 2 0 291.483 2.489 20 30 CEEDRP N#Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037408181 173183607 /nfs/dbraw/zinc/18/36/07/173183607.db2.gz DFBZKFALPXMOCY-OAHLLOKOSA-N 2 0 255.365 2.132 20 30 CEEDRP C=CC[C@]1(C(=O)N2CC[NH+](C(C)(C)CC)CC2)CCC[NH2+]1 ZINC000662833168 414766047 /nfs/dbraw/zinc/76/60/47/414766047.db2.gz ZVQKYULOUNBRGZ-QGZVFWFLSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665263094 415656088 /nfs/dbraw/zinc/65/60/88/415656088.db2.gz GCNAKNMYGSMGPZ-RBSFLKMASA-N 2 0 252.402 2.089 20 30 CEEDRP C=CC[C@]1(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CCC[NH2+]1 ZINC000662710185 415938006 /nfs/dbraw/zinc/93/80/06/415938006.db2.gz FMWKXPYVLKNUKE-BFYDXBDKSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCOc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000666943508 419485856 /nfs/dbraw/zinc/48/58/56/419485856.db2.gz QJNLDKJOPCSIPO-KBPBESRZSA-N 2 0 264.344 2.041 20 30 CEEDRP N#CCCCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961827 261174981 /nfs/dbraw/zinc/17/49/81/261174981.db2.gz SFWQTCKJBBRJIN-UHFFFAOYSA-N 2 0 279.428 2.257 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170908694 261448744 /nfs/dbraw/zinc/44/87/44/261448744.db2.gz KPPOTXZIIGJCDL-UHFFFAOYSA-N 2 0 288.439 2.485 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364339997 262209462 /nfs/dbraw/zinc/20/94/62/262209462.db2.gz FNIAQTUGVIVSAZ-QLFBSQMISA-N 2 0 252.402 2.042 20 30 CEEDRP C[NH+]=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC1CC1 ZINC000264079521 262865981 /nfs/dbraw/zinc/86/59/81/262865981.db2.gz UIPIGXWANKWHAH-INIZCTEOSA-N 2 0 286.423 2.151 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288780237 263105934 /nfs/dbraw/zinc/10/59/34/263105934.db2.gz WJPQGYLQXVJIDW-NSHDSACASA-N 2 0 296.365 2.423 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000415042582 263257321 /nfs/dbraw/zinc/25/73/21/263257321.db2.gz RALOBCHQUJCMOP-LSDHHAIUSA-N 2 0 260.381 2.468 20 30 CEEDRP CC[C@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000447527245 267222129 /nfs/dbraw/zinc/22/21/29/267222129.db2.gz DIVAJKCHZXOOMI-IRXDYDNUSA-N 2 0 287.407 2.056 20 30 CEEDRP C[N@H+](CCCC[NH2+]Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000453598617 267306219 /nfs/dbraw/zinc/30/62/19/267306219.db2.gz PVPFRQZCGRBKCF-UHFFFAOYSA-N 2 0 297.406 2.170 20 30 CEEDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(C)(C)C#N)C2)CC1 ZINC000371199089 267368708 /nfs/dbraw/zinc/36/87/08/267368708.db2.gz QZAMRGJWMPNGEE-INIZCTEOSA-N 2 0 292.471 2.027 20 30 CEEDRP C#CC[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181640450 275384329 /nfs/dbraw/zinc/38/43/29/275384329.db2.gz NKKGGXBZQWJBFC-AWEZNQCLSA-N 2 0 289.398 2.251 20 30 CEEDRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000581245537 322380304 /nfs/dbraw/zinc/38/03/04/322380304.db2.gz ILVHSTYWUOPEFZ-LLVKDONJSA-N 2 0 261.344 2.348 20 30 CEEDRP C=CCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000568107495 326943495 /nfs/dbraw/zinc/94/34/95/326943495.db2.gz OTGQUEPLZFIWQQ-HRCADAONSA-N 2 0 266.429 2.480 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262460719 330014758 /nfs/dbraw/zinc/01/47/58/330014758.db2.gz MIECECPCAPTGMT-HRCADAONSA-N 2 0 292.471 2.168 20 30 CEEDRP CN1CCC[NH+]=C1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000263116059 330044327 /nfs/dbraw/zinc/04/43/27/330044327.db2.gz LNPMAYGSCBMLSB-OAHLLOKOSA-N 2 0 278.444 2.065 20 30 CEEDRP C=CCN(CC=C)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C(C)C ZINC000422827660 330156531 /nfs/dbraw/zinc/15/65/31/330156531.db2.gz DYZZHTJQAUFMGW-GVDBMIGSSA-N 2 0 279.472 2.402 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834977 330156781 /nfs/dbraw/zinc/15/67/81/330156781.db2.gz ONLSNHHNKXBBJF-ZACQAIPSSA-N 2 0 279.472 2.415 20 30 CEEDRP C=CCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423046961 330167196 /nfs/dbraw/zinc/16/71/96/330167196.db2.gz FLPNYARBZKGTFX-SOUVJXGZSA-N 2 0 252.402 2.089 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423105658 330170623 /nfs/dbraw/zinc/17/06/23/330170623.db2.gz ZDYLOSVHFBVXNF-MRRJBJDNSA-N 2 0 289.423 2.481 20 30 CEEDRP C#CCN(CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000490947800 332131835 /nfs/dbraw/zinc/13/18/35/332131835.db2.gz ARSRQYCERLHKAZ-UHFFFAOYSA-N 2 0 254.337 2.031 20 30 CEEDRP C#CC[NH+](C)CCCN[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491070393 332146078 /nfs/dbraw/zinc/14/60/78/332146078.db2.gz BHZGPHWXMJBGIP-PKOBYXMFSA-N 2 0 299.462 2.367 20 30 CEEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530207205 333528119 /nfs/dbraw/zinc/52/81/19/333528119.db2.gz CHQQUWVHUNGVHV-QLFBSQMISA-N 2 0 266.429 2.335 20 30 CEEDRP C=CCOc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000347040585 526902150 /nfs/dbraw/zinc/90/21/50/526902150.db2.gz KRZOVJPKHASBFS-BBRMVZONSA-N 2 0 260.381 2.421 20 30 CEEDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189575387 535519476 /nfs/dbraw/zinc/51/94/76/535519476.db2.gz LUSHEFKVKUUPNI-CQSZACIVSA-N 2 0 276.428 2.497 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000968672748 613347944 /nfs/dbraw/zinc/34/79/44/613347944.db2.gz MLBRCZRSYZWQSY-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261998797 624199698 /nfs/dbraw/zinc/19/96/98/624199698.db2.gz OTOSQFHMAAGHDN-OKILXGFUSA-N 2 0 282.476 2.222 20 30 CEEDRP CC(C)CCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157390988 624975031 /nfs/dbraw/zinc/97/50/31/624975031.db2.gz HBNLKLFEAUXYIL-OAHLLOKOSA-N 2 0 282.476 2.305 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC(C)(C)C)C1 ZINC000157394125 624975319 /nfs/dbraw/zinc/97/53/19/624975319.db2.gz CHHVVBUAPZCXJD-CYBMUJFWSA-N 2 0 268.449 2.057 20 30 CEEDRP CCCCNC(=[NH2+])NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000157394919 624975356 /nfs/dbraw/zinc/97/53/56/624975356.db2.gz OOKANUJBKGDSQW-CQSZACIVSA-N 2 0 268.449 2.059 20 30 CEEDRP C=CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926522988 624979294 /nfs/dbraw/zinc/97/92/94/624979294.db2.gz SYMCBYARFOCCAO-GOOCMWNKSA-N 2 0 266.429 2.430 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000820846365 634549053 /nfs/dbraw/zinc/54/90/53/634549053.db2.gz FPWGQZWRDZOGPH-UHFFFAOYSA-N 2 0 260.381 2.048 20 30 CEEDRP C=CCN1CCC([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000892881625 627828633 /nfs/dbraw/zinc/82/86/33/627828633.db2.gz ZVVYZYMQISMYRT-UHFFFAOYSA-N 2 0 264.344 2.271 20 30 CEEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000925559018 628224262 /nfs/dbraw/zinc/22/42/62/628224262.db2.gz VIFPGBQDYDYQOK-BMFZPTHFSA-N 2 0 293.455 2.282 20 30 CEEDRP C=C(CN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1 ZINC000925635741 628333768 /nfs/dbraw/zinc/33/37/68/628333768.db2.gz OTFQNRQGUYDCKG-DMRKSPOLSA-N 2 0 254.377 2.286 20 30 CEEDRP CCC(CC)[C@@H](CNC(=[NH2+])NC(C)(C)C)[NH+](C)C ZINC000104161073 628630374 /nfs/dbraw/zinc/63/03/74/628630374.db2.gz RFPRFRZBUJDKRD-GFCCVEGCSA-N 2 0 256.438 2.056 20 30 CEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000104175772 628685742 /nfs/dbraw/zinc/68/57/42/628685742.db2.gz ZOOZLAFUJTUVST-HIFRSBDPSA-N 2 0 282.476 2.446 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C#N)CCC3)cc2)CC1 ZINC000841895675 630449087 /nfs/dbraw/zinc/44/90/87/630449087.db2.gz AWECMTREIZTURD-UHFFFAOYSA-N 2 0 298.434 2.222 20 30 CEEDRP CCCCCCNC(=[NH2+])NCC[N@H+](C)[C@@H](C)CC ZINC000303987522 631095825 /nfs/dbraw/zinc/09/58/25/631095825.db2.gz VOPWPDVUDUPYAP-ZDUSSCGKSA-N 2 0 256.438 2.201 20 30 CEEDRP C[C@H](C#N)Oc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000897621702 631826933 /nfs/dbraw/zinc/82/69/33/631826933.db2.gz OUGUXWHPRKNRBX-UWWQBHOKSA-N 2 0 299.418 2.361 20 30 CEEDRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817955271 633798683 /nfs/dbraw/zinc/79/86/83/633798683.db2.gz UUQKUEOILWAYDA-ZIAGYGMSSA-N 2 0 273.380 2.239 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)C[NH+](C)C ZINC000819101821 634068872 /nfs/dbraw/zinc/06/88/72/634068872.db2.gz FICAPBKALNGDFO-CZUORRHYSA-N 2 0 289.423 2.158 20 30 CEEDRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000819362664 634155595 /nfs/dbraw/zinc/15/55/95/634155595.db2.gz PQBASTWGAJIOCV-QGZVFWFLSA-N 2 0 287.407 2.056 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC(C[NH3+])CC1 ZINC000911670602 638343963 /nfs/dbraw/zinc/34/39/63/638343963.db2.gz NKVVVXBWVVYPHK-OAHLLOKOSA-N 2 0 283.460 2.262 20 30 CEEDRP CCC[NH+]=C(NC[C@H]1CC[N@H+](CCC)C1)NC(C)(C)C ZINC000912509289 638713139 /nfs/dbraw/zinc/71/31/39/638713139.db2.gz AHYZDXCHGYVONR-CQSZACIVSA-N 2 0 282.476 2.462 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908904 639684826 /nfs/dbraw/zinc/68/48/26/639684826.db2.gz HIHQTBAFSABNML-UHFFFAOYSA-N 2 0 288.439 2.485 20 30 CEEDRP C[NH+](C)CCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876988794 650521635 /nfs/dbraw/zinc/52/16/35/650521635.db2.gz LVBJBYOICZQSMO-UHFFFAOYSA-N 2 0 266.776 2.038 20 30 CEEDRP C[NH+]1CCC(C[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877021009 650534875 /nfs/dbraw/zinc/53/48/75/650534875.db2.gz KYBSJMHPMMVISU-UHFFFAOYSA-N 2 0 278.787 2.038 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000843339944 640394011 /nfs/dbraw/zinc/39/40/11/640394011.db2.gz FEKWSDKWCMMVDZ-BZUAXINKSA-N 2 0 285.391 2.067 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1C ZINC000993609412 640659278 /nfs/dbraw/zinc/65/92/78/640659278.db2.gz BNQFRWYMNCPQDP-XJKSGUPXSA-N 2 0 298.390 2.103 20 30 CEEDRP CC(C)CNC(=[NH2+])NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000083052658 642041866 /nfs/dbraw/zinc/04/18/66/642041866.db2.gz TUJNSMNZIFNLEJ-HNNXBMFYSA-N 2 0 290.455 2.457 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000996523043 642110799 /nfs/dbraw/zinc/11/07/99/642110799.db2.gz GIAOQPBIPQRWMA-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP C#C[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000848923426 642195474 /nfs/dbraw/zinc/19/54/74/642195474.db2.gz DTARUAFFBNSANI-OAHLLOKOSA-N 2 0 280.375 2.421 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000999564451 642495335 /nfs/dbraw/zinc/49/53/35/642495335.db2.gz YGXUYELOHWDDKW-AWEZNQCLSA-N 2 0 298.390 2.023 20 30 CEEDRP C#CCCCCCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000877525772 650767350 /nfs/dbraw/zinc/76/73/50/650767350.db2.gz AUSHZLIINFCWMF-UHFFFAOYSA-N 2 0 279.472 2.139 20 30 CEEDRP C#CCOCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000852037229 643273022 /nfs/dbraw/zinc/27/30/22/643273022.db2.gz LXVLLDCBCWKRGY-UHFFFAOYSA-N 2 0 295.386 2.007 20 30 CEEDRP C[C@H]1CC2(C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382580 643688648 /nfs/dbraw/zinc/68/86/48/643688648.db2.gz DDRHHFZJVDPCIL-YOEHRIQHSA-N 2 0 299.418 2.056 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000923388060 643692780 /nfs/dbraw/zinc/69/27/80/643692780.db2.gz NAWJILFOZRWIGS-JKSUJKDBSA-N 2 0 266.429 2.025 20 30 CEEDRP C#Cc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000839181400 644181047 /nfs/dbraw/zinc/18/10/47/644181047.db2.gz IABJASUUUAHAIO-KRWDZBQOSA-N 2 0 256.393 2.489 20 30 CEEDRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000113512271 644415685 /nfs/dbraw/zinc/41/56/85/644415685.db2.gz ISPHJWGIUKXQJN-MRXNPFEDSA-N 2 0 287.407 2.211 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000764520710 645652497 /nfs/dbraw/zinc/65/24/97/645652497.db2.gz BCCKMGPEFYFQAJ-UHFFFAOYSA-N 2 0 275.396 2.113 20 30 CEEDRP C#CCC[NH+]1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865476990 647314932 /nfs/dbraw/zinc/31/49/32/647314932.db2.gz VJGYNNBKMRCRQC-UHFFFAOYSA-N 2 0 283.297 2.246 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000865847927 647492033 /nfs/dbraw/zinc/49/20/33/647492033.db2.gz PSSRNYGUVAQELA-RCCFBDPRSA-N 2 0 281.403 2.242 20 30 CEEDRP C#CCSCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000784567870 647863639 /nfs/dbraw/zinc/86/36/39/647863639.db2.gz SYBJCCXYTPNFAV-UHFFFAOYSA-N 2 0 286.404 2.032 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000883431976 652467869 /nfs/dbraw/zinc/46/78/69/652467869.db2.gz HWSQGPSMXNREQE-NWANDNLSSA-N 2 0 252.402 2.169 20 30 CEEDRP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001271551510 805991367 /nfs/dbraw/zinc/99/13/67/805991367.db2.gz LHLFNWNUHXCBEZ-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001272178097 806570311 /nfs/dbraw/zinc/57/03/11/806570311.db2.gz BJKQGZRZQJHVBW-IYBDPMFKSA-N 2 0 295.471 2.216 20 30 CEEDRP C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266362839 802490404 /nfs/dbraw/zinc/49/04/04/802490404.db2.gz WTHAVVYEIOMSHU-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266816749 802919026 /nfs/dbraw/zinc/91/90/26/802919026.db2.gz ITODEXYSJSFLEL-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001266845116 802937338 /nfs/dbraw/zinc/93/73/38/802937338.db2.gz UNUXCXNBOUFVIV-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001266995626 803044542 /nfs/dbraw/zinc/04/45/42/803044542.db2.gz VRGQBYUTZSEKSU-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001267617800 803624038 /nfs/dbraw/zinc/62/40/38/803624038.db2.gz KNMYABRMCOALJH-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+]CCN(CC)C(=O)c1sccc1C[NH+](C)C ZINC001268455903 804699238 /nfs/dbraw/zinc/69/92/38/804699238.db2.gz CNEXQDKIWSYIKG-UHFFFAOYSA-N 2 0 295.452 2.047 20 30 CEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001270248780 805381765 /nfs/dbraw/zinc/38/17/65/805381765.db2.gz KFHKKJSFIQLBJY-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001270260790 805385252 /nfs/dbraw/zinc/38/52/52/805385252.db2.gz HQIPAJWWNAYWIA-HNNXBMFYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@H]1C ZINC001088857730 807219256 /nfs/dbraw/zinc/21/92/56/807219256.db2.gz BSQNMYYKUVDGGW-OAGGEKHMSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999354530 808793135 /nfs/dbraw/zinc/79/31/35/808793135.db2.gz QHQKRQWOBXXLHX-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001273025542 809160759 /nfs/dbraw/zinc/16/07/59/809160759.db2.gz WEHLMEIUPCGOPS-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1cncc(C#N)c1)C2 ZINC001172115983 815306464 /nfs/dbraw/zinc/30/64/64/815306464.db2.gz WXDBSLRHGSGOMP-MUJYYYPQSA-N 2 0 270.380 2.058 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cncc(C#N)c1)C2 ZINC001172115986 815307389 /nfs/dbraw/zinc/30/73/89/815307389.db2.gz WXDBSLRHGSGOMP-PHZGNYQRSA-N 2 0 270.380 2.058 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001122002870 815376869 /nfs/dbraw/zinc/37/68/69/815376869.db2.gz LNKNIBIVZGMAPT-KKUMJFAQSA-N 2 0 281.444 2.001 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCC[NH+](C)C ZINC001172292764 815383649 /nfs/dbraw/zinc/38/36/49/815383649.db2.gz QSCOXVUKQNDCNY-CQSZACIVSA-N 2 0 259.397 2.421 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1CCC ZINC001085217600 810696979 /nfs/dbraw/zinc/69/69/79/810696979.db2.gz ITQQSLNWKYJFTR-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP CC[NH+]1CCC(NC(=[NH2+])c2ccc3ccccc3n2)CC1 ZINC001169232856 811448401 /nfs/dbraw/zinc/44/84/01/811448401.db2.gz FTPSZPXMZQPCJY-UHFFFAOYSA-N 2 0 282.391 2.424 20 30 CEEDRP C=CCCCCC[NH+]1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001113275663 812208225 /nfs/dbraw/zinc/20/82/25/812208225.db2.gz VDLZGSCNXLTAPU-UHFFFAOYSA-N 2 0 295.471 2.219 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001132736955 812934975 /nfs/dbraw/zinc/93/49/75/812934975.db2.gz GUWTZOCJGHFODJ-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584606 813292979 /nfs/dbraw/zinc/29/29/79/813292979.db2.gz VOYOGTUCAYKAIE-CABCVRRESA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477655 813446110 /nfs/dbraw/zinc/44/61/10/813446110.db2.gz VVNXLZGOZNWNJD-KBPBESRZSA-N 2 0 283.460 2.023 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC001246097745 813685116 /nfs/dbraw/zinc/68/51/16/813685116.db2.gz IHQXLQSACWNNPO-QRNKSROTSA-N 2 0 266.429 2.335 20 30 CEEDRP C=C(C)CC[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100898410 814202757 /nfs/dbraw/zinc/20/27/57/814202757.db2.gz DXXGHTJWVHDZSU-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001146384952 814284913 /nfs/dbraw/zinc/28/49/13/814284913.db2.gz XJTZMWVUKIGIJI-OAHLLOKOSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537642 814295082 /nfs/dbraw/zinc/29/50/82/814295082.db2.gz ZCGWSPNYGMOSAR-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP CC[NH+](CC)C1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC001173112070 815584718 /nfs/dbraw/zinc/58/47/18/815584718.db2.gz PNZGORCZKUQJLT-UHFFFAOYSA-N 2 0 292.471 2.171 20 30 CEEDRP C=CCOC1CCC([N@@H+]2C[C@H]3C[C@@]3(C[NH+](C)C)C2)CC1 ZINC001173322766 815674396 /nfs/dbraw/zinc/67/43/96/815674396.db2.gz LQTGYYWHGITROG-RDHHWEPZSA-N 2 0 278.440 2.384 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175256774 816162884 /nfs/dbraw/zinc/16/28/84/816162884.db2.gz OJDPQCVBWDWPQC-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554252 816879818 /nfs/dbraw/zinc/87/98/18/816879818.db2.gz XJHWLDNFGLBYOP-UGUYLWEFSA-N 2 0 295.471 2.260 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001179585466 816885257 /nfs/dbraw/zinc/88/52/57/816885257.db2.gz IMLCNZIKZRPJCM-HOTGVXAUSA-N 2 0 295.471 2.026 20 30 CEEDRP C=CC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122148452 365624899 /nfs/dbraw/zinc/62/48/99/365624899.db2.gz UHFODDJUSDIODH-UHFFFAOYSA-N 2 0 254.418 2.243 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000584584676 344959386 /nfs/dbraw/zinc/95/93/86/344959386.db2.gz DGWWTNVEDWRINJ-MAZHCROVSA-N 2 0 275.396 2.233 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000591570819 345264498 /nfs/dbraw/zinc/26/44/98/345264498.db2.gz RVGMVRKAIVETDQ-WFASDCNBSA-N 2 0 261.344 2.304 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000591578244 345266004 /nfs/dbraw/zinc/26/60/04/345266004.db2.gz FXAPQUOVOJVQOB-KRWDZBQOSA-N 2 0 267.376 2.445 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000591581807 345266687 /nfs/dbraw/zinc/26/66/87/345266687.db2.gz WFYWMSZDDRXTAP-NHYWBVRUSA-N 2 0 273.355 2.490 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000592470741 345358428 /nfs/dbraw/zinc/35/84/28/345358428.db2.gz GRMNHKNBFOQOSN-CVEARBPZSA-N 2 0 257.381 2.360 20 30 CEEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000592471035 345358597 /nfs/dbraw/zinc/35/85/97/345358597.db2.gz UIMIXFOVAGQACY-KDQUWOQTSA-N 2 0 261.413 2.294 20 30 CEEDRP C[NH+]1CCC2(CC1)C[N@H+](CCCC(C)(C)C#N)CCO2 ZINC000592183225 345335013 /nfs/dbraw/zinc/33/50/13/345335013.db2.gz TWCDITMLIINHAL-UHFFFAOYSA-N 2 0 279.428 2.113 20 30 CEEDRP N#Cc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000592985658 345419228 /nfs/dbraw/zinc/41/92/28/345419228.db2.gz PFGFOGRWFINTDL-HNNXBMFYSA-N 2 0 255.365 2.323 20 30 CEEDRP C[C@H]([NH3+])c1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc1 ZINC000594424391 345625076 /nfs/dbraw/zinc/62/50/76/345625076.db2.gz CNILPLSQDVSSQP-FZMZJTMJSA-N 2 0 274.368 2.056 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166524029 539476853 /nfs/dbraw/zinc/47/68/53/539476853.db2.gz RHZMTVQGTUDUQU-DLBZAZTESA-N 2 0 277.456 2.243 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000595051879 345735531 /nfs/dbraw/zinc/73/55/31/345735531.db2.gz WNIUUKMBGCOEKF-CVEARBPZSA-N 2 0 291.439 2.159 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000596649724 346071608 /nfs/dbraw/zinc/07/16/08/346071608.db2.gz GGRSPHYBYUCHPE-CVEARBPZSA-N 2 0 257.381 2.350 20 30 CEEDRP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)CC1 ZINC000600731738 346680126 /nfs/dbraw/zinc/68/01/26/346680126.db2.gz ZJBKMYKDVIBOFX-INIZCTEOSA-N 2 0 291.439 2.038 20 30 CEEDRP CSC1(C[NH2+]C2CCC(C#N)CC2)CC[NH+](C)CC1 ZINC000602667306 347132202 /nfs/dbraw/zinc/13/22/02/347132202.db2.gz POFKEWUFMDRHAN-UHFFFAOYSA-N 2 0 281.469 2.486 20 30 CEEDRP CC[NH+](CC)C[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610993984 347729083 /nfs/dbraw/zinc/72/90/83/347729083.db2.gz PQMVNLONXBPZQW-HNNXBMFYSA-N 2 0 272.396 2.117 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623540158 350045021 /nfs/dbraw/zinc/04/50/21/350045021.db2.gz NNNRGOUSDBTKFY-MJBXVCDLSA-N 2 0 252.402 2.182 20 30 CEEDRP C=CC[C@@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@@H](CC=C)C2)C1 ZINC000625701358 350550724 /nfs/dbraw/zinc/55/07/24/350550724.db2.gz JJHQFAJVGCOYNK-HZPDHXFCSA-N 2 0 278.440 2.143 20 30 CEEDRP CCCNC(=[NH2+])NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136873204 366528525 /nfs/dbraw/zinc/52/85/25/366528525.db2.gz HUZXEHRHQGUGAF-GDBMZVCRSA-N 2 0 288.439 2.211 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1OC ZINC000666855375 540510077 /nfs/dbraw/zinc/51/00/77/540510077.db2.gz OJQUECXCKQQOSM-OAHLLOKOSA-N 2 0 290.407 2.492 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000579953580 366728545 /nfs/dbraw/zinc/72/85/45/366728545.db2.gz USGYKRPCNRJIBJ-BBRMVZONSA-N 2 0 257.381 2.230 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000580080974 366747591 /nfs/dbraw/zinc/74/75/91/366747591.db2.gz ZBPAQDPDBGGEFC-MSOLQXFVSA-N 2 0 299.418 2.277 20 30 CEEDRP C=C(C)[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401190 541408703 /nfs/dbraw/zinc/40/87/03/541408703.db2.gz IHDBEYHRQBBLCP-FMKPAKJESA-N 2 0 266.429 2.166 20 30 CEEDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340906208 367083405 /nfs/dbraw/zinc/08/34/05/367083405.db2.gz LSQUZOMEVFUIHD-ZDUSSCGKSA-N 2 0 275.371 2.471 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911748 367447031 /nfs/dbraw/zinc/44/70/31/367447031.db2.gz HPVKFEBOIDKCEU-UHFFFAOYSA-N 2 0 288.439 2.485 20 30 CEEDRP C[NH+](C)[C@@H](CNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000170913020 367447516 /nfs/dbraw/zinc/44/75/16/367447516.db2.gz PBYGTVOPPOXIPK-AWEZNQCLSA-N 2 0 289.427 2.319 20 30 CEEDRP C=C(CC)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343707966 367965358 /nfs/dbraw/zinc/96/53/58/367965358.db2.gz CAZFZIDMMCRUQY-HNNXBMFYSA-N 2 0 265.445 2.053 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCC#N)[C@H](C)C1 ZINC000184088184 368669437 /nfs/dbraw/zinc/66/94/37/368669437.db2.gz BRWHBDZXVGPELV-HUUCEWRRSA-N 2 0 267.417 2.017 20 30 CEEDRP C=CCOCCC[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000348051761 368875556 /nfs/dbraw/zinc/87/55/56/368875556.db2.gz MYZLIRNLTVDJNU-HNNXBMFYSA-N 2 0 254.418 2.243 20 30 CEEDRP C=C(C)[C@H](CO)[N@@H+](C)CCCc1nccn1CCC ZINC000683224484 541776648 /nfs/dbraw/zinc/77/66/48/541776648.db2.gz KAVLYGIAIKTZQZ-AWEZNQCLSA-N 2 0 265.401 2.095 20 30 CEEDRP CC1CC[NH+](CCCNCc2nc(C#N)cs2)CC1 ZINC000352841921 369907920 /nfs/dbraw/zinc/90/79/20/369907920.db2.gz UHUPVWFJZCDDDU-UHFFFAOYSA-N 2 0 278.425 2.226 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000247602911 371129557 /nfs/dbraw/zinc/12/95/57/371129557.db2.gz LHHMVVBPSJEBPA-QLFBSQMISA-N 2 0 293.455 2.014 20 30 CEEDRP C=CC(C)(C)CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639343994 371256754 /nfs/dbraw/zinc/25/67/54/371256754.db2.gz SBNOVMKNPBUIBO-UHFFFAOYSA-N 2 0 268.445 2.414 20 30 CEEDRP CC[NH+](CC)CC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000361507675 371887519 /nfs/dbraw/zinc/88/75/19/371887519.db2.gz GHEGYEJGGVIUPK-UHFFFAOYSA-N 2 0 288.439 2.451 20 30 CEEDRP C=CCOCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534909 372024008 /nfs/dbraw/zinc/02/40/08/372024008.db2.gz XGKFOFXFNSWYNT-UHFFFAOYSA-N 2 0 254.418 2.387 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368424583 373238792 /nfs/dbraw/zinc/23/87/92/373238792.db2.gz LWULOTCKXLUOFK-ARFHVFGLSA-N 2 0 298.496 2.385 20 30 CEEDRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000369685040 373488890 /nfs/dbraw/zinc/48/88/90/373488890.db2.gz ZEQNTKJVKWZINA-CQSZACIVSA-N 2 0 283.379 2.010 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423105556 376998601 /nfs/dbraw/zinc/99/86/01/376998601.db2.gz QSSXNZONJHGZDV-JKSUJKDBSA-N 2 0 257.381 2.208 20 30 CEEDRP C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000293689051 377701126 /nfs/dbraw/zinc/70/11/26/377701126.db2.gz QMGZQFSMAVPQSC-OAHLLOKOSA-N 2 0 259.353 2.069 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000446762567 378086267 /nfs/dbraw/zinc/08/62/67/378086267.db2.gz UTQGMRWIOIFXJA-GJZGRUSLSA-N 2 0 267.417 2.017 20 30 CEEDRP N#Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)o1 ZINC000278529277 194029230 /nfs/dbraw/zinc/02/92/30/194029230.db2.gz UPRCYCYRXXVIQK-UHFFFAOYSA-N 2 0 259.353 2.115 20 30 CEEDRP C#CCOc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000236690928 533191126 /nfs/dbraw/zinc/19/11/26/533191126.db2.gz LLZPPVOZLNABRW-UHFFFAOYSA-N 2 0 272.392 2.274 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423377651 394907363 /nfs/dbraw/zinc/90/73/63/394907363.db2.gz VXLSBCXWVABRMR-IIAWOOMASA-N 2 0 255.365 2.405 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289685891 395084012 /nfs/dbraw/zinc/08/40/12/395084012.db2.gz HZISHMBYTZWCAM-USXIJHARSA-N 2 0 274.408 2.034 20 30 CEEDRP C#CCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000372375547 395040484 /nfs/dbraw/zinc/04/04/84/395040484.db2.gz VYJOCWCRMZMIEX-HZPDHXFCSA-N 2 0 278.440 2.221 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1 ZINC000565592582 395477006 /nfs/dbraw/zinc/47/70/06/395477006.db2.gz IYWWHTDSRXPETR-UHFFFAOYSA-N 2 0 298.434 2.116 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000651675303 401369630 /nfs/dbraw/zinc/36/96/30/401369630.db2.gz PALJDHYJZLWTPR-WBVHZDCISA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000651674426 401369933 /nfs/dbraw/zinc/36/99/33/401369933.db2.gz OTCZWYXDWIOSEN-HZPDHXFCSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347523 401490713 /nfs/dbraw/zinc/49/07/13/401490713.db2.gz CXUSBRPFEYSVTF-SOUVJXGZSA-N 2 0 252.402 2.171 20 30 CEEDRP C=CCCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361785 401493869 /nfs/dbraw/zinc/49/38/69/401493869.db2.gz PGKRNSKIXSOFAE-RRFJBIMHSA-N 2 0 252.402 2.313 20 30 CEEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000657824651 415094464 /nfs/dbraw/zinc/09/44/64/415094464.db2.gz SDYJZJJTRJSEQM-IRXDYDNUSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000657846385 415102563 /nfs/dbraw/zinc/10/25/63/415102563.db2.gz NUMHURNLFZPQOC-OAGGEKHMSA-N 2 0 266.429 2.168 20 30 CEEDRP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154132 415663104 /nfs/dbraw/zinc/66/31/04/415663104.db2.gz WOABWIDMWRYUFO-GDBMZVCRSA-N 2 0 266.429 2.262 20 30 CEEDRP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662680424 415929035 /nfs/dbraw/zinc/92/90/35/415929035.db2.gz VAEAWRNLIZNABS-YQQAZPJKSA-N 2 0 293.455 2.064 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCSCC#N)[C@H](C)C1 ZINC000175721214 261242107 /nfs/dbraw/zinc/24/21/07/261242107.db2.gz ZOZTXVMGDPRNDJ-ZIAGYGMSSA-N 2 0 269.458 2.295 20 30 CEEDRP [NH2+]=C(NCCC[NH+]1CCCC1)Nc1cc(F)ccc1F ZINC000288801521 263106172 /nfs/dbraw/zinc/10/61/72/263106172.db2.gz ZBYBDJWZVZDJEG-UHFFFAOYSA-N 2 0 282.338 2.177 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H](C)CCC[NH3+])cc(OC)c1O ZINC000415023292 263256202 /nfs/dbraw/zinc/25/62/02/263256202.db2.gz MRBSJOPABHPHLO-GFCCVEGCSA-N 2 0 278.396 2.346 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415046317 263258239 /nfs/dbraw/zinc/25/82/39/263258239.db2.gz UYEOEYKPTMDXRA-HIFRSBDPSA-N 2 0 290.407 2.477 20 30 CEEDRP C[N@H+](CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884863 267124623 /nfs/dbraw/zinc/12/46/23/267124623.db2.gz IVKPNPPWGADFNV-UHFFFAOYSA-N 2 0 258.369 2.143 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000459739196 267337381 /nfs/dbraw/zinc/33/73/81/267337381.db2.gz SJHRNXHNIVHISB-GFCCVEGCSA-N 2 0 263.410 2.441 20 30 CEEDRP N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000061891805 279483493 /nfs/dbraw/zinc/48/34/93/279483493.db2.gz WVYPTRHNUINBDN-BBRMVZONSA-N 2 0 270.380 2.332 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000570790833 314058030 /nfs/dbraw/zinc/05/80/30/314058030.db2.gz YCPYLMVEUJHCRV-HIFRSBDPSA-N 2 0 278.359 2.416 20 30 CEEDRP C=CCc1cc(C[NH2+]C[C@@H](C)C[NH2+]C)cc(OC)c1O ZINC000414841429 328233843 /nfs/dbraw/zinc/23/38/43/328233843.db2.gz ODVCBFBHRDNVFS-LBPRGKRZSA-N 2 0 278.396 2.074 20 30 CEEDRP CSC1(CNC(=[NH2+])NC2CCCCC2)CC[NH+](C)CC1 ZINC000262272487 330003517 /nfs/dbraw/zinc/00/35/17/330003517.db2.gz HEFAUESDAQHEIJ-UHFFFAOYSA-N 2 0 298.500 2.051 20 30 CEEDRP [NH2+]=C(NC1CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262537644 330020205 /nfs/dbraw/zinc/02/02/05/330020205.db2.gz QEFQAAMBYSYNKU-UHFFFAOYSA-N 2 0 286.423 2.108 20 30 CEEDRP CN1CC[NH+]=C1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262673517 330025961 /nfs/dbraw/zinc/02/59/61/330025961.db2.gz SCOZYDHSHDBXFV-GXTWGEPZSA-N 2 0 292.452 2.022 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)C(C)C ZINC000422834964 330156971 /nfs/dbraw/zinc/15/69/71/330156971.db2.gz ONLSNHHNKXBBJF-BRWVUGGUSA-N 2 0 279.472 2.415 20 30 CEEDRP C=CC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422854694 330157705 /nfs/dbraw/zinc/15/77/05/330157705.db2.gz BFPCVBUQNZIYKQ-SJORKVTESA-N 2 0 271.408 2.371 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422981373 330162575 /nfs/dbraw/zinc/16/25/75/330162575.db2.gz SLMWZEFNJIXNFP-HOCLYGCPSA-N 2 0 265.445 2.147 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000424294061 330335630 /nfs/dbraw/zinc/33/56/30/330335630.db2.gz JTCKSUWOTXGSFR-GCSSGZNBSA-N 2 0 264.413 2.040 20 30 CEEDRP C=C[C@@H]1CCCCN1CC(O)C[N@@H+]1CCCC[C@H]1C=C ZINC000489499653 332057100 /nfs/dbraw/zinc/05/71/00/332057100.db2.gz SQRPKTNJZIZFIY-HZPDHXFCSA-N 2 0 278.440 2.428 20 30 CEEDRP C=CCOc1cccc(C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000347098553 526896249 /nfs/dbraw/zinc/89/62/49/526896249.db2.gz IZMFDEYXPPTRRT-UHFFFAOYSA-N 2 0 260.381 2.435 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000728712174 574468758 /nfs/dbraw/zinc/46/87/58/574468758.db2.gz XMCQZTCMHXWBCP-AWEZNQCLSA-N 2 0 275.396 2.409 20 30 CEEDRP C=CCC[NH+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780315 613491362 /nfs/dbraw/zinc/49/13/62/613491362.db2.gz CQALQSXUIJCILV-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001024468605 625568753 /nfs/dbraw/zinc/56/87/53/625568753.db2.gz LMNJCHSHHYUWND-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[C@@H]1CC[N@H+]1C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460333 624510042 /nfs/dbraw/zinc/51/00/42/624510042.db2.gz PBBAHHLBDBSDRY-MSOLQXFVSA-N 2 0 286.419 2.274 20 30 CEEDRP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CCCC)C1 ZINC001022957275 624792874 /nfs/dbraw/zinc/79/28/74/624792874.db2.gz QAMXYNFHFZSVDM-OWCLPIDISA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000066242525 625814940 /nfs/dbraw/zinc/81/49/40/625814940.db2.gz MRZFLRZFGKUFDO-UHFFFAOYSA-N 2 0 278.444 2.266 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364990 634619898 /nfs/dbraw/zinc/61/98/98/634619898.db2.gz VZFHNWACOWZVQP-MRXNPFEDSA-N 2 0 279.472 2.395 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H]([NH3+])C2 ZINC000925728536 628651855 /nfs/dbraw/zinc/65/18/55/628651855.db2.gz DCLVTTZOFJPRAT-BIQWYFBQSA-N 2 0 266.429 2.321 20 30 CEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](C)C1 ZINC000104172190 628680565 /nfs/dbraw/zinc/68/05/65/628680565.db2.gz WFFXYQSVXVGSEJ-KBPBESRZSA-N 2 0 268.449 2.057 20 30 CEEDRP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000925815145 628871149 /nfs/dbraw/zinc/87/11/49/628871149.db2.gz UCYSJYWSNRPJKE-UMVBOHGHSA-N 2 0 273.355 2.175 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000303863943 631092514 /nfs/dbraw/zinc/09/25/14/631092514.db2.gz ASRWFXZPNXWZPU-INIZCTEOSA-N 2 0 288.439 2.446 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NCC[N@@H+](C)C(C)C)cc1C ZINC000303980716 631096325 /nfs/dbraw/zinc/09/63/25/631096325.db2.gz OJUXTNPZQGASOI-UHFFFAOYSA-N 2 0 262.401 2.370 20 30 CEEDRP C#Cc1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000897621632 631825628 /nfs/dbraw/zinc/82/56/28/631825628.db2.gz LEFBTZWDCCGDEE-SJORKVTESA-N 2 0 254.377 2.051 20 30 CEEDRP C#Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000809642950 632120491 /nfs/dbraw/zinc/12/04/91/632120491.db2.gz CFTVABRQFPHQLJ-UHFFFAOYSA-N 2 0 299.462 2.174 20 30 CEEDRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817941970 633789947 /nfs/dbraw/zinc/78/99/47/633789947.db2.gz UYEPPJWATOXYJK-ZDUSSCGKSA-N 2 0 273.380 2.239 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976095 633818069 /nfs/dbraw/zinc/81/80/69/633818069.db2.gz FTNLVJLCYSERAT-WMLDXEAASA-N 2 0 284.403 2.491 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976096 633818445 /nfs/dbraw/zinc/81/84/45/633818445.db2.gz FTNLVJLCYSERAT-YOEHRIQHSA-N 2 0 284.403 2.491 20 30 CEEDRP N#Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000818966762 634019715 /nfs/dbraw/zinc/01/97/15/634019715.db2.gz OFVFLWCOZOANLG-GOSISDBHSA-N 2 0 299.418 2.056 20 30 CEEDRP Nc1ccc2c(c1)CCCC2=[NH+]NCCN1CCCCC1 ZINC000834942917 637995430 /nfs/dbraw/zinc/99/54/30/637995430.db2.gz OFQZLFXWVLIIMG-UHFFFAOYSA-N 2 0 286.423 2.385 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000876724885 650410456 /nfs/dbraw/zinc/41/04/56/650410456.db2.gz BKILYWYDOIEVME-CYBMUJFWSA-N 2 0 281.787 2.157 20 30 CEEDRP C=CCNC(NC[C@@H]1CC[N@@H+](CCC)C1)=[NH+]C(C)(C)C ZINC000912497563 638719642 /nfs/dbraw/zinc/71/96/42/638719642.db2.gz VGCNRKBKEVJDQJ-AWEZNQCLSA-N 2 0 280.460 2.238 20 30 CEEDRP CCCCCCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843346824 640398147 /nfs/dbraw/zinc/39/81/47/640398147.db2.gz OEJZVTLPSWQOIH-INIZCTEOSA-N 2 0 295.471 2.101 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)cccc1C ZINC000153322512 640461034 /nfs/dbraw/zinc/46/10/34/640461034.db2.gz HZQPHYPRNGBZSR-HNNXBMFYSA-N 2 0 288.439 2.192 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000328159589 640721939 /nfs/dbraw/zinc/72/19/39/640721939.db2.gz HOUHNZZJMIDZCF-UHFFFAOYSA-N 2 0 286.379 2.023 20 30 CEEDRP CCNC(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)=[NH+]CC ZINC000849026051 642239186 /nfs/dbraw/zinc/23/91/86/642239186.db2.gz LBGQYFDOGVRQNH-HNNXBMFYSA-N 2 0 280.460 2.359 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000878427491 651093760 /nfs/dbraw/zinc/09/37/60/651093760.db2.gz MINOOKAZXFMZQC-MRXNPFEDSA-N 2 0 279.472 2.301 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142574 642461565 /nfs/dbraw/zinc/46/15/65/642461565.db2.gz BHBYHLQAUQHGAR-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999609147 642501327 /nfs/dbraw/zinc/50/13/27/642501327.db2.gz KAMUQVRSTRPXAG-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507514 643744555 /nfs/dbraw/zinc/74/45/55/643744555.db2.gz QEACHCZPESPONE-NVXWUHKLSA-N 2 0 280.456 2.415 20 30 CEEDRP C#CC[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000862445433 646463149 /nfs/dbraw/zinc/46/31/49/646463149.db2.gz TVHGYRMCRUKABB-OAHLLOKOSA-N 2 0 280.375 2.421 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000865847925 647492239 /nfs/dbraw/zinc/49/22/39/647492239.db2.gz PSSRNYGUVAQELA-KZNAEPCWSA-N 2 0 281.403 2.242 20 30 CEEDRP C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC[NH+](C)CC1 ZINC000866616083 647843537 /nfs/dbraw/zinc/84/35/37/647843537.db2.gz VPFNONHEWNDPFJ-SCLBCKFNSA-N 2 0 283.419 2.345 20 30 CEEDRP C#CCCCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000784584092 647864998 /nfs/dbraw/zinc/86/49/98/647864998.db2.gz PGRZTUBEDYDALS-UHFFFAOYSA-N 2 0 268.364 2.469 20 30 CEEDRP C[N@@H+](CCc1cccc(C#N)c1)CC[C@H]1CCC[NH2+]C1 ZINC000866698547 647873432 /nfs/dbraw/zinc/87/34/32/647873432.db2.gz XSPWCSKUZVYQSU-MRXNPFEDSA-N 2 0 271.408 2.422 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000873218917 649594965 /nfs/dbraw/zinc/59/49/65/649594965.db2.gz BVVPBEJNNNATEW-INIZCTEOSA-N 2 0 257.381 2.032 20 30 CEEDRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873274959 649620978 /nfs/dbraw/zinc/62/09/78/649620978.db2.gz IAYQGIXSEGIXRD-LRDDRELGSA-N 2 0 257.381 2.133 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])C2 ZINC000873276652 649622151 /nfs/dbraw/zinc/62/21/51/649622151.db2.gz VOICGIQXOKIRDL-OIISXLGYSA-N 2 0 269.392 2.133 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000873279995 649623438 /nfs/dbraw/zinc/62/34/38/649623438.db2.gz OCKRGLVFPOZSPP-MELADBBJSA-N 2 0 254.418 2.321 20 30 CEEDRP C=CCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879594511 651328480 /nfs/dbraw/zinc/32/84/80/651328480.db2.gz LBEHZAFPWVQRJS-UHFFFAOYSA-N 2 0 265.445 2.055 20 30 CEEDRP C[C@H]1C[N@H+](CCCSCC#N)CCN1c1cc[nH+]cc1 ZINC000880263355 651412634 /nfs/dbraw/zinc/41/26/34/651412634.db2.gz WZCXEVRTHGFIRR-AWEZNQCLSA-N 2 0 290.436 2.239 20 30 CEEDRP C#CC[N@H+]1CCC[C@@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000884610054 652941838 /nfs/dbraw/zinc/94/18/38/652941838.db2.gz CEJVJVRYAAYCBD-LLVKDONJSA-N 2 0 283.297 2.032 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001168029958 805821714 /nfs/dbraw/zinc/82/17/14/805821714.db2.gz LAFMPYSVLJZJHU-CVEARBPZSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030052 805822130 /nfs/dbraw/zinc/82/21/30/805822130.db2.gz MCGXBPZLBTUPAT-HOTGVXAUSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000715051404 814926027 /nfs/dbraw/zinc/92/60/27/814926027.db2.gz CDHCQGUXOMFSHU-AXFHLTTASA-N 2 0 250.308 2.410 20 30 CEEDRP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001271261632 805904292 /nfs/dbraw/zinc/90/42/92/805904292.db2.gz OTDXDKYKEAASQB-HOTGVXAUSA-N 2 0 295.471 2.166 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563350 806420261 /nfs/dbraw/zinc/42/02/61/806420261.db2.gz NHNPKJQEAMDNRT-OWCLPIDISA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC001267839798 803768764 /nfs/dbraw/zinc/76/87/64/803768764.db2.gz CSHLIEQKJAWFQT-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001027480668 804087074 /nfs/dbraw/zinc/08/70/74/804087074.db2.gz KKMMXNSOYAATQK-OAHLLOKOSA-N 2 0 298.390 2.057 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027917576 804341012 /nfs/dbraw/zinc/34/10/12/804341012.db2.gz CDGGDGDDQMAPRJ-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028028728 804400977 /nfs/dbraw/zinc/40/09/77/804400977.db2.gz IRMPTKMYKGLYDG-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1C ZINC001268138768 804481244 /nfs/dbraw/zinc/48/12/44/804481244.db2.gz CSKRJRWLBCUQRP-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001268162516 804498144 /nfs/dbraw/zinc/49/81/44/804498144.db2.gz JDYOVNFWNJVPSZ-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168434285 807410179 /nfs/dbraw/zinc/41/01/79/807410179.db2.gz ORWSPZDAAAMDTC-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP C#CCOc1ccc(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1 ZINC001205102405 807635467 /nfs/dbraw/zinc/63/54/67/807635467.db2.gz RNHXNLPNOFSBRM-HNNXBMFYSA-N 2 0 258.365 2.012 20 30 CEEDRP CCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235003155 807759714 /nfs/dbraw/zinc/75/97/14/807759714.db2.gz UAYIOAHHUMUEQI-CVEARBPZSA-N 2 0 268.445 2.251 20 30 CEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171596958 815202987 /nfs/dbraw/zinc/20/29/87/815202987.db2.gz SKPRRSBKHYDJIB-HNNXBMFYSA-N 2 0 295.471 2.005 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115698251 808514313 /nfs/dbraw/zinc/51/43/13/808514313.db2.gz WSOUGSSNYHPJHG-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP Cc1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1C#N ZINC000702432956 809553633 /nfs/dbraw/zinc/55/36/33/809553633.db2.gz OQRDATPSHGKYHX-SJORKVTESA-N 2 0 269.392 2.250 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001121991744 815374966 /nfs/dbraw/zinc/37/49/66/815374966.db2.gz ZKHYUFCEKDDEIQ-HZPDHXFCSA-N 2 0 295.471 2.298 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC1CCCC1 ZINC001122018001 815377706 /nfs/dbraw/zinc/37/77/06/815377706.db2.gz BKWDYCHJCQMDJK-OAHLLOKOSA-N 2 0 281.444 2.038 20 30 CEEDRP C=CC[NH+](CC=C)CCN1CC[NH+](CC2CCC2)CC1 ZINC001202793034 810693361 /nfs/dbraw/zinc/69/33/61/810693361.db2.gz RDCITPDYMKTBSH-UHFFFAOYSA-N 2 0 277.456 2.078 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001129329545 811110984 /nfs/dbraw/zinc/11/09/84/811110984.db2.gz YFBQAHTYRUBZOA-JKSUJKDBSA-N 2 0 295.471 2.025 20 30 CEEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(Cc2cccnc2)CC1 ZINC001172493456 815453034 /nfs/dbraw/zinc/45/30/34/815453034.db2.gz SVIXCXNMVHYAJV-OAHLLOKOSA-N 2 0 286.423 2.500 20 30 CEEDRP C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673294 811926287 /nfs/dbraw/zinc/92/62/87/811926287.db2.gz HPESBLSZWLBQPA-FZKCQIBNSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001052938032 812476822 /nfs/dbraw/zinc/47/68/22/812476822.db2.gz PKRFUHZPERXDLD-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130303783 812554892 /nfs/dbraw/zinc/55/48/92/812554892.db2.gz JRNBZXNMYSYKBY-OAHLLOKOSA-N 2 0 283.460 2.147 20 30 CEEDRP C=CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378167 812984798 /nfs/dbraw/zinc/98/47/98/812984798.db2.gz SNHRVWOGOMWGLU-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849599 813165666 /nfs/dbraw/zinc/16/56/66/813165666.db2.gz AJKUQAXTKKXDMP-HNNXBMFYSA-N 2 0 283.460 2.004 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001133906444 813175157 /nfs/dbraw/zinc/17/51/57/813175157.db2.gz WAZGKQVYGLHQKZ-CQSZACIVSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170742959 813243935 /nfs/dbraw/zinc/24/39/35/813243935.db2.gz OZNOWZFXAYCGKD-JKSUJKDBSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001135478043 813446146 /nfs/dbraw/zinc/44/61/46/813446146.db2.gz UIUAKECEZSWHCM-HOTGVXAUSA-N 2 0 297.487 2.413 20 30 CEEDRP N#Cc1cc(Nc2ccc(C[NH3+])cc2)cc(C2C[NH2+]C2)c1 ZINC001159483924 813447780 /nfs/dbraw/zinc/44/77/80/813447780.db2.gz FHBBPSAGDCPQGF-UHFFFAOYSA-N 2 0 278.359 2.447 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135688122 813503243 /nfs/dbraw/zinc/50/32/43/813503243.db2.gz CKFXXZBQHWORRO-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@@]([NH3+])(CC)CO)cc1 ZINC001170866832 813564258 /nfs/dbraw/zinc/56/42/58/813564258.db2.gz ZTMBZLUUAKFLIR-SJORKVTESA-N 2 0 289.423 2.479 20 30 CEEDRP C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC[NH+](C)CC1 ZINC000396480049 813569700 /nfs/dbraw/zinc/56/97/00/813569700.db2.gz ZXFGHMIWZSQUKO-AWEZNQCLSA-N 2 0 287.407 2.409 20 30 CEEDRP C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001246539444 813944490 /nfs/dbraw/zinc/94/44/90/813944490.db2.gz HNLLUEPJHJLZIJ-WOSRLPQWSA-N 2 0 257.381 2.016 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171248446 814223465 /nfs/dbraw/zinc/22/34/65/814223465.db2.gz VFWLPGMLSSZGKC-GOEBONIOSA-N 2 0 295.471 2.167 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365180 814557900 /nfs/dbraw/zinc/55/79/00/814557900.db2.gz KINDVLNQMHHVAT-UHFFFAOYSA-N 2 0 285.476 2.395 20 30 CEEDRP C#CCOc1ccc(C[N@H+](CC)CCn2ccnc2)cc1 ZINC001138560200 815830952 /nfs/dbraw/zinc/83/09/52/815830952.db2.gz LETUNZLVOUQJJP-UHFFFAOYSA-N 2 0 283.375 2.417 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001175255812 816163471 /nfs/dbraw/zinc/16/34/71/816163471.db2.gz HIGGFUCUWCIQDF-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176582574 816436346 /nfs/dbraw/zinc/43/63/46/816436346.db2.gz HQWWURJXGRAZGW-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753639 816472701 /nfs/dbraw/zinc/47/27/01/816472701.db2.gz JHSOADZPSULWNE-HNNXBMFYSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@H]1C ZINC001179079418 816832060 /nfs/dbraw/zinc/83/20/60/816832060.db2.gz LKFAPKAGJLKRCQ-BBRMVZONSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[NH2+]CCCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001179592733 816881606 /nfs/dbraw/zinc/88/16/06/816881606.db2.gz KYQMCOMSAYBIJL-UHFFFAOYSA-N 2 0 297.487 2.417 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000044517426 343473446 /nfs/dbraw/zinc/47/34/46/343473446.db2.gz UJAWRYDYNBIRFG-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000333346366 539323700 /nfs/dbraw/zinc/32/37/00/539323700.db2.gz USDYVKSCSAQTQA-IWCQGFGOSA-N 2 0 291.439 2.036 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128524230 365794324 /nfs/dbraw/zinc/79/43/24/365794324.db2.gz VANDWBIXYADVCO-INIZCTEOSA-N 2 0 267.461 2.348 20 30 CEEDRP C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000091617332 344168308 /nfs/dbraw/zinc/16/83/08/344168308.db2.gz SGZJYMMWGJWDPX-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)CC1 ZINC000602481130 347053110 /nfs/dbraw/zinc/05/31/10/347053110.db2.gz FICIDSXTRMFGJG-IAGOWNOFSA-N 2 0 292.471 2.027 20 30 CEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573252 345265238 /nfs/dbraw/zinc/26/52/38/345265238.db2.gz BEAXJWVHNMXXFF-VZJVUDMVSA-N 2 0 293.798 2.054 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595058178 345736876 /nfs/dbraw/zinc/73/68/76/345736876.db2.gz YWNIXURSPUQTLS-WMLDXEAASA-N 2 0 271.408 2.421 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000596651908 346072111 /nfs/dbraw/zinc/07/21/11/346072111.db2.gz RYRQODOPSGSBLX-BRWVUGGUSA-N 2 0 269.392 2.078 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000598683292 346400103 /nfs/dbraw/zinc/40/01/03/346400103.db2.gz REDFTAHRMNJEMQ-BZSNNMDCSA-N 2 0 299.418 2.277 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000598684306 346400158 /nfs/dbraw/zinc/40/01/58/346400158.db2.gz VOVZKVNHTVCVOH-KURKYZTESA-N 2 0 299.418 2.419 20 30 CEEDRP CC(C)[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598720131 346407443 /nfs/dbraw/zinc/40/74/43/346407443.db2.gz MLOYELMKQDNMET-OAHLLOKOSA-N 2 0 283.460 2.386 20 30 CEEDRP C[C@H](CC[NH2+]C[C@@H](O)CC(C)(C)C#N)[NH+]1CCCCC1 ZINC000598723119 346408598 /nfs/dbraw/zinc/40/85/98/346408598.db2.gz FEVMTKMFHAZRGN-CABCVRRESA-N 2 0 281.444 2.141 20 30 CEEDRP N#CCc1cccc2c1CCN(C[C@H]1CCC[NH2+]C1)C2 ZINC000600752436 346684260 /nfs/dbraw/zinc/68/42/60/346684260.db2.gz XFTVILJSLWWDLD-AWEZNQCLSA-N 2 0 269.392 2.110 20 30 CEEDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc(C#N)n3)C2)CC1 ZINC000602661939 347129637 /nfs/dbraw/zinc/12/96/37/347129637.db2.gz JIEJZSSDVBOWDD-OAHLLOKOSA-N 2 0 284.407 2.117 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCC[C@@H]2C#N)CC1 ZINC000602981019 347263982 /nfs/dbraw/zinc/26/39/82/347263982.db2.gz YQSRXFBGXJMZOE-SJORKVTESA-N 2 0 292.471 2.027 20 30 CEEDRP CC(C)(C#N)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000614160908 348152533 /nfs/dbraw/zinc/15/25/33/348152533.db2.gz TXBSINAZNOXBMW-HUUCEWRRSA-N 2 0 269.392 2.139 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000404815793 233193891 /nfs/dbraw/zinc/19/38/91/233193891.db2.gz BEBYTCRWHNOTDE-UKRRQHHQSA-N 2 0 261.344 2.304 20 30 CEEDRP C[NH+]1CCC(CC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000105454577 186057864 /nfs/dbraw/zinc/05/78/64/186057864.db2.gz CDQNUUJSNHRQSQ-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694781 539945181 /nfs/dbraw/zinc/94/51/81/539945181.db2.gz MMEGRKKHXBCSCS-GDBMZVCRSA-N 2 0 289.423 2.336 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(C#N)c1 ZINC000150973028 366609412 /nfs/dbraw/zinc/60/94/12/366609412.db2.gz KUFWIOULOFGCID-MRXNPFEDSA-N 2 0 275.396 2.005 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000090106712 364040608 /nfs/dbraw/zinc/04/06/08/364040608.db2.gz GVJLDKAWJPGCPV-PBHICJAKSA-N 2 0 287.407 2.257 20 30 CEEDRP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC000335878079 365104766 /nfs/dbraw/zinc/10/47/66/365104766.db2.gz QDGPSMOOAKASHR-BBRMVZONSA-N 2 0 257.381 2.439 20 30 CEEDRP C=CCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000117881241 365129157 /nfs/dbraw/zinc/12/91/57/365129157.db2.gz NYXSLOAFTOFCJH-INIZCTEOSA-N 2 0 265.445 2.055 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186691529 369021483 /nfs/dbraw/zinc/02/14/83/369021483.db2.gz NINRYZGESYTWEH-GDBMZVCRSA-N 2 0 292.423 2.215 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000186710534 369025836 /nfs/dbraw/zinc/02/58/36/369025836.db2.gz SJDPJVVBZGVRIN-DZGCQCFKSA-N 2 0 271.364 2.460 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998356 369030084 /nfs/dbraw/zinc/03/00/84/369030084.db2.gz DSBONPXMYDFDIB-DZGCQCFKSA-N 2 0 260.381 2.278 20 30 CEEDRP C=CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000635000529 369035336 /nfs/dbraw/zinc/03/53/36/369035336.db2.gz QAQRDZWWNHLGBD-UKRRQHHQSA-N 2 0 260.381 2.278 20 30 CEEDRP N#Cc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360929506 371548147 /nfs/dbraw/zinc/54/81/47/371548147.db2.gz XNLRCOAVYSCKBI-KZNAEPCWSA-N 2 0 281.403 2.474 20 30 CEEDRP C=CCNC(=[NH2+])NCC1CC[NH+](Cc2cccs2)CC1 ZINC000264080755 371965656 /nfs/dbraw/zinc/96/56/56/371965656.db2.gz HCDMSANIYJQNTN-UHFFFAOYSA-N 2 0 292.452 2.050 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCCC2CC[NH+](C)CC2)cc1 ZINC000264093567 371969157 /nfs/dbraw/zinc/96/91/57/371969157.db2.gz LUYURRMEMWKAIR-UHFFFAOYSA-N 2 0 290.411 2.154 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000268656512 372170698 /nfs/dbraw/zinc/17/06/98/372170698.db2.gz LBBJRLJSLSVJQH-HOTGVXAUSA-N 2 0 296.374 2.194 20 30 CEEDRP C#CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280496143 375222272 /nfs/dbraw/zinc/22/22/72/375222272.db2.gz QLGXGYXJSGZIHH-HDICACEKSA-N 2 0 268.404 2.464 20 30 CEEDRP C=CCCC[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420391524 376686831 /nfs/dbraw/zinc/68/68/31/376686831.db2.gz OJPIEMYPPCZFCS-LSDHHAIUSA-N 2 0 252.402 2.171 20 30 CEEDRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423248570 377168638 /nfs/dbraw/zinc/16/86/38/377168638.db2.gz NKTSKBVAPNMEJT-VXGBXAGGSA-N 2 0 261.344 2.348 20 30 CEEDRP COCC1(C[NH2+][C@H](C)c2cccc(C#N)c2)CC[NH2+]CC1 ZINC000423400551 377270209 /nfs/dbraw/zinc/27/02/09/377270209.db2.gz FRHYAUWABOJDOD-CQSZACIVSA-N 2 0 287.407 2.225 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000449217966 378198995 /nfs/dbraw/zinc/19/89/95/378198995.db2.gz DFUFTZKQIZFCHU-MRXNPFEDSA-N 2 0 267.461 2.348 20 30 CEEDRP N#CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678060 260002380 /nfs/dbraw/zinc/00/23/80/260002380.db2.gz SQPKVSIROKBUMQ-IRXDYDNUSA-N 2 0 269.392 2.354 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000303866011 394480175 /nfs/dbraw/zinc/48/01/75/394480175.db2.gz CCRFQAGYGWUPFR-ZDUSSCGKSA-N 2 0 294.468 2.274 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000044687210 394508169 /nfs/dbraw/zinc/50/81/69/394508169.db2.gz NOARUWQBFARPJK-SWLSCSKDSA-N 2 0 255.365 2.446 20 30 CEEDRP CC[N@H+](C)Cc1cccc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000262011799 394611545 /nfs/dbraw/zinc/61/15/45/394611545.db2.gz UIVAIOHINRLGNW-UHFFFAOYSA-N 2 0 276.428 2.118 20 30 CEEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)N(C)C ZINC000262528875 394619558 /nfs/dbraw/zinc/61/95/58/394619558.db2.gz MHXBGDHIPHCWGP-MRXNPFEDSA-N 2 0 288.439 2.130 20 30 CEEDRP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1C#N ZINC000414906034 394798168 /nfs/dbraw/zinc/79/81/68/394798168.db2.gz LVURHGQKEHONBN-INIZCTEOSA-N 2 0 273.380 2.046 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)cc1F ZINC000423523681 394944923 /nfs/dbraw/zinc/94/49/23/394944923.db2.gz YZPAJKLDYMWNJF-DMDPSCGWSA-N 2 0 261.344 2.475 20 30 CEEDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339202073 394950749 /nfs/dbraw/zinc/95/07/49/394950749.db2.gz GQXFZPPSPUSVBI-SJORKVTESA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CC ZINC000661114802 415101940 /nfs/dbraw/zinc/10/19/40/415101940.db2.gz MONALUYMTXKCHU-QLFBSQMISA-N 2 0 254.418 2.024 20 30 CEEDRP C=CC[C@@]1(C(=O)NCCC[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000662666862 415926020 /nfs/dbraw/zinc/92/60/20/415926020.db2.gz WOCJJYCTGCCFDK-KRWDZBQOSA-N 2 0 293.455 2.067 20 30 CEEDRP C=CC[C@]1(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CCC[NH2+]1 ZINC000662735350 415948541 /nfs/dbraw/zinc/94/85/41/415948541.db2.gz NBTYQYRKVFEHJF-DOTOQJQBSA-N 2 0 293.455 2.065 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)Nc1ccccc1 ZINC000277532186 263041741 /nfs/dbraw/zinc/04/17/41/263041741.db2.gz OZOQEDYJVSMRIG-HNNXBMFYSA-N 2 0 272.396 2.430 20 30 CEEDRP COCC1(C[NH2+][C@@H](C)c2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000423413726 267438240 /nfs/dbraw/zinc/43/82/40/267438240.db2.gz ZWIWYYPWTLFSPY-AWEZNQCLSA-N 2 0 287.407 2.225 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)cs1 ZINC000150992754 280085833 /nfs/dbraw/zinc/08/58/33/280085833.db2.gz ZRHQCMAQBZJPLM-CYBMUJFWSA-N 2 0 281.425 2.066 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000150999447 280085882 /nfs/dbraw/zinc/08/58/82/280085882.db2.gz OBGKQIJKRIGJPI-MRXNPFEDSA-N 2 0 275.396 2.005 20 30 CEEDRP CN(CCC#N)c1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271830988 328197928 /nfs/dbraw/zinc/19/79/28/328197928.db2.gz ORJUVQGZAJETBL-UHFFFAOYSA-N 2 0 298.434 2.388 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185808005 329329504 /nfs/dbraw/zinc/32/95/04/329329504.db2.gz ITVZAMWGWBMNNX-GOEBONIOSA-N 2 0 279.428 2.159 20 30 CEEDRP C=C(C)C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188318090 329366068 /nfs/dbraw/zinc/36/60/68/329366068.db2.gz OUKSIRQCZGEBPX-KRWDZBQOSA-N 2 0 274.408 2.131 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000126806651 329594584 /nfs/dbraw/zinc/59/45/84/329594584.db2.gz GEESJIVVNSNZGU-INIZCTEOSA-N 2 0 266.429 2.121 20 30 CEEDRP CC[C@]1(C)CCN(C(NC[C@@H](C2CC2)[NH+](C)C)=[NH+]C)C1 ZINC000261657936 329975261 /nfs/dbraw/zinc/97/52/61/329975261.db2.gz ATSXOYKSXHGNPF-GOEBONIOSA-N 2 0 280.460 2.024 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000262794036 330032107 /nfs/dbraw/zinc/03/21/07/330032107.db2.gz LIQLHZCEEXSNPU-HNNXBMFYSA-N 2 0 278.444 2.264 20 30 CEEDRP [NH2+]=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1CCC1 ZINC000263034114 330039929 /nfs/dbraw/zinc/03/99/29/330039929.db2.gz BQFKCMDXNIXOEN-UHFFFAOYSA-N 2 0 278.444 2.053 20 30 CEEDRP [NH2+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CCC1 ZINC000263063127 330041394 /nfs/dbraw/zinc/04/13/94/330041394.db2.gz FTHOCDGGOIJSMN-OAHLLOKOSA-N 2 0 278.444 2.240 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC1CCC1 ZINC000263063125 330041402 /nfs/dbraw/zinc/04/14/02/330041402.db2.gz FTHOCDGGOIJSMN-HNNXBMFYSA-N 2 0 278.444 2.240 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422972650 330164670 /nfs/dbraw/zinc/16/46/70/330164670.db2.gz ACOWISKDQGRJCP-GOEBONIOSA-N 2 0 265.445 2.134 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000423100757 330170140 /nfs/dbraw/zinc/17/01/40/330170140.db2.gz HISOPRPPDOHWJV-XOKHGSTOSA-N 2 0 290.407 2.093 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CCC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000451683640 331039055 /nfs/dbraw/zinc/03/90/55/331039055.db2.gz SINXZYFDDBSTBN-NCOADZHNSA-N 2 0 294.439 2.023 20 30 CEEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCC(C)(C)C#N)CC1 ZINC000451977099 331049206 /nfs/dbraw/zinc/04/92/06/331049206.db2.gz CVOFYEIHGZSZIL-UHFFFAOYSA-N 2 0 294.487 2.322 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000453256987 331108317 /nfs/dbraw/zinc/10/83/17/331108317.db2.gz GSHYROCEXBLUKG-HOTGVXAUSA-N 2 0 266.429 2.168 20 30 CEEDRP C#CC[N@H+](C)CCCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164658 332159229 /nfs/dbraw/zinc/15/92/29/332159229.db2.gz DHIFYVHZHDINLV-MOPGFXCFSA-N 2 0 299.462 2.367 20 30 CEEDRP C=C(C)C[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000352859191 526624838 /nfs/dbraw/zinc/62/48/38/526624838.db2.gz RPPGZHKKYVVYKD-UHFFFAOYSA-N 2 0 273.424 2.494 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)cc1 ZINC000728711885 574468748 /nfs/dbraw/zinc/46/87/48/574468748.db2.gz PYROOZHJXIWWHE-UONOGXRCSA-N 2 0 284.363 2.352 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001024436226 625553561 /nfs/dbraw/zinc/55/35/61/625553561.db2.gz AJFARSRIEDJJTI-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[C@H]1CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934460506 624507954 /nfs/dbraw/zinc/50/79/54/624507954.db2.gz JOWYVWGXRWPBDZ-INIZCTEOSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001026503208 628340374 /nfs/dbraw/zinc/34/03/74/628340374.db2.gz NUARGSJVIREORO-UYSNPLJNSA-N 2 0 293.455 2.064 20 30 CEEDRP CSc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1C#N ZINC000925773326 628783880 /nfs/dbraw/zinc/78/38/80/628783880.db2.gz MPMGKSSJNPPXGT-AAEUAGOBSA-N 2 0 275.421 2.368 20 30 CEEDRP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1C#N ZINC000925836830 628934285 /nfs/dbraw/zinc/93/42/85/628934285.db2.gz DMGRLGOIBMFMBC-HIFRSBDPSA-N 2 0 257.381 2.344 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCC(CC)(CC)C1 ZINC000262012676 629436793 /nfs/dbraw/zinc/43/67/93/629436793.db2.gz XACVZLORWGABBF-HNNXBMFYSA-N 2 0 294.487 2.416 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])N(C)C1CC1 ZINC000305821242 631120146 /nfs/dbraw/zinc/12/01/46/631120146.db2.gz OXAMHHNQNDJVID-CYBMUJFWSA-N 2 0 266.433 2.050 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+](C)C ZINC000900171069 633560568 /nfs/dbraw/zinc/56/05/68/633560568.db2.gz GISRLAYSUMXKNQ-UHFFFAOYSA-N 2 0 275.396 2.195 20 30 CEEDRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817917056 633775874 /nfs/dbraw/zinc/77/58/74/633775874.db2.gz DQFJTSXUUFCSHJ-OLZOCXBDSA-N 2 0 261.369 2.367 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976093 633818757 /nfs/dbraw/zinc/81/87/57/633818757.db2.gz FTNLVJLCYSERAT-PBHICJAKSA-N 2 0 284.403 2.491 20 30 CEEDRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(C#N)ccn1 ZINC000903024121 634945737 /nfs/dbraw/zinc/94/57/37/634945737.db2.gz VHFBXZRZRMMFFY-LRVUVFPRSA-N 2 0 272.396 2.477 20 30 CEEDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000903474523 635143884 /nfs/dbraw/zinc/14/38/84/635143884.db2.gz NPJWCGRDFJYQRD-ZBFHGGJFSA-N 2 0 299.418 2.009 20 30 CEEDRP C#CC[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000829810359 636935814 /nfs/dbraw/zinc/93/58/14/636935814.db2.gz OQYVWBUHJMCPFN-SFHVURJKSA-N 2 0 291.483 2.138 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]C(C)C)C1 ZINC000912509338 638713853 /nfs/dbraw/zinc/71/38/53/638713853.db2.gz COUCVZOWRUIPKB-AWEZNQCLSA-N 2 0 282.476 2.460 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911818 639684906 /nfs/dbraw/zinc/68/49/06/639684906.db2.gz YGERZHIBPIOUGK-UHFFFAOYSA-N 2 0 286.423 2.263 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000993542349 640656047 /nfs/dbraw/zinc/65/60/47/640656047.db2.gz ZKYYDWUZBIZMIQ-XJKSGUPXSA-N 2 0 298.390 2.103 20 30 CEEDRP COc1ccc(O)c(/C=N/C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000846756868 641413728 /nfs/dbraw/zinc/41/37/28/641413728.db2.gz NNBBTSGEBZINAX-ZBPJJPRESA-N 2 0 262.353 2.160 20 30 CEEDRP C#C[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020685 641525484 /nfs/dbraw/zinc/52/54/84/641525484.db2.gz CYGFUOUZQLJYNX-PJHKVULZSA-N 2 0 270.420 2.233 20 30 CEEDRP C#C[C@H]1CCC[N@@H+](C[C@H](C)C[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847022010 641527101 /nfs/dbraw/zinc/52/71/01/641527101.db2.gz RFQQEZMFPIMQGS-NNZMDNLPSA-N 2 0 272.436 2.313 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000996643712 642123831 /nfs/dbraw/zinc/12/38/31/642123831.db2.gz FLCBDEUXCDDPSA-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997065076 642178552 /nfs/dbraw/zinc/17/85/52/642178552.db2.gz YJKLJZBIDPRZNS-MRXNPFEDSA-N 2 0 293.455 2.016 20 30 CEEDRP CNC(NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000848989568 642211175 /nfs/dbraw/zinc/21/11/75/642211175.db2.gz XTEAISOFHVMQPJ-GOEBONIOSA-N 2 0 288.439 2.082 20 30 CEEDRP C[NH+]=C(NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC1 ZINC000848997280 642217013 /nfs/dbraw/zinc/21/70/13/642217013.db2.gz UCQUMLXFKOGUOY-CHWSQXEVSA-N 2 0 280.460 2.070 20 30 CEEDRP C[NH+]=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC1CC1 ZINC000849025855 642239336 /nfs/dbraw/zinc/23/93/36/642239336.db2.gz FZHHYMNRBVSQSP-OAHLLOKOSA-N 2 0 278.444 2.111 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000998769036 642432886 /nfs/dbraw/zinc/43/28/86/642432886.db2.gz ICBDITPQCAXELC-UHFFFAOYSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999142569 642461639 /nfs/dbraw/zinc/46/16/39/642461639.db2.gz BHBYHLQAUQHGAR-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923391271 643690481 /nfs/dbraw/zinc/69/04/81/643690481.db2.gz XFOKLDDDNBWHEI-JKSUJKDBSA-N 2 0 266.429 2.025 20 30 CEEDRP C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494043 643738120 /nfs/dbraw/zinc/73/81/20/643738120.db2.gz KEYVPOZJJFVHGQ-BBRMVZONSA-N 2 0 257.381 2.017 20 30 CEEDRP CC[C@@H](CC#N)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000762793613 645452116 /nfs/dbraw/zinc/45/21/16/645452116.db2.gz IKKANCOPGCMDDZ-INIZCTEOSA-N 2 0 286.423 2.220 20 30 CEEDRP C=CC[C@@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000878158773 651018053 /nfs/dbraw/zinc/01/80/53/651018053.db2.gz OEFQZKLRNVFIGE-HUUCEWRRSA-N 2 0 254.418 2.384 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@@H]2CCC[C@@H]21 ZINC000866617583 647844088 /nfs/dbraw/zinc/84/40/88/647844088.db2.gz LTTKQRLGZDCDJL-XWSJACJDSA-N 2 0 295.430 2.488 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000873215974 649593498 /nfs/dbraw/zinc/59/34/98/649593498.db2.gz HPESKKYDWFKTPQ-RDJZCZTQSA-N 2 0 298.434 2.387 20 30 CEEDRP C=CCOCC[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703563 651341665 /nfs/dbraw/zinc/34/16/65/651341665.db2.gz OLVQVOPYIMOVKO-UHFFFAOYSA-N 2 0 268.445 2.489 20 30 CEEDRP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271839544 806112683 /nfs/dbraw/zinc/11/26/83/806112683.db2.gz SYGSLQMXHUSEEJ-BZUAXINKSA-N 2 0 295.471 2.023 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001271902968 806135427 /nfs/dbraw/zinc/13/54/27/806135427.db2.gz TZIWEOQJGFGHHE-HOTGVXAUSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCC[C@H](C)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228895705 806358432 /nfs/dbraw/zinc/35/84/32/806358432.db2.gz PBJTXLRXTJLHDN-HNNXBMFYSA-N 2 0 295.471 2.264 20 30 CEEDRP C[NH+](C)C1CCC([NH2+]CCOc2cccc(C#N)c2)CC1 ZINC001168303767 806639324 /nfs/dbraw/zinc/63/93/24/806639324.db2.gz CCRRWHVTWTVPPE-UHFFFAOYSA-N 2 0 287.407 2.399 20 30 CEEDRP C=CCCC[NH+]1CCN(CCC[NH+](CC)CC)CC1 ZINC001209160238 802479068 /nfs/dbraw/zinc/47/90/68/802479068.db2.gz LAGRNGWAKOPIPX-UHFFFAOYSA-N 2 0 267.461 2.302 20 30 CEEDRP C=CCCCC[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001209202381 802482972 /nfs/dbraw/zinc/48/29/72/802482972.db2.gz BVRKTUREEHKHGQ-CVEARBPZSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCCC[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266400175 802530128 /nfs/dbraw/zinc/53/01/28/802530128.db2.gz ACEYVRILTBPHKV-UHFFFAOYSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CCCC[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639999 803229214 /nfs/dbraw/zinc/22/92/14/803229214.db2.gz KFSFAJVAAGSTJD-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267482670 803505014 /nfs/dbraw/zinc/50/50/14/803505014.db2.gz URSNYIQAFBQRMY-CVEARBPZSA-N 2 0 295.471 2.216 20 30 CEEDRP N#CC1(c2ccccc2)CC([NH2+]CC2=CC[NH2+]CC2)C1 ZINC001118122684 814986166 /nfs/dbraw/zinc/98/61/66/814986166.db2.gz ZGYXYFZPFCERBB-UHFFFAOYSA-N 2 0 267.376 2.120 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001027983640 804380945 /nfs/dbraw/zinc/38/09/45/804380945.db2.gz BUDCLTGIDKYVBV-CQSZACIVSA-N 2 0 298.390 2.023 20 30 CEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC001268228820 804556084 /nfs/dbraw/zinc/55/60/84/804556084.db2.gz XNLZLJZXROXRIA-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268239058 804566260 /nfs/dbraw/zinc/56/62/60/804566260.db2.gz OWEGPICSOJMQRL-HNNXBMFYSA-N 2 0 295.471 2.216 20 30 CEEDRP C=C(C)CC[NH+]1CC(NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030442178 807189953 /nfs/dbraw/zinc/18/99/53/807189953.db2.gz OKONKWHGOZNBKS-INIZCTEOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168614194 808722382 /nfs/dbraw/zinc/72/23/82/808722382.db2.gz DNHBVBQBGUYVOD-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP CC(C)[NH+]=C(NCCC1CC[NH+](C)CC1)NC(C)(C)C ZINC001120549662 815236323 /nfs/dbraw/zinc/23/63/23/815236323.db2.gz LBDSXJPODGZJNF-UHFFFAOYSA-N 2 0 282.476 2.460 20 30 CEEDRP C=C(C)CC[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034129885 809527012 /nfs/dbraw/zinc/52/70/12/809527012.db2.gz FFZDCNHPZFRJAL-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034339055 809581398 /nfs/dbraw/zinc/58/13/98/809581398.db2.gz BBBAZDOZXAUTSH-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923306921 810084396 /nfs/dbraw/zinc/08/43/96/810084396.db2.gz WIRRNTZTDOGRST-MRXNPFEDSA-N 2 0 272.392 2.053 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923306920 810084620 /nfs/dbraw/zinc/08/46/20/810084620.db2.gz WIRRNTZTDOGRST-INIZCTEOSA-N 2 0 272.392 2.053 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015791100 810355276 /nfs/dbraw/zinc/35/52/76/810355276.db2.gz ADVQSPZRBBTUDT-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC001172295410 815386879 /nfs/dbraw/zinc/38/68/79/815386879.db2.gz RFCOHPBMJUNODD-RHSMWYFYSA-N 2 0 271.408 2.421 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052712361 812450608 /nfs/dbraw/zinc/45/06/08/812450608.db2.gz HLXAJLJQAZVVSE-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@@H]1C ZINC001132106362 812787941 /nfs/dbraw/zinc/78/79/41/812787941.db2.gz TYRNYIFSRLZAJV-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001132795491 812947948 /nfs/dbraw/zinc/94/79/48/812947948.db2.gz SFYMRICLCMMNGG-MRXNPFEDSA-N 2 0 293.455 2.065 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051923 812976143 /nfs/dbraw/zinc/97/61/43/812976143.db2.gz VCYNYGVHLAPGCP-UHFFFAOYSA-N 2 0 271.449 2.004 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134762994 813322131 /nfs/dbraw/zinc/32/21/31/813322131.db2.gz JWEUXNDZHALQTC-HOTGVXAUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613211 814299896 /nfs/dbraw/zinc/29/98/96/814299896.db2.gz SDWVJAIGBRDJST-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP CN1CCC[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173336640 815680848 /nfs/dbraw/zinc/68/08/48/815680848.db2.gz HGCNYAZMOSCIMB-KNIAUWFNSA-N 2 0 261.413 2.485 20 30 CEEDRP N#CCC1CCC([N@@H+](C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173334343 815680889 /nfs/dbraw/zinc/68/08/89/815680889.db2.gz QLLQKOLPWWPLET-DHAXNPMCSA-N 2 0 291.439 2.430 20 30 CEEDRP CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206210392 815778141 /nfs/dbraw/zinc/77/81/41/815778141.db2.gz KGWHQCRPJWGZFA-HZPDHXFCSA-N 2 0 275.371 2.382 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001176283924 816377362 /nfs/dbraw/zinc/37/73/62/816377362.db2.gz AXXMCIVMSXVLFD-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC001177149121 816525587 /nfs/dbraw/zinc/52/55/87/816525587.db2.gz ZTEKMQMGRXUNJE-UHFFFAOYSA-N 2 0 284.306 2.345 20 30 CEEDRP C=C(C)CC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045783 816663781 /nfs/dbraw/zinc/66/37/81/816663781.db2.gz VFIPUJAOVLCYJG-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226575 816816232 /nfs/dbraw/zinc/81/62/32/816816232.db2.gz JLPYVACQAWZLOI-CQSZACIVSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001179591288 816880679 /nfs/dbraw/zinc/88/06/79/816880679.db2.gz SOZJBIGNCRMVMV-JKSUJKDBSA-N 2 0 295.471 2.026 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000601334986 346823710 /nfs/dbraw/zinc/82/37/10/346823710.db2.gz PSKCJFDHDYVXOE-SJORKVTESA-N 2 0 269.392 2.175 20 30 CEEDRP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000594440276 345631576 /nfs/dbraw/zinc/63/15/76/345631576.db2.gz BKSADSUFIYJFGT-OAHLLOKOSA-N 2 0 297.362 2.222 20 30 CEEDRP CC[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595895928 345909399 /nfs/dbraw/zinc/90/93/99/345909399.db2.gz WKVJTUZRZJDCQO-JKSUJKDBSA-N 2 0 257.381 2.160 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000598680297 346399313 /nfs/dbraw/zinc/39/93/13/346399313.db2.gz VHYTZGRMYZQYKG-MRXNPFEDSA-N 2 0 269.392 2.380 20 30 CEEDRP N#CCc1cccc2c1CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000600703131 346674434 /nfs/dbraw/zinc/67/44/34/346674434.db2.gz LEJQTYQNHNLDPA-UHFFFAOYSA-N 2 0 269.392 2.110 20 30 CEEDRP C[C@@H](CCC#N)CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000602741847 347182058 /nfs/dbraw/zinc/18/20/58/347182058.db2.gz WIIMQNVVMSYGIG-AWEZNQCLSA-N 2 0 287.411 2.185 20 30 CEEDRP N#CCC[C@@H](C#N)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844717 347221685 /nfs/dbraw/zinc/22/16/85/347221685.db2.gz DVDMAXNDDJMEHW-HNNXBMFYSA-N 2 0 283.379 2.037 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000106034063 186099760 /nfs/dbraw/zinc/09/97/60/186099760.db2.gz SGLHLMGXGCRDFX-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629560533 351414866 /nfs/dbraw/zinc/41/48/66/351414866.db2.gz FOGJBVBLNYRCDX-MNOVXSKESA-N 2 0 250.308 2.412 20 30 CEEDRP C[NH+](C)CCC1CC[NH+](CCCSCC#N)CC1 ZINC000074982102 363429653 /nfs/dbraw/zinc/42/96/53/363429653.db2.gz VDVLLRLBVVJEHM-UHFFFAOYSA-N 2 0 269.458 2.297 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000153051964 540120057 /nfs/dbraw/zinc/12/00/57/540120057.db2.gz MHBKKGFPEJJEBZ-HNNXBMFYSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1CC1 ZINC000120081260 365369450 /nfs/dbraw/zinc/36/94/50/365369450.db2.gz HZZOMQQVYRVJNO-QGZVFWFLSA-N 2 0 279.472 2.347 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=[NH2+])N(C)C ZINC000170911261 367446301 /nfs/dbraw/zinc/44/63/01/367446301.db2.gz ZUXYWMLJIFNMST-AWEZNQCLSA-N 2 0 288.439 2.437 20 30 CEEDRP C[N@H+](CCCNC(=[NH2+])Nc1ccccn1)C1CCCCC1 ZINC000170913395 367446366 /nfs/dbraw/zinc/44/63/66/367446366.db2.gz LWYLWVXYWOXVFR-UHFFFAOYSA-N 2 0 289.427 2.463 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000343942145 368083267 /nfs/dbraw/zinc/08/32/67/368083267.db2.gz UTHRJKBUJVAXFA-CQSZACIVSA-N 2 0 277.412 2.466 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336059 370368248 /nfs/dbraw/zinc/36/82/48/370368248.db2.gz LFPKFRHZQFGNDE-DLBZAZTESA-N 2 0 269.392 2.474 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000264144858 371978871 /nfs/dbraw/zinc/97/88/71/371978871.db2.gz XRRWFFVTLPHOBU-INIZCTEOSA-N 2 0 286.423 2.304 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264056227 371957065 /nfs/dbraw/zinc/95/70/65/371957065.db2.gz BAISYGBCUGZYAF-AWEZNQCLSA-N 2 0 288.439 2.485 20 30 CEEDRP C=CCCC[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420377465 376684464 /nfs/dbraw/zinc/68/44/64/376684464.db2.gz LBVBKIKCQFUGHV-GJZGRUSLSA-N 2 0 252.402 2.171 20 30 CEEDRP COc1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)ccc1C#N ZINC000290434475 376776988 /nfs/dbraw/zinc/77/69/88/376776988.db2.gz LLKYBJLFUKLOAZ-CZUORRHYSA-N 2 0 287.407 2.339 20 30 CEEDRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423248569 377168984 /nfs/dbraw/zinc/16/89/84/377168984.db2.gz NKTSKBVAPNMEJT-RYUDHWBXSA-N 2 0 261.344 2.348 20 30 CEEDRP C=CCCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000565755904 377695219 /nfs/dbraw/zinc/69/52/19/377695219.db2.gz GMCKELADYUAFPR-QGZVFWFLSA-N 2 0 279.472 2.445 20 30 CEEDRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000278683316 194101761 /nfs/dbraw/zinc/10/17/61/194101761.db2.gz JXHSRYKULPNUTI-INIZCTEOSA-N 2 0 287.407 2.056 20 30 CEEDRP C=CCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239962 380198319 /nfs/dbraw/zinc/19/83/19/380198319.db2.gz JIGQRROROVEALA-HNNXBMFYSA-N 2 0 252.402 2.043 20 30 CEEDRP CNC(=[NH2+])NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000267464602 394680383 /nfs/dbraw/zinc/68/03/83/394680383.db2.gz WBKIIWMYALIRNY-DZGCQCFKSA-N 2 0 276.428 2.286 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC(C)(C)C[NH+](C)C)cc1 ZINC000104153639 394717624 /nfs/dbraw/zinc/71/76/24/394717624.db2.gz XNBMRDXPUWNJME-UHFFFAOYSA-N 2 0 278.400 2.010 20 30 CEEDRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)ccc1C#N ZINC000414957393 394825210 /nfs/dbraw/zinc/82/52/10/394825210.db2.gz BKQQRUGPPHJOHQ-HNNXBMFYSA-N 2 0 273.380 2.189 20 30 CEEDRP C=CCOCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339139185 394945933 /nfs/dbraw/zinc/94/59/33/394945933.db2.gz CPROIGJGARBSID-QZTJIDSGSA-N 2 0 286.419 2.253 20 30 CEEDRP C[N@@H+]1CCC[C@]2(CC[NH+](CCCSCC#N)C2)C1 ZINC000339441655 394961073 /nfs/dbraw/zinc/96/10/73/394961073.db2.gz YSHMUKHSNIGDSJ-AWEZNQCLSA-N 2 0 267.442 2.051 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCC(C)(C)C#N ZINC000374421773 395081345 /nfs/dbraw/zinc/08/13/45/395081345.db2.gz PLGOLLANCHKGLF-OWCLPIDISA-N 2 0 293.455 2.500 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411309192 395326547 /nfs/dbraw/zinc/32/65/47/395326547.db2.gz QRXVVKPQCNQYLY-LSDHHAIUSA-N 2 0 267.417 2.111 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239131 395455230 /nfs/dbraw/zinc/45/52/30/395455230.db2.gz DCBRDGVMNRYAMC-SFHVURJKSA-N 2 0 299.418 2.149 20 30 CEEDRP C=CCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000569899637 395580928 /nfs/dbraw/zinc/58/09/28/395580928.db2.gz GMLNRHMDSLDYQA-DLBZAZTESA-N 2 0 279.472 2.301 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000651753437 401383532 /nfs/dbraw/zinc/38/35/32/401383532.db2.gz QSSBVZHRJVSKBT-HOTGVXAUSA-N 2 0 279.472 2.347 20 30 CEEDRP CCC[NH+]1CCC(C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000190955078 153150220 /nfs/dbraw/zinc/15/02/20/153150220.db2.gz SHGSWOFWJYDGRK-UHFFFAOYSA-N 2 0 274.412 2.108 20 30 CEEDRP C[N@@H+]1CC[C@]2(C1)CCCN(CC#Cc1ccccc1)C2 ZINC000660664755 414923454 /nfs/dbraw/zinc/92/34/54/414923454.db2.gz SLGFLSSGLXDIOJ-SFHVURJKSA-N 2 0 268.404 2.456 20 30 CEEDRP C=CCOCCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000658209656 415256394 /nfs/dbraw/zinc/25/63/94/415256394.db2.gz ITUNULMAWFIFKV-UHFFFAOYSA-N 2 0 252.402 2.043 20 30 CEEDRP C=CCOCCC[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665262967 415655352 /nfs/dbraw/zinc/65/53/52/415655352.db2.gz CXLGVQMHWDOGQJ-CABCVRRESA-N 2 0 254.418 2.480 20 30 CEEDRP C=CCCC[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154138 415662006 /nfs/dbraw/zinc/66/20/06/415662006.db2.gz WOABWIDMWRYUFO-HOCLYGCPSA-N 2 0 266.429 2.262 20 30 CEEDRP C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252572 415717232 /nfs/dbraw/zinc/71/72/32/415717232.db2.gz AUWNSHJIANKFRG-KRWDZBQOSA-N 2 0 286.419 2.238 20 30 CEEDRP C=CC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H](C)COC ZINC000662298823 415761689 /nfs/dbraw/zinc/76/16/89/415761689.db2.gz HLRPGVYOWNMKMI-AWEZNQCLSA-N 2 0 254.418 2.289 20 30 CEEDRP CC#CC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364473007 262248172 /nfs/dbraw/zinc/24/81/72/262248172.db2.gz ZJFFRBWVDPODGZ-WFASDCNBSA-N 2 0 277.437 2.275 20 30 CEEDRP C=CCOc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414831239 263056311 /nfs/dbraw/zinc/05/63/11/263056311.db2.gz MXHAVTGXYJQQTO-AWEZNQCLSA-N 2 0 260.381 2.341 20 30 CEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288771325 263106094 /nfs/dbraw/zinc/10/60/94/263106094.db2.gz UXCRLGXKCOTUEF-UHFFFAOYSA-N 2 0 270.327 2.033 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1OC ZINC000415049149 263255469 /nfs/dbraw/zinc/25/54/69/263255469.db2.gz AQDRVOLVYVRELQ-CYBMUJFWSA-N 2 0 278.396 2.477 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc(OC)c1O ZINC000415039320 263257331 /nfs/dbraw/zinc/25/73/31/263257331.db2.gz NWVHBNAGUWGJIT-IUODEOHRSA-N 2 0 290.407 2.346 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000459739199 267335614 /nfs/dbraw/zinc/33/56/14/267335614.db2.gz SJHRNXHNIVHISB-LBPRGKRZSA-N 2 0 263.410 2.441 20 30 CEEDRP N#Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1F ZINC000423164715 268232392 /nfs/dbraw/zinc/23/23/92/268232392.db2.gz OZLLUDFXFKVQBU-UHFFFAOYSA-N 2 0 261.344 2.304 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000423389731 270908438 /nfs/dbraw/zinc/90/84/38/270908438.db2.gz JOWJADRULFTOJI-ZIBATOQPSA-N 2 0 261.344 2.346 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+]C3CCC([NH3+])CC3)CC2)cc1 ZINC000332390165 274923510 /nfs/dbraw/zinc/92/35/10/274923510.db2.gz RCAULBDMDHZTPU-UHFFFAOYSA-N 2 0 298.434 2.387 20 30 CEEDRP C[NH+](C)C1CC([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000566475625 298992119 /nfs/dbraw/zinc/99/21/19/298992119.db2.gz NLYMZKFZAXYAPJ-UHFFFAOYSA-N 2 0 298.434 2.209 20 30 CEEDRP C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1C[NH2+]C1 ZINC000566672604 299013189 /nfs/dbraw/zinc/01/31/89/299013189.db2.gz PAYHOLGSCWXVAO-IGEOTXOUSA-N 2 0 299.418 2.446 20 30 CEEDRP N#Cc1cccc(C2([NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000567179635 313890557 /nfs/dbraw/zinc/89/05/57/313890557.db2.gz NMCAEWUTHWMXMJ-CABCVRRESA-N 2 0 255.365 2.407 20 30 CEEDRP CN(C)C(=[NH2+])NCC1([NH+]2CCCCC2)CCCCC1 ZINC000170906029 329071835 /nfs/dbraw/zinc/07/18/35/329071835.db2.gz IEYGVYSAJQTXCK-UHFFFAOYSA-N 2 0 266.433 2.052 20 30 CEEDRP Cn1ccnc1CC1CC[NH+](CCCSCC#N)CC1 ZINC000173886838 329153440 /nfs/dbraw/zinc/15/34/40/329153440.db2.gz ZIZRYBGPBDBYDG-UHFFFAOYSA-N 2 0 292.452 2.321 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000178643722 329201669 /nfs/dbraw/zinc/20/16/69/329201669.db2.gz HEXBIJOVQJUJQP-CVEARBPZSA-N 2 0 281.444 2.407 20 30 CEEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000262672571 330025849 /nfs/dbraw/zinc/02/58/49/330025849.db2.gz PZELAYAVIWXHBH-FZMZJTMJSA-N 2 0 292.452 2.198 20 30 CEEDRP CN1CC[NH+]=C1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262673519 330025968 /nfs/dbraw/zinc/02/59/68/330025968.db2.gz SCOZYDHSHDBXFV-OCCSQVGLSA-N 2 0 292.452 2.022 20 30 CEEDRP CN(C)C(NCc1ccccc1)=[NH+]CC1([NH+](C)C)CCC1 ZINC000262770660 330030411 /nfs/dbraw/zinc/03/04/11/330030411.db2.gz IOFLPISRMOXDBE-UHFFFAOYSA-N 2 0 288.439 2.178 20 30 CEEDRP CC[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)NC1CC1 ZINC000263111265 330044130 /nfs/dbraw/zinc/04/41/30/330044130.db2.gz DRPJMBOHWBUSAM-CYBMUJFWSA-N 2 0 280.460 2.214 20 30 CEEDRP C=CC[C@H](CC)[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423094469 330169423 /nfs/dbraw/zinc/16/94/23/330169423.db2.gz BYHMVHXMMFIZGR-KBPBESRZSA-N 2 0 282.428 2.252 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000424294066 330335635 /nfs/dbraw/zinc/33/56/35/330335635.db2.gz JTCKSUWOTXGSFR-QMHWVQJVSA-N 2 0 264.413 2.040 20 30 CEEDRP C=CCOc1ccc(C[N@H+](C)CCC[NH3+])cc1OC ZINC000577280525 335334862 /nfs/dbraw/zinc/33/48/62/335334862.db2.gz WEEINMZRFGQOGG-UHFFFAOYSA-N 2 0 264.369 2.041 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000729682251 574490701 /nfs/dbraw/zinc/49/07/01/574490701.db2.gz YIYPGGPQAAGKAM-HIFRSBDPSA-N 2 0 285.391 2.304 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551587 613753685 /nfs/dbraw/zinc/75/36/85/613753685.db2.gz MTHJODTWWYXJBN-DZGCQCFKSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947502995 613793869 /nfs/dbraw/zinc/79/38/69/613793869.db2.gz XTXFUGZLGIDGTR-HIFRSBDPSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001026491719 628336497 /nfs/dbraw/zinc/33/64/97/628336497.db2.gz JUTQRDUZFPABER-UYSNPLJNSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001026503207 628339979 /nfs/dbraw/zinc/33/99/79/628339979.db2.gz NUARGSJVIREORO-GPANFISMSA-N 2 0 293.455 2.064 20 30 CEEDRP CC[C@]1(C)CCN(C(NC[C@@H](C)[N@H+](C)C2CC2)=[NH+]C)C1 ZINC000261805226 629248600 /nfs/dbraw/zinc/24/86/00/629248600.db2.gz RXMPJEPYCIRIBZ-CZUORRHYSA-N 2 0 280.460 2.167 20 30 CEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924954048 629291397 /nfs/dbraw/zinc/29/13/97/629291397.db2.gz UDOOCMAGSPMHCR-HOTGVXAUSA-N 2 0 294.487 2.178 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303253931 631079361 /nfs/dbraw/zinc/07/93/61/631079361.db2.gz DKXHVQRETFUKFW-ZNMIVQPWSA-N 2 0 282.476 2.447 20 30 CEEDRP C=CC[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000878722052 651173712 /nfs/dbraw/zinc/17/37/12/651173712.db2.gz OSNDIXFNJLPEGT-MRXNPFEDSA-N 2 0 279.472 2.443 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000900106174 633458072 /nfs/dbraw/zinc/45/80/72/633458072.db2.gz DZMVTQSQOPLMLM-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000817916967 633775893 /nfs/dbraw/zinc/77/58/93/633775893.db2.gz BVDAAGOXWMZPPD-HOCLYGCPSA-N 2 0 273.380 2.196 20 30 CEEDRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000817917058 633776213 /nfs/dbraw/zinc/77/62/13/633776213.db2.gz DQFJTSXUUFCSHJ-STQMWFEESA-N 2 0 261.369 2.367 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817920046 633778144 /nfs/dbraw/zinc/77/81/44/633778144.db2.gz ZNMGPIBJPDEDHQ-DZGCQCFKSA-N 2 0 273.380 2.382 20 30 CEEDRP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cc(C#N)ccn1 ZINC000903024120 634945988 /nfs/dbraw/zinc/94/59/88/634945988.db2.gz VHFBXZRZRMMFFY-GRTSSRMGSA-N 2 0 272.396 2.477 20 30 CEEDRP N#CC1CCC(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000903479349 635148162 /nfs/dbraw/zinc/14/81/62/635148162.db2.gz UQQJZUOWXYHKFG-IFWUJCSASA-N 2 0 289.345 2.385 20 30 CEEDRP C=CC[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769243 635259543 /nfs/dbraw/zinc/25/95/43/635259543.db2.gz AOXZSWUWIJCYSR-CABCVRRESA-N 2 0 264.413 2.043 20 30 CEEDRP C[NH2+]CCC[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000903823957 635292537 /nfs/dbraw/zinc/29/25/37/635292537.db2.gz MLQIMUXPZCWZHR-UHFFFAOYSA-N 2 0 257.381 2.347 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000912504960 638711923 /nfs/dbraw/zinc/71/19/23/638711923.db2.gz BWDCJBGRIMVMEO-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000876914199 650483513 /nfs/dbraw/zinc/48/35/13/650483513.db2.gz CAVDZMGKMINILA-KBPBESRZSA-N 2 0 295.814 2.053 20 30 CEEDRP C#CCCCCCC[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000876965546 650510579 /nfs/dbraw/zinc/51/05/79/650510579.db2.gz GDDSTVUADGUDCL-UHFFFAOYSA-N 2 0 266.429 2.007 20 30 CEEDRP COc1cccc(NC(=[NH2+])NCCC[NH+]2CCCCC2)c1 ZINC000170908563 639683861 /nfs/dbraw/zinc/68/38/61/639683861.db2.gz MCTKRHWXRYHKKN-UHFFFAOYSA-N 2 0 290.411 2.298 20 30 CEEDRP C#C[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](C#C)C2)C1 ZINC000847023254 641529767 /nfs/dbraw/zinc/52/97/67/641529767.db2.gz ZWTNDUSEVVNXME-ROUUACIJSA-N 2 0 272.436 2.457 20 30 CEEDRP C#CCCCCCCN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877670191 650842565 /nfs/dbraw/zinc/84/25/65/650842565.db2.gz IDTLWFSXUOYWHZ-QZTJIDSGSA-N 2 0 293.499 2.241 20 30 CEEDRP C=CCCCCC[C@H](C)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000854232064 644018487 /nfs/dbraw/zinc/01/84/87/644018487.db2.gz KPAAIBCWRGQSSI-LBPRGKRZSA-N 2 0 278.400 2.256 20 30 CEEDRP C#CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000764680991 645674505 /nfs/dbraw/zinc/67/45/05/645674505.db2.gz DDZXULYJMZOPEJ-UHFFFAOYSA-N 2 0 283.419 2.036 20 30 CEEDRP C#CCSCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000773009609 646695555 /nfs/dbraw/zinc/69/55/55/646695555.db2.gz CYWQZNXXGAQHMH-HZPDHXFCSA-N 2 0 298.496 2.079 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])C2 ZINC000873276640 649622006 /nfs/dbraw/zinc/62/20/06/649622006.db2.gz VOICGIQXOKIRDL-DJIMGWMZSA-N 2 0 269.392 2.133 20 30 CEEDRP C[N@@H+]1CCC[C@@H]1CCN1CCN(c2ccc(C#N)cc2)CC1 ZINC000879586523 651327706 /nfs/dbraw/zinc/32/77/06/651327706.db2.gz MWEWCZAFUQRWBP-QGZVFWFLSA-N 2 0 298.434 2.165 20 30 CEEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000883185581 652392949 /nfs/dbraw/zinc/39/29/49/652392949.db2.gz ABGIFSHEGYBNHC-HOTGVXAUSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000883433836 652468359 /nfs/dbraw/zinc/46/83/59/652468359.db2.gz ZYOACOLXBGMFEC-AEGPPILISA-N 2 0 252.402 2.169 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000883434748 652468746 /nfs/dbraw/zinc/46/87/46/652468746.db2.gz ZUBCMHPTRKEJSO-ZQDZILKHSA-N 2 0 252.402 2.169 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC001271447506 805959787 /nfs/dbraw/zinc/95/97/87/805959787.db2.gz KXALJUWZFIZHLB-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336674 806134390 /nfs/dbraw/zinc/13/43/90/806134390.db2.gz JKBXXCVCRZTJON-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001266332633 802449987 /nfs/dbraw/zinc/44/99/87/802449987.db2.gz UUSPDCSNIHXOAH-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001266400234 802530319 /nfs/dbraw/zinc/53/03/19/802530319.db2.gz DONNJXUAXZLGTA-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C#CCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000705931269 802592338 /nfs/dbraw/zinc/59/23/38/802592338.db2.gz QLGXGYXJSGZIHH-QZTJIDSGSA-N 2 0 268.404 2.464 20 30 CEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266854456 802943873 /nfs/dbraw/zinc/94/38/73/802943873.db2.gz PJCNXXWWNZQYBV-MRXNPFEDSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCN1CC[NH+]([C@H](C)CCC[NH+](CC)CC)CC1 ZINC001167826170 804386420 /nfs/dbraw/zinc/38/64/20/804386420.db2.gz NVQYPUPQLTZRHK-MRXNPFEDSA-N 2 0 267.461 2.301 20 30 CEEDRP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001268154017 804491542 /nfs/dbraw/zinc/49/15/42/804491542.db2.gz WOIOZUWMWFWWIG-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CCC[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268594840 804870394 /nfs/dbraw/zinc/87/03/94/804870394.db2.gz GDWRUQYMPICTHP-PTZVLDCSSA-N 2 0 293.455 2.089 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001171546573 815188281 /nfs/dbraw/zinc/18/82/81/815188281.db2.gz LIYDCMJKFUWVMW-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001171669060 815210488 /nfs/dbraw/zinc/21/04/88/815210488.db2.gz RLHOLVPIHOCANS-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171762592 815227021 /nfs/dbraw/zinc/22/70/21/815227021.db2.gz HKZYOGMGEJWLLI-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CC[N@H+](C)C1 ZINC001172291475 815382167 /nfs/dbraw/zinc/38/21/67/815382167.db2.gz ZCVOCYVBFVDIDF-BBRMVZONSA-N 2 0 257.381 2.031 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001085432723 810747854 /nfs/dbraw/zinc/74/78/54/810747854.db2.gz MWYDURWSCCHRET-OAGGEKHMSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001273428520 811127452 /nfs/dbraw/zinc/12/74/52/811127452.db2.gz PDWFMKAWJKSWIF-HOTGVXAUSA-N 2 0 295.471 2.119 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)ccc1C#N ZINC001206037034 812161197 /nfs/dbraw/zinc/16/11/97/812161197.db2.gz SLJULSDRKKIRHK-HIFRSBDPSA-N 2 0 287.407 2.374 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129423050 812492405 /nfs/dbraw/zinc/49/24/05/812492405.db2.gz OPERMETWIVNQIO-JKSUJKDBSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129840500 812515219 /nfs/dbraw/zinc/51/52/19/812515219.db2.gz GVSKBSLXSKYJFC-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788460 813524089 /nfs/dbraw/zinc/52/40/89/813524089.db2.gz FTFXZNAHKKHVHV-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977774 813580788 /nfs/dbraw/zinc/58/07/88/813580788.db2.gz YUORYAZPXBURNS-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP N#Cc1cc2ccc(N[C@H]([NH3+])CCC[NH3+])cc2cc1C#N ZINC001170899688 813625845 /nfs/dbraw/zinc/62/58/45/813625845.db2.gz DMILXZONYISMTB-INIZCTEOSA-N 2 0 279.347 2.019 20 30 CEEDRP N#Cc1cc2ccc(N[C@@H]([NH3+])CCC[NH3+])cc2cc1C#N ZINC001170899693 813626489 /nfs/dbraw/zinc/62/64/89/813626489.db2.gz DMILXZONYISMTB-MRXNPFEDSA-N 2 0 279.347 2.019 20 30 CEEDRP C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001246046953 813667107 /nfs/dbraw/zinc/66/71/07/813667107.db2.gz RKXCOZXIBSNRTN-ZACQAIPSSA-N 2 0 280.456 2.415 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603688 814300694 /nfs/dbraw/zinc/30/06/94/814300694.db2.gz YLMXQXNGWRVBIP-LSDHHAIUSA-N 2 0 283.460 2.166 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001115450558 814709489 /nfs/dbraw/zinc/70/94/89/814709489.db2.gz FXNDGCVCRNFEAC-HNNXBMFYSA-N 2 0 293.455 2.065 20 30 CEEDRP C[NH+](C)CCCN(CCC[NH3+])C1CCC(CC#N)CC1 ZINC001173329824 815677303 /nfs/dbraw/zinc/67/73/03/815677303.db2.gz JPVMWRZXVCTAAR-UHFFFAOYSA-N 2 0 280.460 2.061 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001175263422 816164682 /nfs/dbraw/zinc/16/46/82/816164682.db2.gz POSUYMOZMPMHSG-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175565082 816235732 /nfs/dbraw/zinc/23/57/32/816235732.db2.gz GXPNJQXUPWYDLI-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001178833027 816799823 /nfs/dbraw/zinc/79/98/23/816799823.db2.gz NEEIEPOXPCPIRB-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001178902267 816812526 /nfs/dbraw/zinc/81/25/26/816812526.db2.gz IFKMVUCATDEYGK-HOCLYGCPSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000079917701 343994040 /nfs/dbraw/zinc/99/40/40/343994040.db2.gz JTHOWASJVRMCEV-MRXNPFEDSA-N 2 0 288.439 2.008 20 30 CEEDRP C=C(C)[C@@H](CO)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000677047889 539183130 /nfs/dbraw/zinc/18/31/30/539183130.db2.gz JAGQGRNBSDRMDD-ZWKOTPCHSA-N 2 0 288.435 2.377 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000042393535 362090952 /nfs/dbraw/zinc/09/09/52/362090952.db2.gz RATLINNNFCUTCD-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)CC1 ZINC000602481129 347052848 /nfs/dbraw/zinc/05/28/48/347052848.db2.gz FICIDSXTRMFGJG-DLBZAZTESA-N 2 0 292.471 2.027 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000602516400 347064471 /nfs/dbraw/zinc/06/44/71/347064471.db2.gz KQKQXHRFHQGHHD-OWCLPIDISA-N 2 0 291.439 2.302 20 30 CEEDRP CC[C@H](CC#N)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000054183360 362517678 /nfs/dbraw/zinc/51/76/78/362517678.db2.gz XSXMOSJKZJKQAA-CYBMUJFWSA-N 2 0 258.369 2.332 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579985 345266835 /nfs/dbraw/zinc/26/68/35/345266835.db2.gz DFXWUUXPOVZLLB-XHDPSFHLSA-N 2 0 273.355 2.490 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC1(C[NH3+])CC1)CC2 ZINC000593318758 345466092 /nfs/dbraw/zinc/46/60/92/345466092.db2.gz HCVCYGVGXOIHFA-HNNXBMFYSA-N 2 0 255.365 2.264 20 30 CEEDRP C[NH+](C)CC1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602581113 347088098 /nfs/dbraw/zinc/08/80/98/347088098.db2.gz HJLWEVQLNNSZOC-UHFFFAOYSA-N 2 0 272.396 2.163 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCCC1 ZINC000602593893 347092444 /nfs/dbraw/zinc/09/24/44/347092444.db2.gz QDJSLFNDWMPVAZ-OAHLLOKOSA-N 2 0 279.428 2.161 20 30 CEEDRP C=CC(C)(C)CC[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000600700851 346673526 /nfs/dbraw/zinc/67/35/26/346673526.db2.gz FJKSDDKBWPLDIY-CQSZACIVSA-N 2 0 296.455 2.500 20 30 CEEDRP Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1C#N ZINC000600709244 346674937 /nfs/dbraw/zinc/67/49/37/346674937.db2.gz HFBRSOILMJTESV-HNNXBMFYSA-N 2 0 257.381 2.344 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000602876809 347234791 /nfs/dbraw/zinc/23/47/91/347234791.db2.gz BFYGSSMDODYQMK-UHFFFAOYSA-N 2 0 269.392 2.476 20 30 CEEDRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(C#N)c1 ZINC000271887290 191390514 /nfs/dbraw/zinc/39/05/14/191390514.db2.gz QZPUQQATVWBPEG-CYBMUJFWSA-N 2 0 255.365 2.471 20 30 CEEDRP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CO1 ZINC000577848832 366406186 /nfs/dbraw/zinc/40/61/86/366406186.db2.gz HZFYHIVIHVVQBF-KSSFIOAISA-N 2 0 299.418 2.290 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](C(C)C)CC2)CC1 ZINC000153043945 366725484 /nfs/dbraw/zinc/72/54/84/366725484.db2.gz GCJFETXRUDMJGM-UHFFFAOYSA-N 2 0 279.472 2.489 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000579953581 366729215 /nfs/dbraw/zinc/72/92/15/366729215.db2.gz USGYKRPCNRJIBJ-CJNGLKHVSA-N 2 0 257.381 2.230 20 30 CEEDRP CC1CC[NH+](Cc2cccc(CNC(=[NH2+])N(C)C)c2)CC1 ZINC000170912131 367446720 /nfs/dbraw/zinc/44/67/20/367446720.db2.gz NJFALDISINPQCH-UHFFFAOYSA-N 2 0 288.439 2.295 20 30 CEEDRP CC(C)CNC(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911746 367446995 /nfs/dbraw/zinc/44/69/95/367446995.db2.gz YXGTZZOGHUCNDA-UHFFFAOYSA-N 2 0 288.439 2.343 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000343572300 367891333 /nfs/dbraw/zinc/89/13/33/367891333.db2.gz MRHXJBNFIDSSQQ-DLBZAZTESA-N 2 0 269.392 2.317 20 30 CEEDRP N#Cc1ccc(OCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246354346 370949085 /nfs/dbraw/zinc/94/90/85/370949085.db2.gz HYPURKMMCYWRQX-CVEARBPZSA-N 2 0 285.391 2.153 20 30 CEEDRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202746 370949817 /nfs/dbraw/zinc/94/98/17/370949817.db2.gz NAAUCACVQRJVIY-CXAGYDPISA-N 2 0 285.391 2.009 20 30 CEEDRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202747 370950040 /nfs/dbraw/zinc/95/00/40/370950040.db2.gz NAAUCACVQRJVIY-DYVFJYSZSA-N 2 0 285.391 2.009 20 30 CEEDRP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000348049677 368874513 /nfs/dbraw/zinc/87/45/13/368874513.db2.gz JAKRZIZBIZMBMN-LSDHHAIUSA-N 2 0 254.418 2.384 20 30 CEEDRP CC[NH+](CC)C[C@H]1CC[N@H+](CCCSCC#N)C1 ZINC000173902382 261173896 /nfs/dbraw/zinc/17/38/96/261173896.db2.gz BRSMTYOVYQLOGX-CQSZACIVSA-N 2 0 269.458 2.297 20 30 CEEDRP N#Cc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360929504 371547715 /nfs/dbraw/zinc/54/77/15/371547715.db2.gz XNLRCOAVYSCKBI-FGTMMUONSA-N 2 0 281.403 2.474 20 30 CEEDRP N#Cc1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360929505 371548659 /nfs/dbraw/zinc/54/86/59/371548659.db2.gz XNLRCOAVYSCKBI-KURKYZTESA-N 2 0 281.403 2.474 20 30 CEEDRP C[NH+]=C(NCCC[NH+]1CCC(C)CC1)NCc1ccco1 ZINC000264055975 371957558 /nfs/dbraw/zinc/95/75/58/371957558.db2.gz OAMFTRYATDRDDZ-UHFFFAOYSA-N 2 0 292.427 2.067 20 30 CEEDRP C[NH+]=C(NCCC[N@@H+]1CCCC[C@@H]1C)NCc1ccco1 ZINC000264079473 371965276 /nfs/dbraw/zinc/96/52/76/371965276.db2.gz UFOLBGLSVQMRPS-AWEZNQCLSA-N 2 0 292.427 2.209 20 30 CEEDRP CNC(=[NH2+])NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000264122928 371974551 /nfs/dbraw/zinc/97/45/51/371974551.db2.gz VOZBTJXPPGZCDO-UHFFFAOYSA-N 2 0 274.412 2.097 20 30 CEEDRP C=CCC[NH+](C)CC1(C[N@H+](C)CCC=C)COC1 ZINC000276523436 374233947 /nfs/dbraw/zinc/23/39/47/374233947.db2.gz YZGRRQHGXGYBFN-UHFFFAOYSA-N 2 0 252.402 2.019 20 30 CEEDRP CCNC(=[NH2+])NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290452053 376783228 /nfs/dbraw/zinc/78/32/28/376783228.db2.gz CRNGLYINIDJJGD-INIZCTEOSA-N 2 0 288.439 2.213 20 30 CEEDRP CCNC(=[NH2+])NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000290452057 376783250 /nfs/dbraw/zinc/78/32/50/376783250.db2.gz CRNGLYINIDJJGD-MRXNPFEDSA-N 2 0 288.439 2.213 20 30 CEEDRP C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(C#N)c3)C2)C1 ZINC000292823529 377298653 /nfs/dbraw/zinc/29/86/53/377298653.db2.gz ABYHSGJILLSTHH-KRWDZBQOSA-N 2 0 269.392 2.476 20 30 CEEDRP C=CC[N@@H+](C[C@H](O)CN(C)CC)CC1CCCCC1 ZINC000566686343 377765600 /nfs/dbraw/zinc/76/56/00/377765600.db2.gz KFRVMCANUZYYNB-MRXNPFEDSA-N 2 0 268.445 2.367 20 30 CEEDRP C=C(C)CN1CCC([NH2+]CC(C)(C)COC)CC1 ZINC000494068855 381153777 /nfs/dbraw/zinc/15/37/77/381153777.db2.gz KXUCXTFTVSQHFW-UHFFFAOYSA-N 2 0 254.418 2.289 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000231799184 394480378 /nfs/dbraw/zinc/48/03/78/394480378.db2.gz GVLISLBGNIXUCU-KFWWJZLASA-N 2 0 252.402 2.089 20 30 CEEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)N(C)C ZINC000262528874 394619453 /nfs/dbraw/zinc/61/94/53/394619453.db2.gz MHXBGDHIPHCWGP-INIZCTEOSA-N 2 0 288.439 2.130 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181488270 395216403 /nfs/dbraw/zinc/21/64/03/395216403.db2.gz NICXPOZJZYTREX-CQSZACIVSA-N 2 0 275.396 2.177 20 30 CEEDRP C=CCOCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921951 395276965 /nfs/dbraw/zinc/27/69/65/395276965.db2.gz MOMMKSHTBRJQKP-YIONKMFJSA-N 2 0 252.402 2.136 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](CCC)CC1 ZINC000449548929 395554154 /nfs/dbraw/zinc/55/41/54/395554154.db2.gz SEBRTFMLKFQUPY-CABCVRRESA-N 2 0 252.402 2.184 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000651750324 401383413 /nfs/dbraw/zinc/38/34/13/401383413.db2.gz CWIWYCIGGQCYPF-IRXDYDNUSA-N 2 0 279.472 2.348 20 30 CEEDRP C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000037748822 173671050 /nfs/dbraw/zinc/67/10/50/173671050.db2.gz PXHFWWULHXAAJT-ZDUSSCGKSA-N 2 0 257.381 2.378 20 30 CEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657454185 414947449 /nfs/dbraw/zinc/94/74/49/414947449.db2.gz FJZUZYIWZORRAU-RHSMWYFYSA-N 2 0 298.390 2.338 20 30 CEEDRP C=CC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)COC ZINC000662299416 415760947 /nfs/dbraw/zinc/76/09/47/415760947.db2.gz PHJANLTZALTPPW-ZBFHGGJFSA-N 2 0 292.423 2.260 20 30 CEEDRP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313022 415772277 /nfs/dbraw/zinc/77/22/77/415772277.db2.gz GBQHKUMYKKNZGT-HZPDHXFCSA-N 2 0 293.455 2.026 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000333631384 228207604 /nfs/dbraw/zinc/20/76/04/228207604.db2.gz AYCBYKDHCWRIOR-MSOLQXFVSA-N 2 0 299.418 2.277 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)CC1 ZINC000366691514 263132428 /nfs/dbraw/zinc/13/24/28/263132428.db2.gz BSBROURUULZYLB-NXOAAHMSSA-N 2 0 289.423 2.078 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415042254 263257271 /nfs/dbraw/zinc/25/72/71/263257271.db2.gz QOAUFPVDFIHTHO-UKRRQHHQSA-N 2 0 260.381 2.468 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)CC1 ZINC000378450703 329050630 /nfs/dbraw/zinc/05/06/30/329050630.db2.gz CNWUAIUDQQZABH-HZMVEIRTSA-N 2 0 291.439 2.158 20 30 CEEDRP CC[NH+]=C(NCC1(C)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262420384 330009296 /nfs/dbraw/zinc/00/92/96/330009296.db2.gz QWNIFSKRLJASBZ-OAHLLOKOSA-N 2 0 292.471 2.170 20 30 CEEDRP CN(C)C(=[NH+]CC1([NH+](C)C)CCCCCC1)N(C)C ZINC000263248611 330050722 /nfs/dbraw/zinc/05/07/22/330050722.db2.gz NYIDQGHFJLOHPD-UHFFFAOYSA-N 2 0 268.449 2.120 20 30 CEEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCSCC2)CCCCCC1 ZINC000263262418 330051069 /nfs/dbraw/zinc/05/10/69/330051069.db2.gz SZSNIGJBUYYMGJ-UHFFFAOYSA-N 2 0 298.500 2.005 20 30 CEEDRP C=CC[NH+]1CCC(N[C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000422860711 330157891 /nfs/dbraw/zinc/15/78/91/330157891.db2.gz MTGIENDYWYLTTG-MAUKXSAKSA-N 2 0 287.451 2.185 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000423093307 330169596 /nfs/dbraw/zinc/16/95/96/330169596.db2.gz GYJDMWZTUYNRPT-TUVASFSCSA-N 2 0 252.402 2.217 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000423095648 330169811 /nfs/dbraw/zinc/16/98/11/330169811.db2.gz MUMPYMAWAQGYPD-XGUBFFRZSA-N 2 0 252.402 2.088 20 30 CEEDRP C=C(C)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000154013774 330651051 /nfs/dbraw/zinc/65/10/51/330651051.db2.gz SZFFAIFRKVDZHR-HOTGVXAUSA-N 2 0 265.445 2.053 20 30 CEEDRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000442793721 330784116 /nfs/dbraw/zinc/78/41/16/330784116.db2.gz OLKVOHUXCXERTF-LVQVYYBASA-N 2 0 279.428 2.158 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000728711938 574468709 /nfs/dbraw/zinc/46/87/09/574468709.db2.gz RBCVMOBDQFMYPE-ZBFHGGJFSA-N 2 0 287.407 2.409 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC000947615813 613740261 /nfs/dbraw/zinc/74/02/61/613740261.db2.gz LJSCMRKTCYQMJS-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@H]1C ZINC000947502996 613755766 /nfs/dbraw/zinc/75/57/66/613755766.db2.gz XTXFUGZLGIDGTR-UKRRQHHQSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[C@@H]1CC[NH+]1CC1(C[N@H+]2CC[C@H]2CC=C)COC1 ZINC000934462680 624509679 /nfs/dbraw/zinc/50/96/79/624509679.db2.gz ZZKNHYQPZZQXKL-HZPDHXFCSA-N 2 0 276.424 2.304 20 30 CEEDRP CCCCCCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000311398051 627651636 /nfs/dbraw/zinc/65/16/36/627651636.db2.gz ABURGBBPGKCUTH-MRXNPFEDSA-N 2 0 267.461 2.326 20 30 CEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H]1CC[N@H+](C)C1 ZINC000104172195 628680634 /nfs/dbraw/zinc/68/06/34/628680634.db2.gz WFFXYQSVXVGSEJ-UONOGXRCSA-N 2 0 268.449 2.057 20 30 CEEDRP CC(C)CNC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000104178945 628695129 /nfs/dbraw/zinc/69/51/29/628695129.db2.gz RVLRRPPADMVOOS-ZDUSSCGKSA-N 2 0 268.449 2.057 20 30 CEEDRP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000925815141 628871000 /nfs/dbraw/zinc/87/10/00/628871000.db2.gz UCYSJYWSNRPJKE-GZBFAFLISA-N 2 0 273.355 2.175 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843688 628946179 /nfs/dbraw/zinc/94/61/79/628946179.db2.gz GXOFTYASIXHFHL-CVEARBPZSA-N 2 0 267.461 2.252 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261695342 629088858 /nfs/dbraw/zinc/08/88/58/629088858.db2.gz BUKOWGVKUKOAEZ-CHWSQXEVSA-N 2 0 268.449 2.200 20 30 CEEDRP C[C@@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000261972325 629406779 /nfs/dbraw/zinc/40/67/79/629406779.db2.gz DRULYSZGLHZVTI-ILXRZTDVSA-N 2 0 280.460 2.296 20 30 CEEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NC(C)(C)C)C1 ZINC000262026699 629450409 /nfs/dbraw/zinc/45/04/09/629450409.db2.gz ZNRYTRDJHIGCNB-GFCCVEGCSA-N 2 0 268.449 2.200 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000986462094 631244580 /nfs/dbraw/zinc/24/45/80/631244580.db2.gz HXTMRFOXKARBDO-XJKSGUPXSA-N 2 0 298.390 2.021 20 30 CEEDRP CC(C)[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)N1CC[NH+](C)CC1 ZINC000924634507 632368888 /nfs/dbraw/zinc/36/88/88/632368888.db2.gz YNXHUFFGCDJBED-HOTGVXAUSA-N 2 0 294.487 2.176 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1C#N ZINC000817915034 633774955 /nfs/dbraw/zinc/77/49/55/633774955.db2.gz GYBYSYUWLUHVHW-IUODEOHRSA-N 2 0 273.380 2.045 20 30 CEEDRP N#CCOc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000817917810 633776610 /nfs/dbraw/zinc/77/66/10/633776610.db2.gz HYFKXTWRPZAYDG-UHFFFAOYSA-N 2 0 273.380 2.196 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000817945489 633792090 /nfs/dbraw/zinc/79/20/90/633792090.db2.gz DWGJAEPIXDAVLQ-CABCVRRESA-N 2 0 272.392 2.349 20 30 CEEDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000903422863 635123116 /nfs/dbraw/zinc/12/31/16/635123116.db2.gz KKGJJMAGWKXKKA-AWEZNQCLSA-N 2 0 257.381 2.216 20 30 CEEDRP C=CC[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903765681 635258551 /nfs/dbraw/zinc/25/85/51/635258551.db2.gz KAEYMSAXTYNTQJ-HOTGVXAUSA-N 2 0 278.440 2.433 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903964533 635398991 /nfs/dbraw/zinc/39/89/91/635398991.db2.gz KRDLDPKRJGEUHB-HIFRSBDPSA-N 2 0 290.407 2.205 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000876766377 650425741 /nfs/dbraw/zinc/42/57/41/650425741.db2.gz IVHLMTYJYOYGDT-ZDUSSCGKSA-N 2 0 295.814 2.465 20 30 CEEDRP C=CCNC(NC[C@H]1CC[N@@H+](CCC)C1)=[NH+]C(C)(C)C ZINC000912497565 638720090 /nfs/dbraw/zinc/72/00/90/638720090.db2.gz VGCNRKBKEVJDQJ-CQSZACIVSA-N 2 0 280.460 2.238 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@H]1CC[NH+](C)C ZINC000912649299 638753576 /nfs/dbraw/zinc/75/35/76/638753576.db2.gz SAXFVZGBSWGPDY-HOTGVXAUSA-N 2 0 295.471 2.216 20 30 CEEDRP C(C[NH+]1CCCCC1)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848402811 641978554 /nfs/dbraw/zinc/97/85/54/641978554.db2.gz IEWDFVGJKBLHHC-INIZCTEOSA-N 2 0 278.444 2.066 20 30 CEEDRP CCCCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708572 643519991 /nfs/dbraw/zinc/51/99/91/643519991.db2.gz FEZCCKDTUZIDQO-MRXNPFEDSA-N 2 0 268.445 2.488 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C#N)o1)CC2 ZINC000877683931 650848806 /nfs/dbraw/zinc/84/88/06/650848806.db2.gz BZFPMMZLIXFECW-UHFFFAOYSA-N 2 0 273.380 2.459 20 30 CEEDRP CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000923335078 643666967 /nfs/dbraw/zinc/66/69/67/643666967.db2.gz IIHIHEDLTPKBIL-IAGOWNOFSA-N 2 0 287.407 2.056 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000923358797 643677412 /nfs/dbraw/zinc/67/74/12/643677412.db2.gz KOHQZIISLSAEJX-JYJNAYRXSA-N 2 0 266.429 2.025 20 30 CEEDRP C#CC[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000862442718 646461377 /nfs/dbraw/zinc/46/13/77/646461377.db2.gz GGKDNCYWLFKZJP-INIZCTEOSA-N 2 0 286.419 2.472 20 30 CEEDRP C=CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000786577721 648028544 /nfs/dbraw/zinc/02/85/44/648028544.db2.gz FESQQPGPONGKSW-UHFFFAOYSA-N 2 0 273.424 2.446 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000873291896 649629400 /nfs/dbraw/zinc/62/94/00/649629400.db2.gz NMOLLNDQNSCSKB-HOTGVXAUSA-N 2 0 278.440 2.480 20 30 CEEDRP C#CCCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878324329 651067689 /nfs/dbraw/zinc/06/76/89/651067689.db2.gz LDFFICHYIFAENZ-QZTJIDSGSA-N 2 0 291.483 2.138 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000883188014 652393499 /nfs/dbraw/zinc/39/34/99/652393499.db2.gz BFBHCIYWWQDQJB-HRCADAONSA-N 2 0 266.429 2.432 20 30 CEEDRP C=C(C)C[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000883390165 652452635 /nfs/dbraw/zinc/45/26/35/652452635.db2.gz HALRSJFVLVKKLU-AWEZNQCLSA-N 2 0 254.418 2.166 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271665444 806016002 /nfs/dbraw/zinc/01/60/02/806016002.db2.gz LCAFOKKRQAYMAA-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088334707 806131167 /nfs/dbraw/zinc/13/11/67/806131167.db2.gz NUFPVCCHTIJBDW-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001266621417 802789201 /nfs/dbraw/zinc/78/92/01/802789201.db2.gz DLWHKNZDIDCCMR-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449419 811754406 /nfs/dbraw/zinc/75/44/06/811754406.db2.gz DKHIRJVNRZDURM-QGZVFWFLSA-N 2 0 298.390 2.105 20 30 CEEDRP C[NH+](C)C1(C)CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000715554106 814979342 /nfs/dbraw/zinc/97/93/42/814979342.db2.gz VIZCQVOVVYOUEF-UHFFFAOYSA-N 2 0 278.425 2.367 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001027918147 804341553 /nfs/dbraw/zinc/34/15/53/804341553.db2.gz KQUPUYDNVNKYPO-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@H]1CC ZINC001269184003 805072801 /nfs/dbraw/zinc/07/28/01/805072801.db2.gz XGCUXIKAIIVLRC-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001270255144 805383222 /nfs/dbraw/zinc/38/32/22/805383222.db2.gz DOLILFGLUXANRL-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP SCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971556 805499446 /nfs/dbraw/zinc/49/94/46/805499446.db2.gz YIRHFZVENLGTEA-AGUYFDCRSA-N 2 0 254.443 2.301 20 30 CEEDRP C=CCC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001284070644 807063243 /nfs/dbraw/zinc/06/32/43/807063243.db2.gz JNXVZIPOIFARHU-RDJZCZTQSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716635987 815137237 /nfs/dbraw/zinc/13/72/37/815137237.db2.gz HSYOPFHAGZZDMC-MLHJIOFPSA-N 2 0 286.419 2.176 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001120147335 815200907 /nfs/dbraw/zinc/20/09/07/815200907.db2.gz LWCLFLQMUWIVEC-UHFFFAOYSA-N 2 0 293.455 2.067 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001172108532 815298690 /nfs/dbraw/zinc/29/86/90/815298690.db2.gz XITZUYWKLREORR-MUJYYYPQSA-N 2 0 282.391 2.279 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1ccc(C#N)nc1)C2 ZINC001172112167 815301539 /nfs/dbraw/zinc/30/15/39/815301539.db2.gz SXFQJBVIAHJQKZ-PHZGNYQRSA-N 2 0 270.380 2.058 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168756245 809661110 /nfs/dbraw/zinc/66/11/10/809661110.db2.gz XHMAAHJUVPZCNR-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015033106 810255277 /nfs/dbraw/zinc/25/52/77/810255277.db2.gz NPAYSWOEFCAJAS-CQSZACIVSA-N 2 0 298.390 2.023 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC001172292974 815383898 /nfs/dbraw/zinc/38/38/98/815383898.db2.gz SHXAKHOCTUKYRZ-AWEZNQCLSA-N 2 0 271.408 2.421 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001039051683 810975476 /nfs/dbraw/zinc/97/54/76/810975476.db2.gz XTHCXZPZQGLPDK-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H](C)C1 ZINC001044656099 811519927 /nfs/dbraw/zinc/51/99/27/811519927.db2.gz ASLPTCQPKDNYNV-DZGCQCFKSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016468 811984571 /nfs/dbraw/zinc/98/45/71/811984571.db2.gz POSPCICUCVILKO-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C[N@@H+](Cc1cc(C#N)ccc1F)CC1CC[NH+](C)CC1 ZINC000063120757 812335584 /nfs/dbraw/zinc/33/55/84/812335584.db2.gz OWRSEEAYVULRAD-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[C@H]1C ZINC001132111726 812790109 /nfs/dbraw/zinc/79/01/09/812790109.db2.gz WVQSJASKKMZOJH-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377741 812838531 /nfs/dbraw/zinc/83/85/31/812838531.db2.gz ZUVWHLDLQZMZQD-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134762996 813321835 /nfs/dbraw/zinc/32/18/35/813321835.db2.gz JWEUXNDZHALQTC-JKSUJKDBSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134772904 813323378 /nfs/dbraw/zinc/32/33/78/813323378.db2.gz IYWFVKNPIPLTLY-ZIAGYGMSSA-N 2 0 283.460 2.166 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135317336 813407806 /nfs/dbraw/zinc/40/78/06/813407806.db2.gz XSCIQFREFOVFFU-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135477668 813446172 /nfs/dbraw/zinc/44/61/72/813446172.db2.gz VVNXLZGOZNWNJD-ZIAGYGMSSA-N 2 0 283.460 2.023 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823633 813533111 /nfs/dbraw/zinc/53/31/11/813533111.db2.gz DQYSAUMYAZIFAC-HUUCEWRRSA-N 2 0 295.471 2.166 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135966446 813574567 /nfs/dbraw/zinc/57/45/67/813574567.db2.gz OPLNNDVHPHHQMD-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C#Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cc1 ZINC001144569101 814118190 /nfs/dbraw/zinc/11/81/90/814118190.db2.gz JIJNSJQCUKVPPJ-SJORKVTESA-N 2 0 254.377 2.051 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171360174 814660143 /nfs/dbraw/zinc/66/01/43/814660143.db2.gz XKUBQPUPDBJIKP-CVEARBPZSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115593241 814725438 /nfs/dbraw/zinc/72/54/38/814725438.db2.gz DTJHJWFENZKZIQ-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(C#N)c1 ZINC001137704329 815667841 /nfs/dbraw/zinc/66/78/41/815667841.db2.gz AGHVZJPNKURSCZ-UHFFFAOYSA-N 2 0 299.418 2.485 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(C)(C)C#N ZINC000345734979 282215209 /nfs/dbraw/zinc/21/52/09/282215209.db2.gz ZJMGHFZTVICMAD-KFWWJZLASA-N 2 0 279.428 2.110 20 30 CEEDRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])Nc1ccccn1 ZINC000170903774 344492608 /nfs/dbraw/zinc/49/26/08/344492608.db2.gz BDBNQAWBZSXBOE-CQSZACIVSA-N 2 0 289.427 2.463 20 30 CEEDRP C[C@H](CCC#N)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000602486725 347056262 /nfs/dbraw/zinc/05/62/62/347056262.db2.gz OYSSRKVKQLFDIL-LVQVYYBASA-N 2 0 279.428 2.110 20 30 CEEDRP [NH2+]=C(NCC[NH+]1CCCCC1)Nc1cc(F)ccc1F ZINC000288651707 344681321 /nfs/dbraw/zinc/68/13/21/344681321.db2.gz FFNYJHFSXQERDE-UHFFFAOYSA-N 2 0 282.338 2.177 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000591575922 345265411 /nfs/dbraw/zinc/26/54/11/345265411.db2.gz ZZXOEDIVJLMPNI-INIZCTEOSA-N 2 0 255.365 2.277 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000593736974 345529982 /nfs/dbraw/zinc/52/99/82/345529982.db2.gz PKIUGQVGLJUBGC-KSZLIROESA-N 2 0 299.418 2.277 20 30 CEEDRP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594584682 345651957 /nfs/dbraw/zinc/65/19/57/345651957.db2.gz BLSQNLXGTHJZSL-MRXNPFEDSA-N 2 0 287.407 2.281 20 30 CEEDRP CC(C)(CC#N)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594943562 345712081 /nfs/dbraw/zinc/71/20/81/345712081.db2.gz CWHHOLXKAAKMOG-UHFFFAOYSA-N 2 0 269.352 2.297 20 30 CEEDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889646 345907120 /nfs/dbraw/zinc/90/71/20/345907120.db2.gz AQWYQRFXEHZOIQ-XJKSGUPXSA-N 2 0 257.381 2.160 20 30 CEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598699644 346403085 /nfs/dbraw/zinc/40/30/85/346403085.db2.gz HFRCMRSJYISLJP-BZUAXINKSA-N 2 0 295.471 2.245 20 30 CEEDRP C[NH+](C)Cc1cccc(C[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602594208 347092454 /nfs/dbraw/zinc/09/24/54/347092454.db2.gz VCDYIFJDBRZZND-UHFFFAOYSA-N 2 0 280.375 2.305 20 30 CEEDRP N#Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000600768308 346686581 /nfs/dbraw/zinc/68/65/81/346686581.db2.gz HMIWTWKHCKLLQR-SWLSCSKDSA-N 2 0 259.353 2.115 20 30 CEEDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000618577557 348981240 /nfs/dbraw/zinc/98/12/40/348981240.db2.gz LVNURASLGCFDOX-QGZVFWFLSA-N 2 0 287.407 2.103 20 30 CEEDRP C=CCCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560535 351414678 /nfs/dbraw/zinc/41/46/78/351414678.db2.gz FOGJBVBLNYRCDX-QWRGUYRKSA-N 2 0 250.308 2.412 20 30 CEEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000337288401 366127303 /nfs/dbraw/zinc/12/73/03/366127303.db2.gz AZZMWIZFHXXDOK-UHFFFAOYSA-N 2 0 265.445 2.053 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](CCC)CC2)CC1 ZINC000152930645 366721459 /nfs/dbraw/zinc/72/14/59/366721459.db2.gz OHPXFLOJJWJMRM-UHFFFAOYSA-N 2 0 279.472 2.491 20 30 CEEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000336121176 365438567 /nfs/dbraw/zinc/43/85/67/365438567.db2.gz UAMLDEZHCXQLRL-JKSUJKDBSA-N 2 0 261.413 2.486 20 30 CEEDRP C[C@@H]([NH2+]CC#CC[NH2+][C@@H](C)c1cccnc1)c1cccnc1 ZINC000276344075 193293927 /nfs/dbraw/zinc/29/39/27/193293927.db2.gz URKAAIFZABEQOS-IYBDPMFKSA-N 2 0 294.402 2.481 20 30 CEEDRP CC#CCC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000360454577 371514786 /nfs/dbraw/zinc/51/47/86/371514786.db2.gz JQTKPELOCKJVNT-UHFFFAOYSA-N 2 0 266.429 2.223 20 30 CEEDRP CCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264077833 371962875 /nfs/dbraw/zinc/96/28/75/371962875.db2.gz HXDYJAVGMRDMOY-UHFFFAOYSA-N 2 0 274.412 2.097 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264090210 371967541 /nfs/dbraw/zinc/96/75/41/371967541.db2.gz KQDGGIGTNIFJSJ-OAHLLOKOSA-N 2 0 274.412 2.460 20 30 CEEDRP C=CCNC(=[NH2+])NCc1ccc(C[NH+](CC)CC)cc1 ZINC000264102081 371970373 /nfs/dbraw/zinc/97/03/73/371970373.db2.gz NCEAALKBKOMNJN-UHFFFAOYSA-N 2 0 274.412 2.119 20 30 CEEDRP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000264133261 371975679 /nfs/dbraw/zinc/97/56/79/371975679.db2.gz YQYQTQZRGJONNB-ZDUSSCGKSA-N 2 0 274.412 2.488 20 30 CEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367204955 373141647 /nfs/dbraw/zinc/14/16/47/373141647.db2.gz FTDXCODLICDYCF-MOTUXRJWSA-N 2 0 264.413 2.182 20 30 CEEDRP C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCC)CC1 ZINC000436303697 377822761 /nfs/dbraw/zinc/82/27/61/377822761.db2.gz CHFBSPITKHSOHE-GDBMZVCRSA-N 2 0 266.429 2.432 20 30 CEEDRP C[N@@H+]1CC[C@H]2CCN(Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398310 380355025 /nfs/dbraw/zinc/35/50/25/380355025.db2.gz LXWFDCNRVOPZSD-GXTWGEPZSA-N 2 0 261.394 2.146 20 30 CEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000268964451 394704930 /nfs/dbraw/zinc/70/49/30/394704930.db2.gz KLDDRUZQIVDUCY-QZTJIDSGSA-N 2 0 299.418 2.026 20 30 CEEDRP C[C@@H]1CCNC[C@@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422989493 394875266 /nfs/dbraw/zinc/87/52/66/394875266.db2.gz LYXBTTHDGJDLNE-CJNGLKHVSA-N 2 0 289.448 2.379 20 30 CEEDRP CNC(NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1)=[NH+]C ZINC000363585593 394880923 /nfs/dbraw/zinc/88/09/23/394880923.db2.gz JQDHGNIEFZQZSV-GXTWGEPZSA-N 2 0 294.830 2.128 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362309843 394852557 /nfs/dbraw/zinc/85/25/57/394852557.db2.gz NYKBQXMUQWFGOI-YESZJQIVSA-N 2 0 296.455 2.058 20 30 CEEDRP C=CCN1CCC([NH2+]Cc2ccc(C#N)c(OC)c2)CC1 ZINC000281822946 394858091 /nfs/dbraw/zinc/85/80/91/394858091.db2.gz XAOULFKKBOBVTJ-UHFFFAOYSA-N 2 0 285.391 2.307 20 30 CEEDRP C=CCOCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338954346 394934072 /nfs/dbraw/zinc/93/40/72/394934072.db2.gz NUEDAZPPZSYJTA-HOTGVXAUSA-N 2 0 296.455 2.010 20 30 CEEDRP C=CCOCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000338999679 394935689 /nfs/dbraw/zinc/93/56/89/394935689.db2.gz FXKTWCNZAGFOED-OAHLLOKOSA-N 2 0 252.402 2.139 20 30 CEEDRP C[C@H]1CC[N@H+](CCCSCC#N)C[C@@H]1n1ccnc1 ZINC000136083868 394969274 /nfs/dbraw/zinc/96/92/74/394969274.db2.gz TXTCJIAOXDORRU-KBPBESRZSA-N 2 0 278.425 2.413 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCC(C)(C)C#N ZINC000374421772 395081708 /nfs/dbraw/zinc/08/17/08/395081708.db2.gz PLGOLLANCHKGLF-OAGGEKHMSA-N 2 0 293.455 2.500 20 30 CEEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc3c2CCCC3)C1 ZINC000178421883 395167183 /nfs/dbraw/zinc/16/71/83/395167183.db2.gz NPXZJRVCCLLIQG-CYBMUJFWSA-N 2 0 286.423 2.244 20 30 CEEDRP N#CC1(F)CCN(CCC[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000352492191 395260424 /nfs/dbraw/zinc/26/04/24/395260424.db2.gz WOWKRTSZLCEHPF-UHFFFAOYSA-N 2 0 296.365 2.032 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248622 395455904 /nfs/dbraw/zinc/45/59/04/395455904.db2.gz NKZVEXXQUHGAPY-GOSISDBHSA-N 2 0 299.418 2.149 20 30 CEEDRP C=CCCCCC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000150890770 400281347 /nfs/dbraw/zinc/28/13/47/400281347.db2.gz KGYYUGNQVGETOO-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CCC[NH3+])COC ZINC000665229901 415632340 /nfs/dbraw/zinc/63/23/40/415632340.db2.gz GCODKTXIXQRCPP-ILXRZTDVSA-N 2 0 254.418 2.465 20 30 CEEDRP C=CC[C@@]1(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000662746293 415952560 /nfs/dbraw/zinc/95/25/60/415952560.db2.gz RXNFBTZCOUFVPE-RDJZCZTQSA-N 2 0 293.455 2.018 20 30 CEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288634276 263105271 /nfs/dbraw/zinc/10/52/71/263105271.db2.gz BMUBRGFNHJHSCZ-JTQLQIEISA-N 2 0 282.338 2.033 20 30 CEEDRP CC[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000423105563 267222231 /nfs/dbraw/zinc/22/22/31/267222231.db2.gz QTZUPIRHUBHXQU-HOTGVXAUSA-N 2 0 257.381 2.221 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370161401 267295985 /nfs/dbraw/zinc/29/59/85/267295985.db2.gz KFTWPDFXTVEBNL-OCCSQVGLSA-N 2 0 292.452 2.431 20 30 CEEDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(C)(C)C#N)C2)CC1 ZINC000371199090 267369368 /nfs/dbraw/zinc/36/93/68/267369368.db2.gz QZAMRGJWMPNGEE-MRXNPFEDSA-N 2 0 292.471 2.027 20 30 CEEDRP COCC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC[NH2+]CC1 ZINC000423411982 267437273 /nfs/dbraw/zinc/43/72/73/267437273.db2.gz VXRZJTBSQHXDOC-KRWDZBQOSA-N 2 0 299.418 2.151 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423534813 270922935 /nfs/dbraw/zinc/92/29/35/270922935.db2.gz AYBHPZCEABCZOX-KRWDZBQOSA-N 2 0 267.376 2.445 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105670 277069477 /nfs/dbraw/zinc/06/94/77/277069477.db2.gz LFPKFRHZQFGNDE-SJORKVTESA-N 2 0 269.392 2.474 20 30 CEEDRP CSC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC[NH+](C)CC1 ZINC000353612011 278126052 /nfs/dbraw/zinc/12/60/52/278126052.db2.gz QBHNDSSDZLAHAF-KBPBESRZSA-N 2 0 281.469 2.486 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)CC2 ZINC000423512166 281057043 /nfs/dbraw/zinc/05/70/43/281057043.db2.gz QRMAVBXTKCPJDD-DIOULYMOSA-N 2 0 255.365 2.263 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)CC2 ZINC000423512171 281057150 /nfs/dbraw/zinc/05/71/50/281057150.db2.gz QRMAVBXTKCPJDD-HZUKXOBISA-N 2 0 255.365 2.263 20 30 CEEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CCc2ccccc21 ZINC000171611586 329077973 /nfs/dbraw/zinc/07/79/73/329077973.db2.gz ZZAYMDDMLYKDSB-UHFFFAOYSA-N 2 0 286.423 2.110 20 30 CEEDRP N#CCSCCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173897874 329153430 /nfs/dbraw/zinc/15/34/30/329153430.db2.gz VNMSKTGYUAPRFL-CQSZACIVSA-N 2 0 267.442 2.051 20 30 CEEDRP CC[NH+]=C(NCC[NH+]1CCCC1)N1CC[C@](C)(CC)C1 ZINC000261655299 329974985 /nfs/dbraw/zinc/97/49/85/329974985.db2.gz AMEATWHTQCZARX-INIZCTEOSA-N 2 0 280.460 2.170 20 30 CEEDRP CN(C)C(=[NH+]C[C@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000262762440 330029831 /nfs/dbraw/zinc/02/98/31/330029831.db2.gz FWUOKICPTXPDHE-OAHLLOKOSA-N 2 0 280.460 2.263 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422857285 330157944 /nfs/dbraw/zinc/15/79/44/330157944.db2.gz GQMDDUCSNBXIKS-GVDBMIGSSA-N 2 0 277.456 2.147 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422910050 330159845 /nfs/dbraw/zinc/15/98/45/330159845.db2.gz POPUNNKNTSYJBR-UKRRQHHQSA-N 2 0 260.381 2.468 20 30 CEEDRP C=C[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987830 330162937 /nfs/dbraw/zinc/16/29/37/330162937.db2.gz HLLYVCDDOFRMHJ-DUVNUKRYSA-N 2 0 258.365 2.406 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423094927 330169529 /nfs/dbraw/zinc/16/95/29/330169529.db2.gz KZZQYDWFEMGSOO-JJTUDDRGSA-N 2 0 278.440 2.478 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000423100755 330170102 /nfs/dbraw/zinc/17/01/02/330170102.db2.gz HISOPRPPDOHWJV-KBRIMQKVSA-N 2 0 290.407 2.093 20 30 CEEDRP C=C(C)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000351979000 526442614 /nfs/dbraw/zinc/44/26/14/526442614.db2.gz FSRDKEYTVYRMCA-UHFFFAOYSA-N 2 0 279.472 2.302 20 30 CEEDRP C=C(C[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000764504885 574598352 /nfs/dbraw/zinc/59/83/52/574598352.db2.gz FYJSESVKTGDFDI-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000970176606 613348930 /nfs/dbraw/zinc/34/89/30/613348930.db2.gz DXOIRAKYKQFMMN-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000104167580 624320527 /nfs/dbraw/zinc/32/05/27/624320527.db2.gz GGSAYQJBZMOIFZ-MRXNPFEDSA-N 2 0 288.439 2.138 20 30 CEEDRP C#C[C@H](C)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000775184001 628040851 /nfs/dbraw/zinc/04/08/51/628040851.db2.gz RNQGWIGBXICZHB-AWEZNQCLSA-N 2 0 260.381 2.081 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162459408 628303367 /nfs/dbraw/zinc/30/33/67/628303367.db2.gz RRICRSXBQRMRJV-QGZVFWFLSA-N 2 0 288.439 2.355 20 30 CEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C1CC1)[NH+](C)C ZINC000104175775 628685802 /nfs/dbraw/zinc/68/58/02/628685802.db2.gz ZOOZLAFUJTUVST-ZFWWWQNUSA-N 2 0 282.476 2.446 20 30 CEEDRP N#Cc1ccc(F)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250854822 628939190 /nfs/dbraw/zinc/93/91/90/628939190.db2.gz FUXFCHVJYBOSDG-CABCVRRESA-N 2 0 273.355 2.414 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987572531 631428133 /nfs/dbraw/zinc/42/81/33/631428133.db2.gz UNUDARIQCQPIEM-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000900321251 633671686 /nfs/dbraw/zinc/67/16/86/633671686.db2.gz QKLHAYDKWPGBGQ-YOEHRIQHSA-N 2 0 295.471 2.121 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817946496 633793428 /nfs/dbraw/zinc/79/34/28/633793428.db2.gz YEQPVSHHHCFFDD-ZIAGYGMSSA-N 2 0 273.380 2.239 20 30 CEEDRP C[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817955268 633798642 /nfs/dbraw/zinc/79/86/42/633798642.db2.gz UUQKUEOILWAYDA-KBPBESRZSA-N 2 0 273.380 2.239 20 30 CEEDRP C=CCCCCC[N@@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903894952 635330776 /nfs/dbraw/zinc/33/07/76/635330776.db2.gz IQPOCLYUXWLJJD-OAHLLOKOSA-N 2 0 291.443 2.381 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911708866 638385793 /nfs/dbraw/zinc/38/57/93/638385793.db2.gz YSZQQTIJCNECGB-HUUCEWRRSA-N 2 0 283.460 2.180 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000876774479 650428057 /nfs/dbraw/zinc/42/80/57/650428057.db2.gz XHSMWRYRTBYCTB-CYBMUJFWSA-N 2 0 295.814 2.465 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000913714066 640077225 /nfs/dbraw/zinc/07/72/25/640077225.db2.gz NADDPBKLJXVXBH-UHFFFAOYSA-N 2 0 295.471 2.121 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C#N ZINC000843339805 640393744 /nfs/dbraw/zinc/39/37/44/640393744.db2.gz DKRXWTTXUJEXEH-CWRNSKLLSA-N 2 0 285.391 2.045 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002793180 642836330 /nfs/dbraw/zinc/83/63/30/642836330.db2.gz WSAZZIOZWACLCS-MRXNPFEDSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000852753167 643538017 /nfs/dbraw/zinc/53/80/17/643538017.db2.gz AGHKIHBCFXGDQQ-XQQFMLRXSA-N 2 0 258.793 2.100 20 30 CEEDRP N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1 ZINC000923480441 643731230 /nfs/dbraw/zinc/73/12/30/643731230.db2.gz YOBVXIOIRGHVFZ-NSHDSACASA-N 2 0 263.772 2.382 20 30 CEEDRP C#C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000877833620 650927302 /nfs/dbraw/zinc/92/73/02/650927302.db2.gz KDAHLWOESRIRAM-SHTZXODSSA-N 2 0 278.440 2.003 20 30 CEEDRP CNC(NCCC1CC[NH+](Cc2ccccc2)CC1)=[NH+]C ZINC000864358101 646977577 /nfs/dbraw/zinc/97/75/77/646977577.db2.gz JBKYXIQYPBEHRW-UHFFFAOYSA-N 2 0 288.439 2.084 20 30 CEEDRP C#CCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780331065 647417773 /nfs/dbraw/zinc/41/77/73/647417773.db2.gz MVGZWSNQDHAIEN-UHFFFAOYSA-N 2 0 278.440 2.224 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](CCC=C)[C@@H]1CCCO1 ZINC000883224157 652405737 /nfs/dbraw/zinc/40/57/37/652405737.db2.gz GLUPYRFWECEWTM-HOTGVXAUSA-N 2 0 264.413 2.045 20 30 CEEDRP C=CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1CC ZINC001087593725 805758696 /nfs/dbraw/zinc/75/86/96/805758696.db2.gz SWFYDLHZANVEAF-ARFHVFGLSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001087684175 805772255 /nfs/dbraw/zinc/77/22/55/805772255.db2.gz KACGXEXKTLQPLR-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001271425664 805938586 /nfs/dbraw/zinc/93/85/86/805938586.db2.gz IXDNFOUHTVHKQY-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001271861057 806120919 /nfs/dbraw/zinc/12/09/19/806120919.db2.gz LNKPUHZAXUGBTQ-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001228895711 806358531 /nfs/dbraw/zinc/35/85/31/806358531.db2.gz PBJTXLRXTJLHDN-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001210744757 802727474 /nfs/dbraw/zinc/72/74/74/802727474.db2.gz VNOJWCMIBDWLMA-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266640542 802807447 /nfs/dbraw/zinc/80/74/47/802807447.db2.gz XJHYZHFUYZBWBF-WKILWMFISA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266735679 802872707 /nfs/dbraw/zinc/87/27/07/802872707.db2.gz RQRLSJVBYJIWJW-IYBDPMFKSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCC[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267151207 803167176 /nfs/dbraw/zinc/16/71/76/803167176.db2.gz MHTWVFCDSGZOET-OAHLLOKOSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267233196 803264421 /nfs/dbraw/zinc/26/44/21/803264421.db2.gz RTZXGNKVUHTKCR-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267790186 803735462 /nfs/dbraw/zinc/73/54/62/803735462.db2.gz NSGNJCVXKBSYRZ-CVEARBPZSA-N 2 0 295.471 2.216 20 30 CEEDRP C/C(N[C@@H]1C[C@H]2C[C@H]2C1)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001167923186 804842123 /nfs/dbraw/zinc/84/21/23/804842123.db2.gz AKCYBLDWGZEKIN-MUJYYYPQSA-N 2 0 257.381 2.452 20 30 CEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167948049 805112907 /nfs/dbraw/zinc/11/29/07/805112907.db2.gz KGXSHNWRIRRGOR-BCDXTJNWSA-N 2 0 289.467 2.077 20 30 CEEDRP C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001099200291 807661287 /nfs/dbraw/zinc/66/12/87/807661287.db2.gz ZAOZJOZQGQFYFR-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP CCCCCCCCC[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235056094 807765177 /nfs/dbraw/zinc/76/51/77/807765177.db2.gz VVKGQQZUJVDHMG-MRXNPFEDSA-N 2 0 267.461 2.374 20 30 CEEDRP C=CCCCCCC[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001205209336 808552391 /nfs/dbraw/zinc/55/23/91/808552391.db2.gz ITQFSWXAKPNSKP-OAHLLOKOSA-N 2 0 254.418 2.299 20 30 CEEDRP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001272777408 808654344 /nfs/dbraw/zinc/65/43/44/808654344.db2.gz HSDASRMSIFZCSB-BZUAXINKSA-N 2 0 295.471 2.023 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034736173 809678789 /nfs/dbraw/zinc/67/87/89/809678789.db2.gz RSUTZHAMSGEQDA-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC001121987620 815374275 /nfs/dbraw/zinc/37/42/75/815374275.db2.gz DFYQDJVFESEHFD-HNNXBMFYSA-N 2 0 281.444 2.003 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001122002871 815376794 /nfs/dbraw/zinc/37/67/94/815376794.db2.gz LNKNIBIVZGMAPT-ZNMIVQPWSA-N 2 0 281.444 2.001 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001020238860 810782218 /nfs/dbraw/zinc/78/22/18/810782218.db2.gz GDJDZSSHYDXGAB-BZUAXINKSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724910 810890032 /nfs/dbraw/zinc/89/00/32/810890032.db2.gz IWCIBQWWLCTCEP-MRXNPFEDSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001130710860 812600625 /nfs/dbraw/zinc/60/06/25/812600625.db2.gz HDXNBLCKYVDDSF-JKSUJKDBSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001131798852 812729412 /nfs/dbraw/zinc/72/94/12/812729412.db2.gz AFOQTSIPGFNELJ-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310915 812829031 /nfs/dbraw/zinc/82/90/31/812829031.db2.gz PZDWEGGXFZWFRY-LSDHHAIUSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]1C ZINC001132310913 812829820 /nfs/dbraw/zinc/82/98/20/812829820.db2.gz PZDWEGGXFZWFRY-GJZGRUSLSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@H]1C ZINC001132435386 812849867 /nfs/dbraw/zinc/84/98/67/812849867.db2.gz CKNXRBWBINOMKO-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441335 812855800 /nfs/dbraw/zinc/85/58/00/812855800.db2.gz NPFZPKRIRDQMQK-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001052498392 812999585 /nfs/dbraw/zinc/99/95/85/812999585.db2.gz HGSYRCJXKVLQFE-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP CN1CC[C@@H](NC(=[NH2+])c2ccc(C(F)(F)F)cc2)C1 ZINC001255413083 813086887 /nfs/dbraw/zinc/08/68/87/813086887.db2.gz TZHZHCXEXFOEFB-LLVKDONJSA-N 2 0 271.286 2.115 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000152284382 813311216 /nfs/dbraw/zinc/31/12/16/813311216.db2.gz XZFUKKGZNURYKR-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858225 813336971 /nfs/dbraw/zinc/33/69/71/813336971.db2.gz PZIAAVGDAKFVPG-GJZGRUSLSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071738091 813472820 /nfs/dbraw/zinc/47/28/20/813472820.db2.gz AEPQKQVFZRBFMT-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788459 813523853 /nfs/dbraw/zinc/52/38/53/813523853.db2.gz FTFXZNAHKKHVHV-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246026625 813664621 /nfs/dbraw/zinc/66/46/21/813664621.db2.gz WLJSLQRIOSHSQR-IAGOWNOFSA-N 2 0 298.471 2.050 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106903 813699803 /nfs/dbraw/zinc/69/98/03/813699803.db2.gz QLDKCPYMIZCTDG-YHNBSYBMSA-N 2 0 266.429 2.478 20 30 CEEDRP [NH2+]=C(Nc1ccnc(C[NH3+])c1)c1ccc2cc(O)ccc2c1 ZINC001171182908 814070302 /nfs/dbraw/zinc/07/03/02/814070302.db2.gz WJNVDERJQZVXOP-UHFFFAOYSA-N 2 0 292.342 2.436 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039589 814215826 /nfs/dbraw/zinc/21/58/26/814215826.db2.gz SYOOCOUKUJUMEP-FHERZECASA-N 2 0 295.471 2.166 20 30 CEEDRP CC(C)([NH3+])c1ccccc1NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001171258477 814238535 /nfs/dbraw/zinc/23/85/35/814238535.db2.gz ALSRSZOVIHJWSH-UHFFFAOYSA-N 2 0 296.374 2.016 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148573218 814589311 /nfs/dbraw/zinc/58/93/11/814589311.db2.gz RHWHSZGAIJMHTI-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)CC[N@H+](C)CCC ZINC001148578000 814590178 /nfs/dbraw/zinc/59/01/78/814590178.db2.gz MVFBVGGNQABEJP-UHFFFAOYSA-N 2 0 285.476 2.395 20 30 CEEDRP C=CCOC1CCC([NH+]2C[C@H]3C[NH+](CC)C[C@@H]3C2)CC1 ZINC001173326341 815676251 /nfs/dbraw/zinc/67/62/51/815676251.db2.gz ZACLOHZQZZPHDP-NUWOQIAWSA-N 2 0 278.440 2.384 20 30 CEEDRP C#CCOc1ccc(C[NH+]2CCC3(C[NH+](C)C3)CC2)cc1 ZINC001138560164 815829830 /nfs/dbraw/zinc/82/98/30/815829830.db2.gz KHLKPYULJIZULI-UHFFFAOYSA-N 2 0 284.403 2.226 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001176753640 816472934 /nfs/dbraw/zinc/47/29/34/816472934.db2.gz JHSOADZPSULWNE-OAHLLOKOSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001176998846 816506801 /nfs/dbraw/zinc/50/68/01/816506801.db2.gz HKQILMYRXNUCRD-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[C@H](C)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000091510879 344166556 /nfs/dbraw/zinc/16/65/56/344166556.db2.gz LJUZFYBAWOTLLO-INIZCTEOSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000091511078 344166749 /nfs/dbraw/zinc/16/67/49/344166749.db2.gz CNBFOZRESBRQCD-IRXDYDNUSA-N 2 0 279.472 2.443 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000404626104 344881280 /nfs/dbraw/zinc/88/12/80/344881280.db2.gz CCFBPOUMQQTUFL-RRFJBIMHSA-N 2 0 273.355 2.175 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000592470744 345358132 /nfs/dbraw/zinc/35/81/32/345358132.db2.gz GRMNHKNBFOQOSN-JKSUJKDBSA-N 2 0 257.381 2.360 20 30 CEEDRP N#CC1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000592471036 345358643 /nfs/dbraw/zinc/35/86/43/345358643.db2.gz UIMIXFOVAGQACY-MTERUZRBSA-N 2 0 261.413 2.294 20 30 CEEDRP N#CCCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594922530 345702943 /nfs/dbraw/zinc/70/29/43/345702943.db2.gz UXRSSZIXWREJOC-UHFFFAOYSA-N 2 0 255.325 2.051 20 30 CEEDRP C[NH+](C)CC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595295058 345756624 /nfs/dbraw/zinc/75/66/24/345756624.db2.gz DDIZFTNAMAOTDD-UHFFFAOYSA-N 2 0 271.408 2.374 20 30 CEEDRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000594962743 345717912 /nfs/dbraw/zinc/71/79/12/345717912.db2.gz GPNRYGXHUOCJAR-GTPINHCMSA-N 2 0 294.487 2.320 20 30 CEEDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595889643 345907334 /nfs/dbraw/zinc/90/73/34/345907334.db2.gz AQWYQRFXEHZOIQ-CZUORRHYSA-N 2 0 257.381 2.160 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000596653315 346073054 /nfs/dbraw/zinc/07/30/54/346073054.db2.gz ZZRFKDOZFOXNCD-JKSUJKDBSA-N 2 0 257.381 2.208 20 30 CEEDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598715358 346406618 /nfs/dbraw/zinc/40/66/18/346406618.db2.gz PIFDGEKGTGFRFZ-INIZCTEOSA-N 2 0 289.423 2.139 20 30 CEEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000602603202 347096386 /nfs/dbraw/zinc/09/63/86/347096386.db2.gz NAFZFCQWEXERPL-AWEZNQCLSA-N 2 0 290.411 2.051 20 30 CEEDRP C[C@H](c1ccc(C#N)cc1)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000602889835 347239437 /nfs/dbraw/zinc/23/94/37/347239437.db2.gz DYQCONBQWKSSCG-PBHICJAKSA-N 2 0 287.407 2.008 20 30 CEEDRP N#Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccn1 ZINC000610995106 347730229 /nfs/dbraw/zinc/73/02/29/347730229.db2.gz HQYXALGZFMKMAU-CRAIPNDOSA-N 2 0 296.418 2.402 20 30 CEEDRP C[NH2+]CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000070188943 363050987 /nfs/dbraw/zinc/05/09/87/363050987.db2.gz NKELYLHWSALXHP-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP CC(C)[NH+]1CCC([N@H+](C)CCCSCC#N)CC1 ZINC000074989931 363430878 /nfs/dbraw/zinc/43/08/78/363430878.db2.gz YNYTXGQCRGXAQE-UHFFFAOYSA-N 2 0 269.458 2.438 20 30 CEEDRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(C#N)cc1 ZINC000271863430 191375419 /nfs/dbraw/zinc/37/54/19/191375419.db2.gz KVOFPOUGKQWGAN-CYBMUJFWSA-N 2 0 255.365 2.471 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000152955167 366722646 /nfs/dbraw/zinc/72/26/46/366722646.db2.gz CDWKJBRRXZEQQZ-UHFFFAOYSA-N 2 0 291.483 2.491 20 30 CEEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000334672827 364161450 /nfs/dbraw/zinc/16/14/50/364161450.db2.gz YIIYGNVOYDZWJE-ABAIWWIYSA-N 2 0 261.344 2.127 20 30 CEEDRP CC[NH2+]CC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000113655922 364908344 /nfs/dbraw/zinc/90/83/44/364908344.db2.gz NOEHKHYOVTYHHO-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(CC#N)cc3)C2)C1 ZINC000336124977 365443715 /nfs/dbraw/zinc/44/37/15/365443715.db2.gz QEHLULNQZPYVQQ-QGZVFWFLSA-N 2 0 269.392 2.280 20 30 CEEDRP C=CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342331034 367401137 /nfs/dbraw/zinc/40/11/37/367401137.db2.gz NIGYMEFHBCBQJR-UHFFFAOYSA-N 2 0 252.402 2.139 20 30 CEEDRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202751 370949515 /nfs/dbraw/zinc/94/95/15/370949515.db2.gz NAAUCACVQRJVIY-SUMWQHHRSA-N 2 0 285.391 2.009 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261713617 371708787 /nfs/dbraw/zinc/70/87/87/371708787.db2.gz MUASAVMIHCAMRI-INIZCTEOSA-N 2 0 260.381 2.422 20 30 CEEDRP CC1CCN(C(=[NH2+])NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000264085160 371966764 /nfs/dbraw/zinc/96/67/64/371966764.db2.gz JABFHZOFGXOPND-UHFFFAOYSA-N 2 0 288.439 2.295 20 30 CEEDRP CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000264125646 371974686 /nfs/dbraw/zinc/97/46/86/371974686.db2.gz SEPSKJHMSYGVKZ-ZDUSSCGKSA-N 2 0 274.412 2.095 20 30 CEEDRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(C#N)c2)C1 ZINC000269137581 372353459 /nfs/dbraw/zinc/35/34/59/372353459.db2.gz WFBQDZZWXRPEGA-DLBZAZTESA-N 2 0 269.392 2.474 20 30 CEEDRP CC#CC[C@@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000641767776 372707498 /nfs/dbraw/zinc/70/74/98/372707498.db2.gz QWWLXVCSZHPGAJ-INIZCTEOSA-N 2 0 278.440 2.147 20 30 CEEDRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000563701065 377280131 /nfs/dbraw/zinc/28/01/31/377280131.db2.gz NYLRUROZKAOUGL-NSHDSACASA-N 2 0 261.344 2.348 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000264983860 190149741 /nfs/dbraw/zinc/14/97/41/190149741.db2.gz VEIJXYBSTGOTKZ-SJORKVTESA-N 2 0 284.403 2.415 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430719937 377545204 /nfs/dbraw/zinc/54/52/04/377545204.db2.gz HIUJCKZOFWZRJW-CVEARBPZSA-N 2 0 293.455 2.051 20 30 CEEDRP C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(C#N)o3)C2)C1 ZINC000293689045 377700430 /nfs/dbraw/zinc/70/04/30/377700430.db2.gz QMGZQFSMAVPQSC-HNNXBMFYSA-N 2 0 259.353 2.069 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000436291276 377821577 /nfs/dbraw/zinc/82/15/77/377821577.db2.gz PUJLMLBPLIRNTE-QXSJWSMHSA-N 2 0 264.413 2.184 20 30 CEEDRP C=CCC[C@@H](CO)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000449701380 378221299 /nfs/dbraw/zinc/22/12/99/378221299.db2.gz WCNZOJDJJWLGCJ-AWEZNQCLSA-N 2 0 254.418 2.166 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267414257 394678610 /nfs/dbraw/zinc/67/86/10/394678610.db2.gz IVWVWHOQGCWBON-NSHDSACASA-N 2 0 280.391 2.090 20 30 CEEDRP CC[NH+](CC)CCCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000104153369 394717742 /nfs/dbraw/zinc/71/77/42/394717742.db2.gz ZPGUTWQCHNSVJR-UHFFFAOYSA-N 2 0 278.400 2.154 20 30 CEEDRP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1C#N ZINC000414906035 394797452 /nfs/dbraw/zinc/79/74/52/394797452.db2.gz LVURHGQKEHONBN-MRXNPFEDSA-N 2 0 273.380 2.046 20 30 CEEDRP C=CCOCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000338999677 394935291 /nfs/dbraw/zinc/93/52/91/394935291.db2.gz FXKTWCNZAGFOED-HNNXBMFYSA-N 2 0 252.402 2.139 20 30 CEEDRP N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000339005823 394936290 /nfs/dbraw/zinc/93/62/90/394936290.db2.gz BWQFTFQEENCWSS-OAGGEKHMSA-N 2 0 261.413 2.486 20 30 CEEDRP C=C(C)C[NH+]1CCC(NCc2cncs2)CC1 ZINC000136078584 394969736 /nfs/dbraw/zinc/96/97/36/394969736.db2.gz VECOXKBALINCLL-UHFFFAOYSA-N 2 0 251.399 2.273 20 30 CEEDRP C=C(C)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000351732375 395232254 /nfs/dbraw/zinc/23/22/54/395232254.db2.gz RNUHMFWUSPPYPW-UHFFFAOYSA-N 2 0 279.472 2.443 20 30 CEEDRP C[C@@H](CCC#N)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000411219322 395323765 /nfs/dbraw/zinc/32/37/65/395323765.db2.gz JZXRTHNQCCQMFE-HNNXBMFYSA-N 2 0 279.428 2.113 20 30 CEEDRP C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000572344348 395586079 /nfs/dbraw/zinc/58/60/79/395586079.db2.gz VXCONXZFDYXXIA-DOTOQJQBSA-N 2 0 278.440 2.432 20 30 CEEDRP CCC#C[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000650193481 400833598 /nfs/dbraw/zinc/83/35/98/400833598.db2.gz HOEVUFCZQIRIHK-INIZCTEOSA-N 2 0 278.440 2.223 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC000651677654 401370530 /nfs/dbraw/zinc/37/05/30/401370530.db2.gz PGQRHJITQZZBHT-BRWVUGGUSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH+](CC)CC2)C1 ZINC000651750322 401382936 /nfs/dbraw/zinc/38/29/36/401382936.db2.gz CWIWYCIGGQCYPF-DLBZAZTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361786 401494025 /nfs/dbraw/zinc/49/40/25/401494025.db2.gz PGKRNSKIXSOFAE-ZNMIVQPWSA-N 2 0 252.402 2.313 20 30 CEEDRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191464064 153174843 /nfs/dbraw/zinc/17/48/43/153174843.db2.gz NDYCOLYIWMEHBN-CQSZACIVSA-N 2 0 297.406 2.085 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000333631391 228207731 /nfs/dbraw/zinc/20/77/31/228207731.db2.gz AYCBYKDHCWRIOR-ZWKOTPCHSA-N 2 0 299.418 2.277 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908973 261448690 /nfs/dbraw/zinc/44/86/90/261448690.db2.gz JMLVQWLICKLDDM-UHFFFAOYSA-N 2 0 286.423 2.263 20 30 CEEDRP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000273347803 263015771 /nfs/dbraw/zinc/01/57/71/263015771.db2.gz PBOYWUYVWBPYBO-INIZCTEOSA-N 2 0 286.423 2.060 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414831049 263056434 /nfs/dbraw/zinc/05/64/34/263056434.db2.gz PGZYWPUESAUYQL-OAHLLOKOSA-N 2 0 290.407 2.349 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414965017 263169070 /nfs/dbraw/zinc/16/90/70/263169070.db2.gz VMBXUWHVCVHCOY-CJNGLKHVSA-N 2 0 260.381 2.339 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367601601 267102277 /nfs/dbraw/zinc/10/22/77/267102277.db2.gz OPXITYIETQCMKH-MJBXVCDLSA-N 2 0 254.443 2.368 20 30 CEEDRP CCN(CC[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21)C1CC1 ZINC000378454063 329051138 /nfs/dbraw/zinc/05/11/38/329051138.db2.gz PHMFMUGUFMEPEO-HZMVEIRTSA-N 2 0 291.439 2.300 20 30 CEEDRP C=C(Cl)CNC(NC1CC[NH+](C(C)C)CC1)=[NH+]CC ZINC000262452730 330014057 /nfs/dbraw/zinc/01/40/57/330014057.db2.gz RSTSMPPGAKMXLO-UHFFFAOYSA-N 2 0 286.851 2.167 20 30 CEEDRP CN1CCC[NH+]=C1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000263160313 330046634 /nfs/dbraw/zinc/04/66/34/330046634.db2.gz QOEVDBVQDNIEIX-UHFFFAOYSA-N 2 0 292.471 2.314 20 30 CEEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423126086 330171371 /nfs/dbraw/zinc/17/13/71/330171371.db2.gz APNVAEOFBMFWPJ-QLFBSQMISA-N 2 0 266.429 2.335 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)C1CC1 ZINC000423407164 330197069 /nfs/dbraw/zinc/19/70/69/330197069.db2.gz LSKXDQCKKCWAET-OAHLLOKOSA-N 2 0 266.429 2.337 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423386439 330199491 /nfs/dbraw/zinc/19/94/91/330199491.db2.gz LFTLCPQGLDBQJJ-RWMBFGLXSA-N 2 0 293.377 2.013 20 30 CEEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCc2ccccc21 ZINC000086809614 330371129 /nfs/dbraw/zinc/37/11/29/330371129.db2.gz CQQSPTNRBXVJND-UHFFFAOYSA-N 2 0 274.412 2.013 20 30 CEEDRP C#CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000192757004 333239066 /nfs/dbraw/zinc/23/90/66/333239066.db2.gz BEBVNUCPWRQGQC-UHFFFAOYSA-N 2 0 291.483 2.280 20 30 CEEDRP C=C(C)CC[NH+]1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000949117867 613261980 /nfs/dbraw/zinc/26/19/80/613261980.db2.gz PNMFBNJBRBAUBD-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000963158453 613347225 /nfs/dbraw/zinc/34/72/25/613347225.db2.gz YNAMDRWXKXOQAK-UYSNPLJNSA-N 2 0 293.455 2.016 20 30 CEEDRP CCNC(NC[C@H](CC(C)C)[NH+]1CCCC1)=[NH+]CC ZINC000066245080 625815986 /nfs/dbraw/zinc/81/59/86/625815986.db2.gz VUHVKCUCEGBWMH-AWEZNQCLSA-N 2 0 268.449 2.072 20 30 CEEDRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000902405164 634640446 /nfs/dbraw/zinc/64/04/46/634640446.db2.gz JAMJOOSYRFIGOD-SJORKVTESA-N 2 0 283.419 2.393 20 30 CEEDRP C[NH+](C)CCC[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000931076781 628358595 /nfs/dbraw/zinc/35/85/95/628358595.db2.gz XHUIDZHDULDLSH-OFLPRAFFSA-N 2 0 293.455 2.359 20 30 CEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C1CC1)[NH+](C)C ZINC000104175779 628685558 /nfs/dbraw/zinc/68/55/58/628685558.db2.gz ZOOZLAFUJTUVST-UKRRQHHQSA-N 2 0 282.476 2.446 20 30 CEEDRP N#Cc1ccc(N2CCC(N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)cc1 ZINC000902469444 634685695 /nfs/dbraw/zinc/68/56/95/634685695.db2.gz QSLDBUKLFAUXBX-CGTJXYLNSA-N 2 0 296.418 2.010 20 30 CEEDRP N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000925815146 628871052 /nfs/dbraw/zinc/87/10/52/628871052.db2.gz UCYSJYWSNRPJKE-VNHYZAJKSA-N 2 0 273.355 2.175 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](CC)C1)N1CC[C@@](C)(CC)C1 ZINC000261800642 629245791 /nfs/dbraw/zinc/24/57/91/629245791.db2.gz RLLYUSAHTSTUNX-DOTOQJQBSA-N 2 0 294.487 2.416 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CC#N)CC3)cc2)CC1 ZINC000797468099 630243552 /nfs/dbraw/zinc/24/35/52/630243552.db2.gz BRBRKFWJIARADI-UHFFFAOYSA-N 2 0 298.434 2.222 20 30 CEEDRP CCNC(NCCCCCCC[NH+](C)C)=[NH+]CC ZINC000303253494 631078750 /nfs/dbraw/zinc/07/87/50/631078750.db2.gz CTWPRSQTCKBYOL-UHFFFAOYSA-N 2 0 256.438 2.074 20 30 CEEDRP CCCC[N@H+](C)CC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801913376 631350865 /nfs/dbraw/zinc/35/08/65/631350865.db2.gz UNRFOJXLRMSIKG-HNNXBMFYSA-N 2 0 281.444 2.359 20 30 CEEDRP C#Cc1ccc(C[NH2+]CCOCC[NH+](CC)CC)cc1 ZINC000809639960 632119513 /nfs/dbraw/zinc/11/95/13/632119513.db2.gz QOENPOBBZCVTLO-UHFFFAOYSA-N 2 0 274.408 2.116 20 30 CEEDRP C#C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000809685395 632127371 /nfs/dbraw/zinc/12/73/71/632127371.db2.gz QVMJHQIPNPGXFN-KRWDZBQOSA-N 2 0 274.408 2.374 20 30 CEEDRP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817946495 633793238 /nfs/dbraw/zinc/79/32/38/633793238.db2.gz YEQPVSHHHCFFDD-UONOGXRCSA-N 2 0 273.380 2.239 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000903478151 635147682 /nfs/dbraw/zinc/14/76/82/635147682.db2.gz FNKWXKZIZAFPCV-DOTOQJQBSA-N 2 0 269.392 2.216 20 30 CEEDRP N#Cc1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903932614 635358636 /nfs/dbraw/zinc/35/86/36/635358636.db2.gz TUUDWGYDBZLHQL-FUCXHRTASA-N 2 0 267.376 2.404 20 30 CEEDRP C=CCCC(C)(C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903933825 635359285 /nfs/dbraw/zinc/35/92/85/635359285.db2.gz WHOCHRLMUQBWFP-AWEZNQCLSA-N 2 0 278.444 2.180 20 30 CEEDRP C[C@@H]1C[C@H](C[N@H+](C)Cc2cc(C#N)cs2)CC[NH2+]1 ZINC000904469187 635646851 /nfs/dbraw/zinc/64/68/51/635646851.db2.gz JHZKGZIGAZNKKE-VXGBXAGGSA-N 2 0 263.410 2.440 20 30 CEEDRP Cn1cncc1/C=C/C(=O)c1cccc(C[NH+](C)C)c1 ZINC000905077760 635795264 /nfs/dbraw/zinc/79/52/64/635795264.db2.gz DHJQUZLSDPRARO-BQYQJAHWSA-N 2 0 269.348 2.378 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(F)c1 ZINC000876778017 650429345 /nfs/dbraw/zinc/42/93/45/650429345.db2.gz WSHISZLWVYOVPQ-ZDUSSCGKSA-N 2 0 299.777 2.296 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](CNC(NC(C)(C)C)=[NH+]CC2CC2)C1 ZINC000912505549 638712090 /nfs/dbraw/zinc/71/20/90/638712090.db2.gz GDFBGYOMJLXPMI-HNNXBMFYSA-N 2 0 294.487 2.462 20 30 CEEDRP CC(C)C[NH+]=C(NC[C@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912507814 638712953 /nfs/dbraw/zinc/71/29/53/638712953.db2.gz FLORKHAAYFSRLM-CYBMUJFWSA-N 2 0 268.449 2.070 20 30 CEEDRP C[NH+]1CCC(CC[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877020573 650533610 /nfs/dbraw/zinc/53/36/10/650533610.db2.gz YOHSJVFJBDHYQR-UHFFFAOYSA-N 2 0 292.814 2.428 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072592372 641942572 /nfs/dbraw/zinc/94/25/72/641942572.db2.gz SGDZMZVECMFQFV-UHFFFAOYSA-N 2 0 286.423 2.131 20 30 CEEDRP CCC[NH+](CCC)CCCNC(NCc1ccco1)=[NH+]C ZINC000848996184 642215970 /nfs/dbraw/zinc/21/59/70/642215970.db2.gz LZJHDZYBYHDXDI-UHFFFAOYSA-N 2 0 294.443 2.457 20 30 CEEDRP C[NH+]=C(NCCCCC[NH+]1CCCC1)NCc1ccco1 ZINC000849033507 642245250 /nfs/dbraw/zinc/24/52/50/642245250.db2.gz ONRNJMPHFGVRAL-UHFFFAOYSA-N 2 0 292.427 2.211 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCCN1C ZINC000921593276 642249664 /nfs/dbraw/zinc/24/96/64/642249664.db2.gz PFXVXRCFUWIYBI-HNNXBMFYSA-N 2 0 257.381 2.359 20 30 CEEDRP CC[N@H+](CCCNC(NC1CC1)=[NH+]C)C1CCCCC1 ZINC000849047291 642256459 /nfs/dbraw/zinc/25/64/59/642256459.db2.gz UASZSFVRSZSCST-UHFFFAOYSA-N 2 0 280.460 2.359 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003251160 642921832 /nfs/dbraw/zinc/92/18/32/642921832.db2.gz PZOXSVFDKPGBDA-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001004206468 643116263 /nfs/dbraw/zinc/11/62/63/643116263.db2.gz AXBASUAYXJIJFK-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923494048 643738590 /nfs/dbraw/zinc/73/85/90/643738590.db2.gz KEYVPOZJJFVHGQ-XJKSGUPXSA-N 2 0 257.381 2.017 20 30 CEEDRP C#CCCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746282 650892437 /nfs/dbraw/zinc/89/24/37/650892437.db2.gz KSTAHDDPEQNXTG-UHFFFAOYSA-N 2 0 291.483 2.282 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000113340149 644356908 /nfs/dbraw/zinc/35/69/08/644356908.db2.gz MXKDBQZOHKYORS-MRXNPFEDSA-N 2 0 272.392 2.130 20 30 CEEDRP C#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598421 644697326 /nfs/dbraw/zinc/69/73/26/644697326.db2.gz HTXNYRMSNYYPJQ-QGZVFWFLSA-N 2 0 287.407 2.008 20 30 CEEDRP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000857234388 644865755 /nfs/dbraw/zinc/86/57/55/644865755.db2.gz JXLZOIJDCBBTAL-AWEZNQCLSA-N 2 0 281.444 2.140 20 30 CEEDRP C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1CC[NH+](C)CC1 ZINC000866616081 647843407 /nfs/dbraw/zinc/84/34/07/647843407.db2.gz VPFNONHEWNDPFJ-ACJLOTCBSA-N 2 0 283.419 2.345 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000873254278 649611204 /nfs/dbraw/zinc/61/12/04/649611204.db2.gz PEYADDRQZYJOBX-NFAWXSAZSA-N 2 0 258.365 2.087 20 30 CEEDRP C[NH+]1CCN(C2CC[NH+](CCCC(C)(C)C#N)CC2)CC1 ZINC000879592254 651328260 /nfs/dbraw/zinc/32/82/60/651328260.db2.gz FYEOZROTECOVFF-UHFFFAOYSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1)C(C)C ZINC001271886654 806127797 /nfs/dbraw/zinc/12/77/97/806127797.db2.gz VBIJCLMMYUNUNZ-CVEARBPZSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267094617 803119088 /nfs/dbraw/zinc/11/90/88/803119088.db2.gz VCUPLXRHMZAEHD-HZPDHXFCSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001038240507 803177355 /nfs/dbraw/zinc/17/73/55/803177355.db2.gz QJNPYOBIOBZFSF-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693710619 803248650 /nfs/dbraw/zinc/24/86/50/803248650.db2.gz CVFZXWCDHWLIHW-FRRDWIJNSA-N 2 0 254.443 2.272 20 30 CEEDRP C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267632073 803632896 /nfs/dbraw/zinc/63/28/96/803632896.db2.gz PBIGKIJSGMTJKO-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001268098041 804435988 /nfs/dbraw/zinc/43/59/88/804435988.db2.gz NHSWGFBGCKAGOI-HOTGVXAUSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268109271 804445558 /nfs/dbraw/zinc/44/55/58/804445558.db2.gz GPKGGJVTEYDTDT-HOTGVXAUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCCC1 ZINC001268118268 804455477 /nfs/dbraw/zinc/45/54/77/804455477.db2.gz JBLUVFZAQAMOGX-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001268258768 804582918 /nfs/dbraw/zinc/58/29/18/804582918.db2.gz FGGFHXZYCKUTTG-MRXNPFEDSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001268395999 804650014 /nfs/dbraw/zinc/65/00/14/804650014.db2.gz GLTNHRWKXIDHKY-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1CC ZINC001269182962 805072404 /nfs/dbraw/zinc/07/24/04/805072404.db2.gz RCUOTOFUVPRLBX-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284069846 807052235 /nfs/dbraw/zinc/05/22/35/807052235.db2.gz QUMULXLVBOVOQQ-NVXWUHKLSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2CC)[C@H]1C ZINC001089060956 807325940 /nfs/dbraw/zinc/32/59/40/807325940.db2.gz PNGWVRZYHJYPAS-OWCLPIDISA-N 2 0 293.455 2.016 20 30 CEEDRP C#CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625148 815137158 /nfs/dbraw/zinc/13/71/58/815137158.db2.gz LZKPLWRMRCZQEC-OKYOBFRVSA-N 2 0 298.430 2.013 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001171586364 815192542 /nfs/dbraw/zinc/19/25/42/815192542.db2.gz MYUFMPVGEOWBFF-AWEZNQCLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001206153384 815265373 /nfs/dbraw/zinc/26/53/73/815265373.db2.gz VNXIFRBJSRQUNW-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034400280 809599668 /nfs/dbraw/zinc/59/96/68/809599668.db2.gz XIAYXQHAJYCQLR-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034642718 809649777 /nfs/dbraw/zinc/64/97/77/809649777.db2.gz JUTQRDUZFPABER-BZUAXINKSA-N 2 0 293.455 2.062 20 30 CEEDRP C/C(NC1C[C@H]2CC[C@@H](C1)O2)=[NH+]/Cc1cccc(C[NH3+])c1 ZINC001172225238 815340646 /nfs/dbraw/zinc/34/06/46/815340646.db2.gz GDJLDRHXMUKBTB-ALOPSCKCSA-N 2 0 287.407 2.363 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C)CC1 ZINC001172292975 815383698 /nfs/dbraw/zinc/38/36/98/815383698.db2.gz SHXAKHOCTUKYRZ-CQSZACIVSA-N 2 0 271.408 2.421 20 30 CEEDRP C[C@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@@H]1C[NH3+] ZINC001205996101 811306337 /nfs/dbraw/zinc/30/63/37/811306337.db2.gz UTVJUPHZRAOFOR-UONOGXRCSA-N 2 0 257.381 2.365 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001044679955 811523206 /nfs/dbraw/zinc/52/32/06/811523206.db2.gz DIUWALUMEZSVAQ-UKRRQHHQSA-N 2 0 298.390 2.103 20 30 CEEDRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668202 812568577 /nfs/dbraw/zinc/56/85/77/812568577.db2.gz FIAUFKLPRPHUAC-SJORKVTESA-N 2 0 292.471 2.028 20 30 CEEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[C@H]1C ZINC001132106356 812787412 /nfs/dbraw/zinc/78/74/12/812787412.db2.gz TYRNYIFSRLZAJV-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132284105 812818259 /nfs/dbraw/zinc/81/82/59/812818259.db2.gz WETYPCGVYIUHAP-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001052498390 812999426 /nfs/dbraw/zinc/99/94/26/812999426.db2.gz HGSYRCJXKVLQFE-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001134612379 813296782 /nfs/dbraw/zinc/29/67/82/813296782.db2.gz LUNBZWBDPXHXDX-GJZGRUSLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475973 813447001 /nfs/dbraw/zinc/44/70/01/813447001.db2.gz HMKUDDITVGMCBT-HUUCEWRRSA-N 2 0 297.487 2.413 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170863644 813559569 /nfs/dbraw/zinc/55/95/69/813559569.db2.gz XHXWDDKFCXFDLK-BZUAXINKSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977775 813580992 /nfs/dbraw/zinc/58/09/92/813580992.db2.gz YUORYAZPXBURNS-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(CC#N)cc3)C[C@@H]2C1 ZINC000399134460 813698789 /nfs/dbraw/zinc/69/87/89/813698789.db2.gz ZRNVDVXYDIFULR-SJORKVTESA-N 2 0 269.392 2.136 20 30 CEEDRP C#Cc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001144567498 814116955 /nfs/dbraw/zinc/11/69/55/814116955.db2.gz OKQQUMUTAUYGLD-UHFFFAOYSA-N 2 0 277.371 2.385 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769576 814182922 /nfs/dbraw/zinc/18/29/22/814182922.db2.gz QJXSDEHWTWZCFU-FHERZECASA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001146537639 814295725 /nfs/dbraw/zinc/29/57/25/814295725.db2.gz ZCGWSPNYGMOSAR-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146613212 814299890 /nfs/dbraw/zinc/29/98/90/814299890.db2.gz SDWVJAIGBRDJST-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206196631 815624990 /nfs/dbraw/zinc/62/49/90/815624990.db2.gz CJDGACICFOSVMK-CABCVRRESA-N 2 0 261.344 2.128 20 30 CEEDRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCC(CC#N)CC3)C[C@@H]2C1 ZINC001173335873 815680100 /nfs/dbraw/zinc/68/01/00/815680100.db2.gz FLQHJFGMMBBJFX-FYRZTWFESA-N 2 0 261.413 2.342 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001175786383 816284099 /nfs/dbraw/zinc/28/40/99/816284099.db2.gz KBNLVJQTKKTOHW-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176229832 816370802 /nfs/dbraw/zinc/37/08/02/816370802.db2.gz BSQYKIZOPZIMIV-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP COc1cc(CN2CCCCC[C@@H]([NH3+])C2)ccc1C#N ZINC000602020908 346962604 /nfs/dbraw/zinc/96/26/04/346962604.db2.gz OVHNLKVRSLYSSI-OAHLLOKOSA-N 2 0 273.380 2.270 20 30 CEEDRP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CC1 ZINC000066243799 343709823 /nfs/dbraw/zinc/70/98/23/343709823.db2.gz OJFFBBYLEOOQCI-MRXNPFEDSA-N 2 0 286.423 2.108 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602523000 347066355 /nfs/dbraw/zinc/06/63/55/347066355.db2.gz YCBDNPNJEMFBJM-LSDHHAIUSA-N 2 0 279.428 2.017 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000399137769 344856860 /nfs/dbraw/zinc/85/68/60/344856860.db2.gz SDOULUFPOVLHCP-DLBZAZTESA-N 2 0 269.392 2.469 20 30 CEEDRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000591578298 345265997 /nfs/dbraw/zinc/26/59/97/345265997.db2.gz NDQYVCUFCDXGDM-FZMZJTMJSA-N 2 0 261.344 2.490 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591578279 345266203 /nfs/dbraw/zinc/26/62/03/345266203.db2.gz LEVKNRGWPVNVLK-MRXNPFEDSA-N 2 0 298.434 2.259 20 30 CEEDRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000595055589 345735549 /nfs/dbraw/zinc/73/55/49/345735549.db2.gz GXNMHUAODCRQAA-BBRMVZONSA-N 2 0 257.381 2.173 20 30 CEEDRP C[NH+](C)CCC[C@@H]1C[N@H+](CC(C)(C)CCC#N)CCO1 ZINC000597247906 346161793 /nfs/dbraw/zinc/16/17/93/346161793.db2.gz IMQAKILSIGJZAI-OAHLLOKOSA-N 2 0 281.444 2.359 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598596875 346380867 /nfs/dbraw/zinc/38/08/67/346380867.db2.gz USPJGNDQXYRQTO-ILXRZTDVSA-N 2 0 281.444 2.092 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000598679740 346399795 /nfs/dbraw/zinc/39/97/95/346399795.db2.gz LYCCKNCCWACZCY-ZWKOTPCHSA-N 2 0 299.418 2.277 20 30 CEEDRP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C#N ZINC000600699791 346673696 /nfs/dbraw/zinc/67/36/96/346673696.db2.gz DGHCVWXEFVUING-HIFRSBDPSA-N 2 0 257.381 2.426 20 30 CEEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602684423 347144507 /nfs/dbraw/zinc/14/45/07/347144507.db2.gz YBJVHFKRZPKVEC-UHFFFAOYSA-N 2 0 260.385 2.163 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000602687113 347147034 /nfs/dbraw/zinc/14/70/34/347147034.db2.gz ILARXYQSRAJLLQ-JKSUJKDBSA-N 2 0 293.455 2.407 20 30 CEEDRP N#C[C@H]1CC[C@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848382 347223562 /nfs/dbraw/zinc/22/35/62/347223562.db2.gz MPUORDGVBGDGGE-HOCLYGCPSA-N 2 0 270.380 2.286 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000602848380 347223745 /nfs/dbraw/zinc/22/37/45/347223745.db2.gz MPUORDGVBGDGGE-GDBMZVCRSA-N 2 0 270.380 2.286 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1OC ZINC000619770965 349234435 /nfs/dbraw/zinc/23/44/35/349234435.db2.gz CZSGFOYPDBOBGC-OAHLLOKOSA-N 2 0 290.407 2.444 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000106034066 186099916 /nfs/dbraw/zinc/09/99/16/186099916.db2.gz SGLHLMGXGCRDFX-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694783 539944876 /nfs/dbraw/zinc/94/48/76/539944876.db2.gz MMEGRKKHXBCSCS-HOCLYGCPSA-N 2 0 289.423 2.336 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@@H+](C[C@H](C)C#N)C2CC2)CC1 ZINC000337321327 366141857 /nfs/dbraw/zinc/14/18/57/366141857.db2.gz PXJGOAPOZBQUIO-MRXNPFEDSA-N 2 0 292.471 2.027 20 30 CEEDRP C[C@@]1(CNC(=[NH2+])NC2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000153555771 366736033 /nfs/dbraw/zinc/73/60/33/366736033.db2.gz AIEXWQRWCHESTO-KRWDZBQOSA-N 2 0 286.423 2.108 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000334979878 364303956 /nfs/dbraw/zinc/30/39/56/364303956.db2.gz JWGSVCMYBPILRS-SJORKVTESA-N 2 0 269.392 2.380 20 30 CEEDRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000335748369 364924968 /nfs/dbraw/zinc/92/49/68/364924968.db2.gz UOHIWRFKEOSECP-AWEZNQCLSA-N 2 0 284.338 2.420 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)o1 ZINC000335910986 365151011 /nfs/dbraw/zinc/15/10/11/365151011.db2.gz PXMCRTSYSZGWOO-UHFFFAOYSA-N 2 0 256.309 2.254 20 30 CEEDRP C=CC[NH+](C)CCN(CC)CC[C@@H]1CCCC[N@@H+]1C ZINC000582406629 366907923 /nfs/dbraw/zinc/90/79/23/366907923.db2.gz XLSJHPGHLIJKCK-INIZCTEOSA-N 2 0 267.461 2.301 20 30 CEEDRP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550858 367878359 /nfs/dbraw/zinc/87/83/59/367878359.db2.gz LOHYRTCRUINHMZ-INIZCTEOSA-N 2 0 257.381 2.136 20 30 CEEDRP CC(C)[N@@H+]1CCC[C@H](CNCc2ccc(C#N)o2)C1 ZINC000174352115 368013976 /nfs/dbraw/zinc/01/39/76/368013976.db2.gz UXRKOVIUVWIAJK-CYBMUJFWSA-N 2 0 261.369 2.361 20 30 CEEDRP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1 ZINC000181105691 368423035 /nfs/dbraw/zinc/42/30/35/368423035.db2.gz WUFHTBFANMXIFQ-OAHLLOKOSA-N 2 0 292.427 2.018 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000190772383 369650517 /nfs/dbraw/zinc/65/05/17/369650517.db2.gz SDCZTPYRGNUVMO-OAHLLOKOSA-N 2 0 288.439 2.498 20 30 CEEDRP C=C(C)CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000351759759 369651516 /nfs/dbraw/zinc/65/15/16/369651516.db2.gz STHIAOWDSVYTDV-QLFBSQMISA-N 2 0 252.402 2.136 20 30 CEEDRP N#CCC[C@H](C#N)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246824410 371017066 /nfs/dbraw/zinc/01/70/66/371017066.db2.gz NWRFMOJZAQQRIN-BFYDXBDKSA-N 2 0 286.423 2.379 20 30 CEEDRP C=C(CC)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000358505397 371096919 /nfs/dbraw/zinc/09/69/19/371096919.db2.gz HPMDRUIFSRNXFI-IAGOWNOFSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCCC[C@H](C)[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639766385 371555205 /nfs/dbraw/zinc/55/52/05/371555205.db2.gz NSNPSPZBUFWVHS-LSDHHAIUSA-N 2 0 254.418 2.120 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000264110704 371972004 /nfs/dbraw/zinc/97/20/04/371972004.db2.gz QTOYDEOIMUCCPG-CYBMUJFWSA-N 2 0 260.385 2.145 20 30 CEEDRP COc1ccc(NC(=[NH2+])NCC2([NH+](C)C)CCCC2)cc1 ZINC000264110417 371972256 /nfs/dbraw/zinc/97/22/56/371972256.db2.gz OSPKRFZKAYKFIV-UHFFFAOYSA-N 2 0 290.411 2.296 20 30 CEEDRP C=CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000364226676 372698539 /nfs/dbraw/zinc/69/85/39/372698539.db2.gz ALPVHRPNOVKPIM-GJZGRUSLSA-N 2 0 266.429 2.384 20 30 CEEDRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000353537173 220144883 /nfs/dbraw/zinc/14/48/83/220144883.db2.gz ZRLIFPKMLZTEFC-UHFFFAOYSA-N 2 0 287.407 2.101 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367204954 373141433 /nfs/dbraw/zinc/14/14/33/373141433.db2.gz FTDXCODLICDYCF-IXIBIKRGSA-N 2 0 264.413 2.182 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000266175953 190237163 /nfs/dbraw/zinc/23/71/63/190237163.db2.gz SWGORTCJVVEQMU-GDBMZVCRSA-N 2 0 272.392 2.271 20 30 CEEDRP CN(C)C(=[NH+]C[C@H](c1cccs1)[NH+]1CCCC1)N(C)C ZINC000262214400 394615011 /nfs/dbraw/zinc/61/50/11/394615011.db2.gz FDWZWXIAZAABCZ-CYBMUJFWSA-N 2 0 294.468 2.364 20 30 CEEDRP C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267203490 394674083 /nfs/dbraw/zinc/67/40/83/394674083.db2.gz FFABMRVYNSJBNB-CQSZACIVSA-N 2 0 286.423 2.386 20 30 CEEDRP CCN(CC)C(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267382141 394677720 /nfs/dbraw/zinc/67/77/20/394677720.db2.gz AXQNZWXZSXERKI-UHFFFAOYSA-N 2 0 280.391 2.044 20 30 CEEDRP CC#CC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122050889 394808323 /nfs/dbraw/zinc/80/83/23/394808323.db2.gz AVYGHQGQKCTZLU-UHFFFAOYSA-N 2 0 266.429 2.080 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372353663 395040520 /nfs/dbraw/zinc/04/05/20/395040520.db2.gz HCNGMSXTRWYGON-BZUAXINKSA-N 2 0 266.429 2.432 20 30 CEEDRP C=C(C)CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000351759762 395231895 /nfs/dbraw/zinc/23/18/95/395231895.db2.gz STHIAOWDSVYTDV-SOUVJXGZSA-N 2 0 252.402 2.136 20 30 CEEDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442784141 395395072 /nfs/dbraw/zinc/39/50/72/395395072.db2.gz RKEQDAWLGDBQHR-HOCLYGCPSA-N 2 0 287.407 2.409 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C1 ZINC000651677041 401370346 /nfs/dbraw/zinc/37/03/46/401370346.db2.gz VSMZOOJMPZCNHD-HUUCEWRRSA-N 2 0 254.418 2.289 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C1 ZINC000651677042 401370370 /nfs/dbraw/zinc/37/03/70/401370370.db2.gz VSMZOOJMPZCNHD-LSDHHAIUSA-N 2 0 254.418 2.289 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000651679399 401371077 /nfs/dbraw/zinc/37/10/77/401371077.db2.gz ZNNASVLVQDYZLW-HOTGVXAUSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CCCn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)nn1 ZINC000657413463 414919377 /nfs/dbraw/zinc/91/93/77/414919377.db2.gz CBILRCBAQLSTDH-UHFFFAOYSA-N 2 0 291.443 2.064 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285170 415676170 /nfs/dbraw/zinc/67/61/70/415676170.db2.gz FSOUOZMQUUIRLH-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662680422 415928714 /nfs/dbraw/zinc/92/87/14/415928714.db2.gz VAEAWRNLIZNABS-BFYDXBDKSA-N 2 0 293.455 2.064 20 30 CEEDRP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])N(C)C1CC1 ZINC000273318724 263015334 /nfs/dbraw/zinc/01/53/34/263015334.db2.gz FGDXADMUHBLPSR-UHFFFAOYSA-N 2 0 288.439 2.436 20 30 CEEDRP CC#CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280281034 263060295 /nfs/dbraw/zinc/06/02/95/263060295.db2.gz DOVORBPDHFOYES-HDICACEKSA-N 2 0 268.404 2.464 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415042349 263257248 /nfs/dbraw/zinc/25/72/48/263257248.db2.gz QOAUFPVDFIHTHO-ZFWWWQNUSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415042610 263257257 /nfs/dbraw/zinc/25/72/57/263257257.db2.gz RCWHHPXJOJBJKQ-UKRRQHHQSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367601600 267102700 /nfs/dbraw/zinc/10/27/00/267102700.db2.gz OPXITYIETQCMKH-MGPQQGTHSA-N 2 0 254.443 2.368 20 30 CEEDRP C[NH+](C)C1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000421376079 267278637 /nfs/dbraw/zinc/27/86/37/267278637.db2.gz RCDISKJOCNHQFS-UHFFFAOYSA-N 2 0 297.406 2.168 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123151047 268003474 /nfs/dbraw/zinc/00/34/74/268003474.db2.gz HWKIWECJCWMGBV-MRXNPFEDSA-N 2 0 268.445 2.367 20 30 CEEDRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(C#N)cc2)C1 ZINC000269128667 277181697 /nfs/dbraw/zinc/18/16/97/277181697.db2.gz HGSGXQIEAYYUCW-IRXDYDNUSA-N 2 0 269.392 2.474 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCC(C)(C)C#N ZINC000345734980 289332274 /nfs/dbraw/zinc/33/22/74/289332274.db2.gz ZJMGHFZTVICMAD-QLFBSQMISA-N 2 0 279.428 2.110 20 30 CEEDRP N#Cc1cccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000573922747 314183271 /nfs/dbraw/zinc/18/32/71/314183271.db2.gz DOOGPXYZYHSCKD-HDJSIYSDSA-N 2 0 257.381 2.413 20 30 CEEDRP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(OCC#N)cc2)C1 ZINC000266639991 328170059 /nfs/dbraw/zinc/17/00/59/328170059.db2.gz TXGFFEGVTNWCMR-MRXNPFEDSA-N 2 0 287.407 2.363 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414968243 328284014 /nfs/dbraw/zinc/28/40/14/328284014.db2.gz YHCLKPLCBGETEP-DZGCQCFKSA-N 2 0 290.407 2.348 20 30 CEEDRP C=CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000132681236 329648237 /nfs/dbraw/zinc/64/82/37/329648237.db2.gz IBCNVNNPRHMGLB-HOTGVXAUSA-N 2 0 265.445 2.053 20 30 CEEDRP CC[NH+]=C(NC[C@H]1CC1(C)C)NC1CC[NH+](C(C)C)CC1 ZINC000262886373 330036304 /nfs/dbraw/zinc/03/63/04/330036304.db2.gz MTHLQVBEIHLQSX-CQSZACIVSA-N 2 0 294.487 2.460 20 30 CEEDRP C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423019381 330165820 /nfs/dbraw/zinc/16/58/20/330165820.db2.gz VKMFZHDTNHMMKJ-SOUVJXGZSA-N 2 0 254.418 2.071 20 30 CEEDRP CC[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCc2ccccc21 ZINC000086809362 330371156 /nfs/dbraw/zinc/37/11/56/330371156.db2.gz PAAIMDDJEORQOU-UHFFFAOYSA-N 2 0 288.439 2.403 20 30 CEEDRP C[C@@H]1CN(CCC[NH2+]CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000174253299 335151434 /nfs/dbraw/zinc/15/14/34/335151434.db2.gz RFATVDJLNBACPF-GASCZTMLSA-N 2 0 281.444 2.405 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCC#N)[C@@H](C)C1 ZINC000248444744 334302146 /nfs/dbraw/zinc/30/21/46/334302146.db2.gz BRWHBDZXVGPELV-LSDHHAIUSA-N 2 0 267.417 2.017 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC000947615814 613740704 /nfs/dbraw/zinc/74/07/04/613740704.db2.gz LJSCMRKTCYQMJS-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269557 613871306 /nfs/dbraw/zinc/87/13/06/613871306.db2.gz BMAHOFAZXQCONB-LSDHHAIUSA-N 2 0 293.455 2.064 20 30 CEEDRP CCNC(NC[C@]1([NH+](C)C)CCC[C@H](C)C1)=[NH+]CC ZINC000066245708 625818302 /nfs/dbraw/zinc/81/83/02/625818302.db2.gz YEPPYEWWZUHTDP-ZFWWWQNUSA-N 2 0 268.449 2.072 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162455055 628301901 /nfs/dbraw/zinc/30/19/01/628301901.db2.gz SQXWMFYYAVGFLO-KRWDZBQOSA-N 2 0 288.439 2.354 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[N@H+]1CCCC ZINC000104181580 628711638 /nfs/dbraw/zinc/71/16/38/628711638.db2.gz QNPRNZHBIQHCPZ-CQSZACIVSA-N 2 0 266.433 2.121 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000902491423 634689092 /nfs/dbraw/zinc/68/90/92/634689092.db2.gz XKULKSKINRBWQJ-YDHLFZDLSA-N 2 0 258.365 2.087 20 30 CEEDRP N#Cc1ccc(F)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000250854828 628939180 /nfs/dbraw/zinc/93/91/80/628939180.db2.gz FUXFCHVJYBOSDG-GJZGRUSLSA-N 2 0 273.355 2.414 20 30 CEEDRP [NH2+]=C(NCCCCC[NH+]1CCCCC1)Nc1ccccn1 ZINC000178573498 628951435 /nfs/dbraw/zinc/95/14/35/628951435.db2.gz VJSZMKYLZVOMJQ-UHFFFAOYSA-N 2 0 289.427 2.464 20 30 CEEDRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261998796 629418052 /nfs/dbraw/zinc/41/80/52/629418052.db2.gz OTOSQFHMAAGHDN-KBPBESRZSA-N 2 0 282.476 2.222 20 30 CEEDRP CC[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262024950 629449266 /nfs/dbraw/zinc/44/92/66/629449266.db2.gz ZLKGBESCJYSYHP-GXTWGEPZSA-N 2 0 280.460 2.070 20 30 CEEDRP C#CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000897171041 630973688 /nfs/dbraw/zinc/97/36/88/630973688.db2.gz OSSLLOHQOLQDTB-UHFFFAOYSA-N 2 0 285.435 2.282 20 30 CEEDRP C#CC[N@H+](C)CCCNc1cc[nH+]c2c(O)cccc12 ZINC000814929452 632932720 /nfs/dbraw/zinc/93/27/20/632932720.db2.gz KJPXPULLCBCDMN-UHFFFAOYSA-N 2 0 269.348 2.307 20 30 CEEDRP C#CC[N@H+](C)CCCNc1cc[nH+]c2ccc(C)cc12 ZINC000814929464 632932762 /nfs/dbraw/zinc/93/27/62/632932762.db2.gz KSJYODMUWHOJEQ-UHFFFAOYSA-N 2 0 267.376 2.332 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000900240436 633609046 /nfs/dbraw/zinc/60/90/46/633609046.db2.gz POULHJBCFXUQTD-UHFFFAOYSA-N 2 0 284.363 2.319 20 30 CEEDRP COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1C#N ZINC000817916071 633774775 /nfs/dbraw/zinc/77/47/75/633774775.db2.gz ULOJAFHOYARJBZ-UKRRQHHQSA-N 2 0 273.380 2.174 20 30 CEEDRP C=CC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903723923 635237561 /nfs/dbraw/zinc/23/75/61/635237561.db2.gz ZJVLUADLQCPGSH-ZWKOTPCHSA-N 2 0 286.419 2.443 20 30 CEEDRP C=C(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000824744065 635490164 /nfs/dbraw/zinc/49/01/64/635490164.db2.gz XXHFFBOLMAAHJQ-UHFFFAOYSA-N 2 0 273.424 2.494 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911857183 638446232 /nfs/dbraw/zinc/44/62/32/638446232.db2.gz UKBPUCDQJGHKDT-IUODEOHRSA-N 2 0 275.396 2.006 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000876914202 650483406 /nfs/dbraw/zinc/48/34/06/650483406.db2.gz CAVDZMGKMINILA-ZIAGYGMSSA-N 2 0 295.814 2.053 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923507518 643744411 /nfs/dbraw/zinc/74/44/11/643744411.db2.gz QEACHCZPESPONE-WBVHZDCISA-N 2 0 280.456 2.415 20 30 CEEDRP C#CC[C@H](CCOC)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000862548873 646494409 /nfs/dbraw/zinc/49/44/09/646494409.db2.gz PLVSZXXCROEMIW-OAHLLOKOSA-N 2 0 287.407 2.068 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000776257565 647043021 /nfs/dbraw/zinc/04/30/21/647043021.db2.gz MGULXCWVLNGADE-CQSZACIVSA-N 2 0 285.391 2.329 20 30 CEEDRP C[C@H]1CNC(NN=C2CCCC[C@H]2[NH+]2CCCCCC2)=[NH+]1 ZINC000779791837 647353326 /nfs/dbraw/zinc/35/33/26/647353326.db2.gz LLNHDIAMNXLUDI-DZGCQCFKSA-N 2 0 291.443 2.098 20 30 CEEDRP C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1c1cc[nH+]cc1 ZINC000880259781 651412206 /nfs/dbraw/zinc/41/22/06/651412206.db2.gz IRKAGUUIHSFWEX-FMKPAKJESA-N 2 0 270.380 2.284 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000883431975 652467825 /nfs/dbraw/zinc/46/78/25/652467825.db2.gz HWSQGPSMXNREQE-CFVMTHIKSA-N 2 0 252.402 2.169 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001087523253 805666184 /nfs/dbraw/zinc/66/61/84/805666184.db2.gz OOAPVPXGLXUDJO-XHSDSOJGSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168029959 805822188 /nfs/dbraw/zinc/82/21/88/805822188.db2.gz LAFMPYSVLJZJHU-HOTGVXAUSA-N 2 0 293.455 2.065 20 30 CEEDRP C[NH+]1CCC(C)(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001208113209 802342673 /nfs/dbraw/zinc/34/26/73/802342673.db2.gz FFXDTCSCLSJZAV-QKDCVEJESA-N 2 0 261.413 2.485 20 30 CEEDRP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266807410 802911316 /nfs/dbraw/zinc/91/13/16/802911316.db2.gz KMBAETFXQKITDB-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001267094616 803118865 /nfs/dbraw/zinc/11/88/65/803118865.db2.gz VCUPLXRHMZAEHD-HOTGVXAUSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167636316 803224967 /nfs/dbraw/zinc/22/49/67/803224967.db2.gz RXSCTPCAPLHQMN-MRXNPFEDSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267233190 803263857 /nfs/dbraw/zinc/26/38/57/803263857.db2.gz RTZXGNKVUHTKCR-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267435818 803466201 /nfs/dbraw/zinc/46/62/01/803466201.db2.gz BLAZOKHDCCXTFM-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267790188 803735086 /nfs/dbraw/zinc/73/50/86/803735086.db2.gz NSGNJCVXKBSYRZ-HZPDHXFCSA-N 2 0 295.471 2.216 20 30 CEEDRP C=CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001267805890 803745425 /nfs/dbraw/zinc/74/54/25/803745425.db2.gz SRVFESOQXWHQPN-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267964141 803856816 /nfs/dbraw/zinc/85/68/16/803856816.db2.gz HMAORJVAYMXQFI-HZPDHXFCSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268000355 803901470 /nfs/dbraw/zinc/90/14/70/803901470.db2.gz YRKCHHMOBMYZOO-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562382 804125157 /nfs/dbraw/zinc/12/51/57/804125157.db2.gz NUMARDCYGWVVRZ-JKSUJKDBSA-N 2 0 295.471 2.072 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCCC1 ZINC001268052335 804336661 /nfs/dbraw/zinc/33/66/61/804336661.db2.gz CXMLSEWXRHHUDS-OAHLLOKOSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[N@@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001268238698 804566719 /nfs/dbraw/zinc/56/67/19/804566719.db2.gz KAQZQBODHUDMKY-INIZCTEOSA-N 2 0 295.471 2.217 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001269184004 805072337 /nfs/dbraw/zinc/07/23/37/805072337.db2.gz XGCUXIKAIIVLRC-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001269308442 805121235 /nfs/dbraw/zinc/12/12/35/805121235.db2.gz CAAPZWGSLPZFNQ-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001269308443 805121414 /nfs/dbraw/zinc/12/14/14/805121414.db2.gz CAAPZWGSLPZFNQ-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001284069854 807055556 /nfs/dbraw/zinc/05/55/56/807055556.db2.gz QUMULXLVBOVOQQ-WBVHZDCISA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579585 815200616 /nfs/dbraw/zinc/20/06/16/815200616.db2.gz XONVQGXAFBWSJI-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998764751 808762687 /nfs/dbraw/zinc/76/26/87/808762687.db2.gz URXCHCKIOGPSJR-GPANFISMSA-N 2 0 293.455 2.014 20 30 CEEDRP N#Cc1ccc(Cl)c(C[NH+]2CCC(C[NH3+])CC2)c1 ZINC001205041225 808879825 /nfs/dbraw/zinc/87/98/25/808879825.db2.gz RAILMELDGBFEJT-UHFFFAOYSA-N 2 0 263.772 2.382 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128972881 809633836 /nfs/dbraw/zinc/63/38/36/809633836.db2.gz LXJDAWJTJNAAID-UHFFFAOYSA-N 2 0 280.416 2.019 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001034659167 809654859 /nfs/dbraw/zinc/65/48/59/809654859.db2.gz NUARGSJVIREORO-JYJNAYRXSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001015792226 810355159 /nfs/dbraw/zinc/35/51/59/810355159.db2.gz TYABUCLSVZAMKV-CVEARBPZSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015796007 810356660 /nfs/dbraw/zinc/35/66/60/810356660.db2.gz UKTGCISWCGGOPK-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC001085260285 810707559 /nfs/dbraw/zinc/70/75/59/810707559.db2.gz GJYVFPBCQMBBBU-HZPDHXFCSA-N 2 0 298.390 2.151 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122185574 815391502 /nfs/dbraw/zinc/39/15/02/815391502.db2.gz UYTUKVJMZOUYSR-QLFBSQMISA-N 2 0 281.444 2.027 20 30 CEEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(-n2nncc2C[NH3+])cc1 ZINC001169311152 811484475 /nfs/dbraw/zinc/48/44/75/811484475.db2.gz DFWHFGGSRYPNBX-INIZCTEOSA-N 2 0 283.379 2.049 20 30 CEEDRP C[C@@H](CCCC#N)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001172510175 815458545 /nfs/dbraw/zinc/45/85/45/815458545.db2.gz WNFQWUUYTUOQGQ-INIZCTEOSA-N 2 0 292.471 2.028 20 30 CEEDRP C=C(C)CC[NH+]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001113353176 812227024 /nfs/dbraw/zinc/22/70/24/812227024.db2.gz QWDDOCUODQOUNL-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254668196 812567646 /nfs/dbraw/zinc/56/76/46/812567646.db2.gz FIAUFKLPRPHUAC-DLBZAZTESA-N 2 0 292.471 2.028 20 30 CEEDRP C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377541 812835534 /nfs/dbraw/zinc/83/55/34/812835534.db2.gz YFUJTGCQCSCCLN-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441338 812855209 /nfs/dbraw/zinc/85/52/09/812855209.db2.gz NPFZPKRIRDQMQK-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP CC(C)[C@H](C#N)c1ccc(N[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001170901290 813623027 /nfs/dbraw/zinc/62/30/27/813623027.db2.gz YMAFTLOAOLXVBY-LSDHHAIUSA-N 2 0 260.385 2.385 20 30 CEEDRP C=CCC(C)(C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC001144069108 813946193 /nfs/dbraw/zinc/94/61/93/813946193.db2.gz GZYIHBCOAPUICA-UHFFFAOYSA-N 2 0 297.487 2.321 20 30 CEEDRP N#CCc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206198640 815710820 /nfs/dbraw/zinc/71/08/20/815710820.db2.gz NDCQDXHFWQZPJB-CABCVRRESA-N 2 0 261.344 2.014 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176566191 816442205 /nfs/dbraw/zinc/44/22/05/816442205.db2.gz ZKOCPKWLLLJXLP-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037649377 361917818 /nfs/dbraw/zinc/91/78/18/361917818.db2.gz TWMSXEBVMUOPTP-OAHLLOKOSA-N 2 0 255.365 2.132 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080836591 344026759 /nfs/dbraw/zinc/02/67/59/344026759.db2.gz IFQWOZJSHWPFQB-INIZCTEOSA-N 2 0 286.423 2.131 20 30 CEEDRP C[C@H]([NH2+]CCOc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000090107538 344137211 /nfs/dbraw/zinc/13/72/11/344137211.db2.gz JUKQAWODEOWKRF-AWEZNQCLSA-N 2 0 287.407 2.257 20 30 CEEDRP C[C@@H](CCC#N)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000602531374 347068839 /nfs/dbraw/zinc/06/88/39/347068839.db2.gz HQTHYDPPRWKNBU-HNNXBMFYSA-N 2 0 292.471 2.074 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000591573259 345265395 /nfs/dbraw/zinc/26/53/95/345265395.db2.gz CEOBJZYSGQZART-GXTWGEPZSA-N 2 0 263.772 2.429 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000592470976 345358148 /nfs/dbraw/zinc/35/81/48/345358148.db2.gz QKTVVGLRMCHFMV-BZUAXINKSA-N 2 0 285.391 2.045 20 30 CEEDRP C[C@@H]([NH3+])C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595894794 345908750 /nfs/dbraw/zinc/90/87/50/345908750.db2.gz XILXWCVAZVPSKZ-CYBMUJFWSA-N 2 0 257.381 2.160 20 30 CEEDRP N#Cc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)o1 ZINC000600768942 346686646 /nfs/dbraw/zinc/68/66/46/346686646.db2.gz IGBLMMSILPWSBN-WFASDCNBSA-N 2 0 259.353 2.115 20 30 CEEDRP N#CCC[C@H](C#N)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844718 347221940 /nfs/dbraw/zinc/22/19/40/347221940.db2.gz DVDMAXNDDJMEHW-OAHLLOKOSA-N 2 0 283.379 2.037 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000602876868 347234658 /nfs/dbraw/zinc/23/46/58/347234658.db2.gz DORKCYOZXXXMTA-UHFFFAOYSA-N 2 0 269.392 2.476 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000579953582 366728749 /nfs/dbraw/zinc/72/87/49/366728749.db2.gz USGYKRPCNRJIBJ-CZUORRHYSA-N 2 0 257.381 2.230 20 30 CEEDRP C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000334672863 364161715 /nfs/dbraw/zinc/16/17/15/364161715.db2.gz YIIYGNVOYDZWJE-IAQYHMDHSA-N 2 0 261.344 2.127 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584002437 367127936 /nfs/dbraw/zinc/12/79/36/367127936.db2.gz ZYRGBOTXCFUYGE-CJNGLKHVSA-N 2 0 272.396 2.258 20 30 CEEDRP C=CCc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(OC)c1O ZINC000346693816 368776340 /nfs/dbraw/zinc/77/63/40/368776340.db2.gz PVDSDYLQCXMFFA-TZMCWYRMSA-N 2 0 290.407 2.298 20 30 CEEDRP C=CCOCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000348057278 368878673 /nfs/dbraw/zinc/87/86/73/368878673.db2.gz TURZAMOVMVCMJD-UHFFFAOYSA-N 2 0 254.418 2.385 20 30 CEEDRP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1cc(C#N)n(C)c1 ZINC000191400773 369710172 /nfs/dbraw/zinc/71/01/72/369710172.db2.gz IVISSNLKKXWQHV-OAHLLOKOSA-N 2 0 274.412 2.203 20 30 CEEDRP COc1cc(CNC[C@@H](C)C[NH+]2CCCC2)ccc1C#N ZINC000234913025 370549192 /nfs/dbraw/zinc/54/91/92/370549192.db2.gz UREFLJGKTWKEGR-CQSZACIVSA-N 2 0 287.407 2.388 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc(C#N)c3)CC[C@H]21 ZINC000247943431 371148676 /nfs/dbraw/zinc/14/86/76/371148676.db2.gz GVQFZXJVLKSFEW-FUHWJXTLSA-N 2 0 299.418 2.353 20 30 CEEDRP C=CCCC[C@@H](C)[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639766378 371555614 /nfs/dbraw/zinc/55/56/14/371555614.db2.gz NSNPSPZBUFWVHS-CABCVRRESA-N 2 0 254.418 2.120 20 30 CEEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264286275 371989795 /nfs/dbraw/zinc/98/97/95/371989795.db2.gz OWNZQXOEMOFABI-GFCCVEGCSA-N 2 0 278.400 2.152 20 30 CEEDRP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000267412947 372071980 /nfs/dbraw/zinc/07/19/80/372071980.db2.gz IRPWSUBILDHKGT-OAHLLOKOSA-N 2 0 288.439 2.354 20 30 CEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000268656520 372170539 /nfs/dbraw/zinc/17/05/39/372170539.db2.gz LBBJRLJSLSVJQH-JKSUJKDBSA-N 2 0 296.374 2.194 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000449165643 378198698 /nfs/dbraw/zinc/19/86/98/378198698.db2.gz WUMNLARINMUIJK-AWEZNQCLSA-N 2 0 254.418 2.168 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000333864116 380166573 /nfs/dbraw/zinc/16/65/73/380166573.db2.gz QQIIYWOACDIDJS-QZTJIDSGSA-N 2 0 299.418 2.277 20 30 CEEDRP C(#CC[N@@H+]1CC[C@H](C2CC2)C1)C[NH+]1CC[C@H](C2CC2)C1 ZINC000556499297 380908347 /nfs/dbraw/zinc/90/83/47/380908347.db2.gz DNIMQLXJKKSFSO-ROUUACIJSA-N 2 0 272.436 2.454 20 30 CEEDRP CC#CC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000364473006 262248238 /nfs/dbraw/zinc/24/82/38/262248238.db2.gz ZJFFRBWVDPODGZ-SWLSCSKDSA-N 2 0 277.437 2.275 20 30 CEEDRP C=CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000338566003 394923296 /nfs/dbraw/zinc/92/32/96/394923296.db2.gz OMOUSFBUHVQGIF-UHFFFAOYSA-N 2 0 265.445 2.053 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347006958 395117557 /nfs/dbraw/zinc/11/75/57/395117557.db2.gz CXMSRTITLMFBDO-CQSZACIVSA-N 2 0 260.381 2.422 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178726534 395173221 /nfs/dbraw/zinc/17/32/21/395173221.db2.gz OUXOPHVUVJCIBB-AWEZNQCLSA-N 2 0 289.427 2.176 20 30 CEEDRP C=CCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000352258380 395249011 /nfs/dbraw/zinc/24/90/11/395249011.db2.gz WGWZSENIPYAJSK-GJZGRUSLSA-N 2 0 266.429 2.384 20 30 CEEDRP CC[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000179200773 395183016 /nfs/dbraw/zinc/18/30/16/395183016.db2.gz AQFAJDABGNOFSU-DZGCQCFKSA-N 2 0 292.427 2.063 20 30 CEEDRP N#CCC[C@H](C#N)C[NH2+]CCCCC[NH+]1CCCC1 ZINC000573111738 395600482 /nfs/dbraw/zinc/60/04/82/395600482.db2.gz LQDJPFUBELKNHW-OAHLLOKOSA-N 2 0 262.401 2.286 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000651675300 401369769 /nfs/dbraw/zinc/36/97/69/401369769.db2.gz PALJDHYJZLWTPR-DOTOQJQBSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@]1(C(=O)Nc2cc(C)cc(C[NH3+])c2)CCC[NH2+]1 ZINC000662818895 414759100 /nfs/dbraw/zinc/75/91/00/414759100.db2.gz FETFXWMBKNKPOP-MRXNPFEDSA-N 2 0 273.380 2.091 20 30 CEEDRP C=C(CC)C[NH+]1CCC(N2CCOC[C@@H]2C)CC1 ZINC000653689659 415075460 /nfs/dbraw/zinc/07/54/60/415075460.db2.gz IERLKQGLMWLVRH-AWEZNQCLSA-N 2 0 252.402 2.138 20 30 CEEDRP C=CCOCCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000658209552 415257083 /nfs/dbraw/zinc/25/70/83/415257083.db2.gz GZPSSYHQZMDNOS-UHFFFAOYSA-N 2 0 254.418 2.432 20 30 CEEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000161519783 261249402 /nfs/dbraw/zinc/24/94/02/261249402.db2.gz ZRRWMNKUXUQUQG-UHFFFAOYSA-N 2 0 274.412 2.095 20 30 CEEDRP CN(C(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1)C1CC1 ZINC000273346784 263015795 /nfs/dbraw/zinc/01/57/95/263015795.db2.gz PAICTECIDGJTMH-UHFFFAOYSA-N 2 0 286.423 2.191 20 30 CEEDRP C[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)C[NH+](C)C ZINC000291796491 263125553 /nfs/dbraw/zinc/12/55/53/263125553.db2.gz WTXLYROHHWHXED-HNNXBMFYSA-N 2 0 288.439 2.324 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+](C)C)c1 ZINC000291965521 263126740 /nfs/dbraw/zinc/12/67/40/263126740.db2.gz SFIDNMUEQGIUII-GFCCVEGCSA-N 2 0 262.401 2.173 20 30 CEEDRP CSC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC[NH+](C)CC1 ZINC000353612013 278125891 /nfs/dbraw/zinc/12/58/91/278125891.db2.gz QBHNDSSDZLAHAF-UONOGXRCSA-N 2 0 281.469 2.486 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(C#N)cs1 ZINC000150992709 280085875 /nfs/dbraw/zinc/08/58/75/280085875.db2.gz ZRHQCMAQBZJPLM-ZDUSSCGKSA-N 2 0 281.425 2.066 20 30 CEEDRP C=CCOCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000339662038 328012626 /nfs/dbraw/zinc/01/26/26/328012626.db2.gz FEMAXPCAUHHNRW-SJPCQFCGSA-N 2 0 296.455 2.153 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)CC1 ZINC000378450706 329050662 /nfs/dbraw/zinc/05/06/62/329050662.db2.gz CNWUAIUDQQZABH-VQHPVUNQSA-N 2 0 291.439 2.158 20 30 CEEDRP C=CCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182589566 329243232 /nfs/dbraw/zinc/24/32/32/329243232.db2.gz PMLUNDNOEOGLOL-SJPCQFCGSA-N 2 0 277.456 2.195 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185808022 329329525 /nfs/dbraw/zinc/32/95/25/329329525.db2.gz ITVZAMWGWBMNNX-HOCLYGCPSA-N 2 0 279.428 2.159 20 30 CEEDRP C=C(C)C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188318063 329366030 /nfs/dbraw/zinc/36/60/30/329366030.db2.gz OUKSIRQCZGEBPX-QGZVFWFLSA-N 2 0 274.408 2.131 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000262417092 330008988 /nfs/dbraw/zinc/00/89/88/330008988.db2.gz QIVYDSRUQPRXBG-OCCSQVGLSA-N 2 0 294.468 2.444 20 30 CEEDRP [NH2+]=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC1CCC1 ZINC000263170154 330047240 /nfs/dbraw/zinc/04/72/40/330047240.db2.gz RWSQFVNMEBDNOM-UHFFFAOYSA-N 2 0 292.471 2.490 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423152247 330173192 /nfs/dbraw/zinc/17/31/92/330173192.db2.gz LJQCXJZADNXHKO-FZKCQIBNSA-N 2 0 258.365 2.454 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410635 330197432 /nfs/dbraw/zinc/19/74/32/330197432.db2.gz DJWXLHOHSMDFEO-GJZGRUSLSA-N 2 0 252.402 2.089 20 30 CEEDRP CC1(C#N)CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423559562 330211737 /nfs/dbraw/zinc/21/17/37/330211737.db2.gz TVRXVSVLGKCQRI-NEIABLLTSA-N 2 0 261.413 2.437 20 30 CEEDRP C#CC[NH+](C)CCCN[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000491070383 332146115 /nfs/dbraw/zinc/14/61/15/332146115.db2.gz BHZGPHWXMJBGIP-HKUYNNGSSA-N 2 0 299.462 2.367 20 30 CEEDRP C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000971873600 613291493 /nfs/dbraw/zinc/29/14/93/613291493.db2.gz XOANWFNYQUPHSM-HNNXBMFYSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CC[C@@H]1CC[N@H+]1C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000934460334 624509822 /nfs/dbraw/zinc/50/98/22/624509822.db2.gz PBBAHHLBDBSDRY-QZTJIDSGSA-N 2 0 286.419 2.274 20 30 CEEDRP C=C(C)C[NH2+]C1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001026561183 628358600 /nfs/dbraw/zinc/35/86/00/628358600.db2.gz RSUTZHAMSGEQDA-FHERZECASA-N 2 0 293.455 2.064 20 30 CEEDRP [NH2+]=C(NCC[NH+]1CCCC1)Nc1cccc2c1CCCC2 ZINC000178421523 628627994 /nfs/dbraw/zinc/62/79/94/628627994.db2.gz CTPCPENDGHMMJF-UHFFFAOYSA-N 2 0 286.423 2.388 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)cc1C#N ZINC000925843208 628945550 /nfs/dbraw/zinc/94/55/50/628945550.db2.gz ZZENVQAZIXTLNI-HUUCEWRRSA-N 2 0 255.365 2.226 20 30 CEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)nc1 ZINC000925894498 628987792 /nfs/dbraw/zinc/98/77/92/628987792.db2.gz ZFIMAKRXOHUVPI-JKSUJKDBSA-N 2 0 293.374 2.100 20 30 CEEDRP C[C@H](CC(C)(C)C#N)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000924960928 629298611 /nfs/dbraw/zinc/29/86/11/629298611.db2.gz UOKWBHCGTHZTTN-OAHLLOKOSA-N 2 0 294.487 2.178 20 30 CEEDRP C#CC[NH+]1CCC(Nc2cc[nH+]c3ccc(OC)cc23)CC1 ZINC000895810533 630351471 /nfs/dbraw/zinc/35/14/71/630351471.db2.gz FNHMMVFBELLHQK-UHFFFAOYSA-N 2 0 295.386 2.175 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000815652569 633044324 /nfs/dbraw/zinc/04/43/24/633044324.db2.gz IGMHHWBWDXKQIL-PKOBYXMFSA-N 2 0 299.462 2.052 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000900412956 633708639 /nfs/dbraw/zinc/70/86/39/633708639.db2.gz YPQDHCBOIQCQHC-UHFFFAOYSA-N 2 0 295.471 2.217 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000817971624 633815508 /nfs/dbraw/zinc/81/55/08/633815508.db2.gz OLLWGRRHGWMKFZ-VNHYZAJKSA-N 2 0 273.380 2.380 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000817976094 633818901 /nfs/dbraw/zinc/81/89/01/633818901.db2.gz FTNLVJLCYSERAT-RHSMWYFYSA-N 2 0 284.403 2.491 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903191763 635004721 /nfs/dbraw/zinc/00/47/21/635004721.db2.gz FMFZJEZQAQIICX-PPHJYPGKSA-N 2 0 276.424 2.325 20 30 CEEDRP N#CC1CCC(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000903479351 635148713 /nfs/dbraw/zinc/14/87/13/635148713.db2.gz UQQJZUOWXYHKFG-TYUFSLCMSA-N 2 0 289.345 2.385 20 30 CEEDRP C=CCC1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000903933243 635358471 /nfs/dbraw/zinc/35/84/71/635358471.db2.gz MXJKBWBNJXAPHX-CQSZACIVSA-N 2 0 289.427 2.181 20 30 CEEDRP C#Cc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000834902134 637982480 /nfs/dbraw/zinc/98/24/80/637982480.db2.gz FNJBNFHMZMKYNF-AWEZNQCLSA-N 2 0 256.393 2.488 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]CC ZINC000911685870 638356771 /nfs/dbraw/zinc/35/67/71/638356771.db2.gz VCCFVAVOUHGYDP-AWEZNQCLSA-N 2 0 275.396 2.418 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911708867 638385502 /nfs/dbraw/zinc/38/55/02/638385502.db2.gz YSZQQTIJCNECGB-LSDHHAIUSA-N 2 0 283.460 2.180 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(NC(C)(C)C)=[NH+]C2CC2)C1 ZINC000912507186 638713024 /nfs/dbraw/zinc/71/30/24/638713024.db2.gz XCBYVHQKHCEYIQ-CYBMUJFWSA-N 2 0 280.460 2.214 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000876886985 650474075 /nfs/dbraw/zinc/47/40/75/650474075.db2.gz GXBHBIKWEQRPKR-CQSZACIVSA-N 2 0 295.814 2.465 20 30 CEEDRP CCCCCCNC(=[NH2+])NCCC[NH+]1CCCCC1 ZINC000170908570 639684774 /nfs/dbraw/zinc/68/47/74/639684774.db2.gz CGAXWIBHZMZPOG-UHFFFAOYSA-N 2 0 268.449 2.347 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000877016753 650532813 /nfs/dbraw/zinc/53/28/13/650532813.db2.gz PJBGYRWIYPHCTO-KRWDZBQOSA-N 2 0 279.472 2.043 20 30 CEEDRP C#CCCCCCC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877027652 650537249 /nfs/dbraw/zinc/53/72/49/650537249.db2.gz QTFCSDFVBHITEF-QGZVFWFLSA-N 2 0 291.483 2.328 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997361150 642242984 /nfs/dbraw/zinc/24/29/84/642242984.db2.gz TUUREJAOOGRRFW-GJZGRUSLSA-N 2 0 293.455 2.016 20 30 CEEDRP C[NH+]=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC1CC1 ZINC000849107726 642262489 /nfs/dbraw/zinc/26/24/89/642262489.db2.gz MWEJUSJYTRJWOO-UHFFFAOYSA-N 2 0 292.471 2.360 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001000381590 642597241 /nfs/dbraw/zinc/59/72/41/642597241.db2.gz ZPAFLMJIWMHWMQ-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC001004206470 643116135 /nfs/dbraw/zinc/11/61/35/643116135.db2.gz AXBASUAYXJIJFK-MRXNPFEDSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000852753165 643537645 /nfs/dbraw/zinc/53/76/45/643537645.db2.gz AGHKIHBCFXGDQQ-JHJVBQTASA-N 2 0 258.793 2.100 20 30 CEEDRP C=CC[N@H+](CCc1ccccc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923308100 643649157 /nfs/dbraw/zinc/64/91/57/643649157.db2.gz BCTGPQUEGVXYRV-QGZVFWFLSA-N 2 0 286.419 2.096 20 30 CEEDRP C=CC(C)(C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000873279993 649623263 /nfs/dbraw/zinc/62/32/63/649623263.db2.gz OCKRGLVFPOZSPP-BFHYXJOUSA-N 2 0 254.418 2.321 20 30 CEEDRP CC(C)C[N@H+](CCO[C@@H](C)C#N)CC1CC[NH+](C)CC1 ZINC000879703743 651341438 /nfs/dbraw/zinc/34/14/38/651341438.db2.gz VQXNADCJKAGLRL-HNNXBMFYSA-N 2 0 281.444 2.215 20 30 CEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001271075289 805734744 /nfs/dbraw/zinc/73/47/44/805734744.db2.gz LXGDBMLEUSTQFY-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001088279219 806081705 /nfs/dbraw/zinc/08/17/05/806081705.db2.gz NFFZCEPELGULNR-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)[C@H]1C ZINC001088605439 806505439 /nfs/dbraw/zinc/50/54/39/806505439.db2.gz SRYOZCCPEMWAPS-OWCLPIDISA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345224 806667321 /nfs/dbraw/zinc/66/73/21/806667321.db2.gz KSIPRCXLLUAEJO-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CC[NH2+]CC1(CCNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001167179785 802560854 /nfs/dbraw/zinc/56/08/54/802560854.db2.gz RCFHABDLLUELIR-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C#CCCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000705931274 802592170 /nfs/dbraw/zinc/59/21/70/802592170.db2.gz QLGXGYXJSGZIHH-ROUUACIJSA-N 2 0 268.404 2.464 20 30 CEEDRP C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758265 802883039 /nfs/dbraw/zinc/88/30/39/802883039.db2.gz PQCVPWWXAIQAGO-INIZCTEOSA-N 2 0 295.471 2.123 20 30 CEEDRP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266813532 802917127 /nfs/dbraw/zinc/91/71/27/802917127.db2.gz VDIHMAQNKGDGIL-INIZCTEOSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896093 813172566 /nfs/dbraw/zinc/17/25/66/813172566.db2.gz CFOHKFQOCLYEDR-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299753 813401881 /nfs/dbraw/zinc/40/18/81/813401881.db2.gz ZOZJZFCQCHZFNC-HUUCEWRRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001268138770 804481265 /nfs/dbraw/zinc/48/12/65/804481265.db2.gz CSKRJRWLBCUQRP-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268499069 804768441 /nfs/dbraw/zinc/76/84/41/804768441.db2.gz FFASBFMEZBECKH-MRXNPFEDSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268876516 804992797 /nfs/dbraw/zinc/99/27/97/804992797.db2.gz JUSYKYOCOJMKCN-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001269402149 805154262 /nfs/dbraw/zinc/15/42/62/805154262.db2.gz JDHPGBROOIVHBO-HZPDHXFCSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1CCCC1 ZINC001270404006 805428164 /nfs/dbraw/zinc/42/81/64/805428164.db2.gz QTDLFSBEAKXWQZ-HOTGVXAUSA-N 2 0 295.471 2.023 20 30 CEEDRP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1CCCC1 ZINC001270415282 805433523 /nfs/dbraw/zinc/43/35/23/805433523.db2.gz SCBRYFZJONJJES-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001121991742 815374568 /nfs/dbraw/zinc/37/45/68/815374568.db2.gz ZKHYUFCEKDDEIQ-CVEARBPZSA-N 2 0 295.471 2.298 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724152 810892559 /nfs/dbraw/zinc/89/25/59/810892559.db2.gz OQAAJDUZXJNREP-MRXNPFEDSA-N 2 0 298.390 2.057 20 30 CEEDRP CC[NH+]1CCC(NC(=[NH2+])c2ccc(C)c(C)c2)CC1 ZINC001169240565 811458167 /nfs/dbraw/zinc/45/81/67/811458167.db2.gz AFWWMKALDGZDOS-UHFFFAOYSA-N 2 0 259.397 2.493 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809112 811675727 /nfs/dbraw/zinc/67/57/27/811675727.db2.gz FHECLTBYHATUET-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP CCCCCCC[NH+]1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001113300738 812212655 /nfs/dbraw/zinc/21/26/55/812212655.db2.gz ABYZBFKRAMIOST-UHFFFAOYSA-N 2 0 283.460 2.053 20 30 CEEDRP C=CCCC[NH+]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001113341473 812224858 /nfs/dbraw/zinc/22/48/58/812224858.db2.gz YNMXGZOBWKXHRG-MRXNPFEDSA-N 2 0 295.471 2.217 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157886476 812513060 /nfs/dbraw/zinc/51/30/60/812513060.db2.gz HWSDKCVDWJFFNI-CVEARBPZSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132269549 812816914 /nfs/dbraw/zinc/81/69/14/812816914.db2.gz LVIFPZLFXWGYNQ-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C(=O)OCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173103504 815580388 /nfs/dbraw/zinc/58/03/88/815580388.db2.gz JSFXTGMDWFBKHY-UHFFFAOYSA-N 2 0 282.428 2.348 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@H]2CC[C@H](C)C[NH2+]2)CC1 ZINC001246106888 813699281 /nfs/dbraw/zinc/69/92/81/813699281.db2.gz QLDKCPYMIZCTDG-JWMHWRSXSA-N 2 0 266.429 2.478 20 30 CEEDRP C[Si](C)(C)C#C[NH2+]Cc1ccccc1N1CC[NH2+]CC1 ZINC001171281517 814304380 /nfs/dbraw/zinc/30/43/80/814304380.db2.gz FZCXELWMJBMJIT-UHFFFAOYSA-N 2 0 287.483 2.024 20 30 CEEDRP CC(C)(C)[NH+]1CCC(NC(=[NH2+])c2ccc(F)cn2)CC1 ZINC001256561572 814471110 /nfs/dbraw/zinc/47/11/10/814471110.db2.gz KSCLHPCQNDQMBR-UHFFFAOYSA-N 2 0 278.375 2.189 20 30 CEEDRP C[NH+](C)CCCN(CCC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173589251 815753604 /nfs/dbraw/zinc/75/36/04/815753604.db2.gz YSILVGZXXZDNAF-UHFFFAOYSA-N 2 0 280.460 2.061 20 30 CEEDRP CC[N@H+]1C[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)C[C@@H]2C1 ZINC001173597561 815756464 /nfs/dbraw/zinc/75/64/64/815756464.db2.gz YHCPBJBNQVIVRZ-PJPHBNEVSA-N 2 0 261.413 2.342 20 30 CEEDRP CCN(CCC#N)Cc1ccccc1N1CC[NH+](C)CC1 ZINC001140972809 816427827 /nfs/dbraw/zinc/42/78/27/816427827.db2.gz ABBQSCDPRDTUQY-UHFFFAOYSA-N 2 0 286.423 2.174 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001178701980 816788474 /nfs/dbraw/zinc/78/84/74/816788474.db2.gz HQNKLHGCSKWCJG-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H]1C ZINC001179337138 816855993 /nfs/dbraw/zinc/85/59/93/816855993.db2.gz JBBCHJREKWPXRB-JYJNAYRXSA-N 2 0 293.455 2.016 20 30 CEEDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336392805 365567998 /nfs/dbraw/zinc/56/79/98/365567998.db2.gz HCOVMFLFWVEZTL-KRWDZBQOSA-N 2 0 267.376 2.397 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000126806833 365724129 /nfs/dbraw/zinc/72/41/29/365724129.db2.gz GEESJIVVNSNZGU-MRXNPFEDSA-N 2 0 266.429 2.121 20 30 CEEDRP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602512788 347062734 /nfs/dbraw/zinc/06/27/34/347062734.db2.gz ZCDOKGYUPDXOAP-HNNXBMFYSA-N 2 0 281.444 2.405 20 30 CEEDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCCSCC#N)C2 ZINC000595508148 345799046 /nfs/dbraw/zinc/79/90/46/345799046.db2.gz UMGXHYVBGRIMCA-AWEZNQCLSA-N 2 0 267.442 2.051 20 30 CEEDRP C[NH+](C)CCC[C@@H]1CN(Cc2ccccc2C#N)CCO1 ZINC000595904877 345910613 /nfs/dbraw/zinc/91/06/13/345910613.db2.gz NLCATCAFOLGNHB-QGZVFWFLSA-N 2 0 287.407 2.101 20 30 CEEDRP Cc1cc(NCC2CC[NH+](CC3CC3)CC2)c(C#N)cn1 ZINC000596563736 346056054 /nfs/dbraw/zinc/05/60/54/346056054.db2.gz UJRHJZQCXRHFBE-UHFFFAOYSA-N 2 0 284.407 2.218 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000596651891 346072007 /nfs/dbraw/zinc/07/20/07/346072007.db2.gz RLUUPQOAVJJDQF-RRFJBIMHSA-N 2 0 284.469 2.042 20 30 CEEDRP CCC[NH+]1CCC([N@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598591976 346379451 /nfs/dbraw/zinc/37/94/51/346379451.db2.gz CXXWBWGHNWQRAV-OAHLLOKOSA-N 2 0 281.444 2.093 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000598683293 346400404 /nfs/dbraw/zinc/40/04/04/346400404.db2.gz REDFTAHRMNJEMQ-KSZLIROESA-N 2 0 299.418 2.277 20 30 CEEDRP CC[NH+](CC)CC[C@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000603433577 347369226 /nfs/dbraw/zinc/36/92/26/347369226.db2.gz UCTZGSGAIJLWMQ-HWOWSKLDSA-N 2 0 281.444 2.141 20 30 CEEDRP C=CCC[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007883 363434406 /nfs/dbraw/zinc/43/44/06/363434406.db2.gz TUYNWMSZBVFUCD-UHFFFAOYSA-N 2 0 254.418 2.385 20 30 CEEDRP C=CC[NH+](C)CCN(CC)CC[C@H]1CCCC[N@@H+]1C ZINC000582406630 366907947 /nfs/dbraw/zinc/90/79/47/366907947.db2.gz XLSJHPGHLIJKCK-MRXNPFEDSA-N 2 0 267.461 2.301 20 30 CEEDRP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343550860 367878610 /nfs/dbraw/zinc/87/86/10/367878610.db2.gz LOHYRTCRUINHMZ-MRXNPFEDSA-N 2 0 257.381 2.136 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000345320433 368234214 /nfs/dbraw/zinc/23/42/14/368234214.db2.gz PWOQPGDSDACBGZ-MRXNPFEDSA-N 2 0 295.471 2.264 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000180548733 368386520 /nfs/dbraw/zinc/38/65/20/368386520.db2.gz QPPBFCYCAHOIJZ-PBHICJAKSA-N 2 0 287.407 2.409 20 30 CEEDRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CCOc1ccc(C#N)cc1 ZINC000358202749 370949838 /nfs/dbraw/zinc/94/98/38/370949838.db2.gz NAAUCACVQRJVIY-GUYCJALGSA-N 2 0 285.391 2.009 20 30 CEEDRP C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000186710500 369025054 /nfs/dbraw/zinc/02/50/54/369025054.db2.gz SJDPJVVBZGVRIN-ZFWWWQNUSA-N 2 0 271.364 2.460 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000227328563 370366717 /nfs/dbraw/zinc/36/67/17/370366717.db2.gz DNQANZINEIIMCE-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP C=C(CC)C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000358618908 371141283 /nfs/dbraw/zinc/14/12/83/371141283.db2.gz XZWUFVJDNZLMMN-RRFJBIMHSA-N 2 0 252.402 2.136 20 30 CEEDRP C=CCC1([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCOCC1 ZINC000639313929 371219828 /nfs/dbraw/zinc/21/98/28/371219828.db2.gz BJXUJOWYTPGYCD-ZIAGYGMSSA-N 2 0 252.402 2.184 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261603819 371673150 /nfs/dbraw/zinc/67/31/50/371673150.db2.gz AHQVIGIJKXWXMM-INIZCTEOSA-N 2 0 260.381 2.422 20 30 CEEDRP C=CCCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000365303302 372823863 /nfs/dbraw/zinc/82/38/63/372823863.db2.gz WUVPULODEDIEGF-UHFFFAOYSA-N 2 0 266.429 2.387 20 30 CEEDRP C=CC[C@H](CC)[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000644638946 373576907 /nfs/dbraw/zinc/57/69/07/373576907.db2.gz LNFUDHNACXQQGM-IRXDYDNUSA-N 2 0 276.424 2.424 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374006536 374465938 /nfs/dbraw/zinc/46/59/38/374465938.db2.gz UOOQMJPMTPUMGQ-QGZVFWFLSA-N 2 0 286.423 2.199 20 30 CEEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C#N)cc1 ZINC000422977743 376901094 /nfs/dbraw/zinc/90/10/94/376901094.db2.gz XOHCPAKUDHNUMH-AEZOWIDVSA-N 2 0 255.365 2.492 20 30 CEEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC000423003579 376922500 /nfs/dbraw/zinc/92/25/00/376922500.db2.gz HZTSXGOABXORQM-YGOACVGDSA-N 2 0 255.365 2.492 20 30 CEEDRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@@H](C)O1 ZINC000442793720 377996323 /nfs/dbraw/zinc/99/63/23/377996323.db2.gz OLKVOHUXCXERTF-KLHDSHLOSA-N 2 0 279.428 2.158 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000333864118 380166467 /nfs/dbraw/zinc/16/64/67/380166467.db2.gz QQIIYWOACDIDJS-ROUUACIJSA-N 2 0 299.418 2.277 20 30 CEEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCSCC#N)C1 ZINC000336803432 262395665 /nfs/dbraw/zinc/39/56/65/262395665.db2.gz YLJVRKRPJPAGCO-HNNXBMFYSA-N 2 0 281.469 2.297 20 30 CEEDRP Cn1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C#N ZINC000191095455 130182721 /nfs/dbraw/zinc/18/27/21/130182721.db2.gz XAKCCIQFVNIFGS-HNNXBMFYSA-N 2 0 276.428 2.353 20 30 CEEDRP C=CCOc1ccc(CN2CCC[C@H]2C[NH2+]C)cc1 ZINC000347004578 395116243 /nfs/dbraw/zinc/11/62/43/395116243.db2.gz ADSAXFHIRXFSRP-HNNXBMFYSA-N 2 0 260.381 2.435 20 30 CEEDRP C#Cc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000290487850 395106068 /nfs/dbraw/zinc/10/60/68/395106068.db2.gz VTPQMEYPNFPTND-DLBZAZTESA-N 2 0 254.377 2.194 20 30 CEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000350331415 395184886 /nfs/dbraw/zinc/18/48/86/395184886.db2.gz QNNBHNCIFZIAPZ-HNNXBMFYSA-N 2 0 267.417 2.113 20 30 CEEDRP C=C(C)COCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353616947 395303235 /nfs/dbraw/zinc/30/32/35/395303235.db2.gz CFKDXUGXDVZHSL-KFWWJZLASA-N 2 0 252.402 2.042 20 30 CEEDRP C[NH+](C)CCCC(C)(C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000449527219 395553069 /nfs/dbraw/zinc/55/30/69/395553069.db2.gz GXIXLODOKASDQT-UHFFFAOYSA-N 2 0 299.422 2.416 20 30 CEEDRP C=CCCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000569899638 395580904 /nfs/dbraw/zinc/58/09/04/395580904.db2.gz GMLNRHMDSLDYQA-IAGOWNOFSA-N 2 0 279.472 2.301 20 30 CEEDRP C=C[C@H](CO)[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662168803 415667474 /nfs/dbraw/zinc/66/74/74/415667474.db2.gz VPIAESFCPAMUBJ-QGZVFWFLSA-N 2 0 274.408 2.309 20 30 CEEDRP C=CC[C@]1(C(=O)NCC[NH2+]C2CCCCCC2)CCC[NH2+]1 ZINC000662423494 415836965 /nfs/dbraw/zinc/83/69/65/415836965.db2.gz XQGBQALJLFTEPI-QGZVFWFLSA-N 2 0 293.455 2.113 20 30 CEEDRP C=CC[C@@]1(C(=O)NCC2([NH+](C)C)CCCCC2)CCC[NH2+]1 ZINC000662442307 415846574 /nfs/dbraw/zinc/84/65/74/415846574.db2.gz KIDNKYZUYRMETN-KRWDZBQOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[C@]1(C(=O)N(CC)CCC[NH+](CC)CC)CCC[NH2+]1 ZINC000662794628 415963635 /nfs/dbraw/zinc/96/36/35/415963635.db2.gz PEXUKHGUIIMQFD-QGZVFWFLSA-N 2 0 295.471 2.265 20 30 CEEDRP COc1ccc(NC(=[NH2+])NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000264069217 262863510 /nfs/dbraw/zinc/86/35/10/262863510.db2.gz CRSFFSNMRRBAHD-ZDUSSCGKSA-N 2 0 290.411 2.154 20 30 CEEDRP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000273376218 263016141 /nfs/dbraw/zinc/01/61/41/263016141.db2.gz WSHUULBHGCDFLJ-UHFFFAOYSA-N 2 0 288.439 2.437 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288807551 263106250 /nfs/dbraw/zinc/10/62/50/263106250.db2.gz ZZSZCPXFZIMKOO-LLVKDONJSA-N 2 0 296.365 2.423 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)C[NH+](C)C)c1 ZINC000291909242 263126540 /nfs/dbraw/zinc/12/65/40/263126540.db2.gz LXANJVPLKNVSGK-ZDUSSCGKSA-N 2 0 262.401 2.228 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415042609 263257357 /nfs/dbraw/zinc/25/73/57/263257357.db2.gz RCWHHPXJOJBJKQ-HIFRSBDPSA-N 2 0 260.381 2.468 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)cc(OC)c1O ZINC000415039322 263257324 /nfs/dbraw/zinc/25/73/24/263257324.db2.gz NWVHBNAGUWGJIT-WFASDCNBSA-N 2 0 290.407 2.346 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414945999 328279002 /nfs/dbraw/zinc/27/90/02/328279002.db2.gz JCQVUCRFZFUPEJ-HIFRSBDPSA-N 2 0 260.381 2.482 20 30 CEEDRP CC[NH+]=C(NCC1CCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262427126 330009778 /nfs/dbraw/zinc/00/97/78/330009778.db2.gz CXBRNRIAWIPXQR-INIZCTEOSA-N 2 0 292.471 2.312 20 30 CEEDRP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)N1CCCCCC1 ZINC000262492312 330017425 /nfs/dbraw/zinc/01/74/25/330017425.db2.gz VHHSJIQRJLBVQA-UHFFFAOYSA-N 2 0 278.444 2.194 20 30 CEEDRP C=CCSCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422944625 330162049 /nfs/dbraw/zinc/16/20/49/330162049.db2.gz LQNMWOMTSWQWIE-UKRRQHHQSA-N 2 0 264.438 2.454 20 30 CEEDRP C=CC(C)(C)C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423147396 330172878 /nfs/dbraw/zinc/17/28/78/330172878.db2.gz COCHXNRHNHWGGF-ZDUSSCGKSA-N 2 0 282.428 2.110 20 30 CEEDRP C=CCC[C@@H](CCC)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423174650 330174733 /nfs/dbraw/zinc/17/47/33/330174733.db2.gz BPSUKRQGJKTBNT-OAHLLOKOSA-N 2 0 253.434 2.006 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]C[C@@]1(COC)CCC[NH2+]1 ZINC000423409194 330197125 /nfs/dbraw/zinc/19/71/25/330197125.db2.gz BJGSWVXHDNJWCB-LSDHHAIUSA-N 2 0 254.418 2.480 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000449124967 330900487 /nfs/dbraw/zinc/90/04/87/330900487.db2.gz RFGAEVVQUKSFTL-HNNXBMFYSA-N 2 0 268.445 2.415 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000491666758 332275103 /nfs/dbraw/zinc/27/51/03/332275103.db2.gz XEULZFVKWCFOOK-HNNXBMFYSA-N 2 0 298.434 2.429 20 30 CEEDRP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000948040443 613271232 /nfs/dbraw/zinc/27/12/32/613271232.db2.gz QAAIGQJSXDNOLY-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC000968920438 613684309 /nfs/dbraw/zinc/68/43/09/613684309.db2.gz VEZIRGOVCIKAAK-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP CCCNC(=[NH2+])NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000104167586 624319839 /nfs/dbraw/zinc/31/98/39/624319839.db2.gz GGSAYQJBZMOIFZ-INIZCTEOSA-N 2 0 288.439 2.138 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000051814373 624595030 /nfs/dbraw/zinc/59/50/30/624595030.db2.gz BRQXJQJHEIUYFR-UHFFFAOYSA-N 2 0 256.393 2.360 20 30 CEEDRP C#CC[N@@H+](C)CCCNC1CC[NH+](CCC(C)C)CC1 ZINC000926490642 624925550 /nfs/dbraw/zinc/92/55/50/624925550.db2.gz PSLVLWTVBKLAOH-UHFFFAOYSA-N 2 0 279.472 2.042 20 30 CEEDRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)C1 ZINC000902405154 634640182 /nfs/dbraw/zinc/64/01/82/634640182.db2.gz JAMJOOSYRFIGOD-DLBZAZTESA-N 2 0 283.419 2.393 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925702428 628541120 /nfs/dbraw/zinc/54/11/20/628541120.db2.gz CUQOLCAPNYBCDM-FQUUOJAGSA-N 2 0 252.402 2.073 20 30 CEEDRP CC1(C#N)CCC([NH2+]CCCCCN2CC[NH2+]CC2)CC1 ZINC000925845753 628947947 /nfs/dbraw/zinc/94/79/47/628947947.db2.gz INNOLCQYBFBORJ-UHFFFAOYSA-N 2 0 292.471 2.124 20 30 CEEDRP CC[NH+](CC)[C@H](CNC(=[NH2+])NC(C)(C)C)CC(C)C ZINC000303776199 629116489 /nfs/dbraw/zinc/11/64/89/629116489.db2.gz HQHBIXSINLJXHI-ZDUSSCGKSA-N 2 0 270.465 2.446 20 30 CEEDRP [NH2+]=C(NCCC[NH+]1CCCCCC1)NC1CCCCC1 ZINC000303786376 629665546 /nfs/dbraw/zinc/66/55/46/629665546.db2.gz RINJERNQAXWXQD-UHFFFAOYSA-N 2 0 280.460 2.490 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCC(C)CC1 ZINC000303255134 631078953 /nfs/dbraw/zinc/07/89/53/631078953.db2.gz GANWGKUBPNCNAT-CQSZACIVSA-N 2 0 268.449 2.201 20 30 CEEDRP C=CC[N@@H+](C)C1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC000985494877 631107406 /nfs/dbraw/zinc/10/74/06/631107406.db2.gz JJORYBRGSDTQFZ-UHFFFAOYSA-N 2 0 298.390 2.285 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC000987572535 631428045 /nfs/dbraw/zinc/42/80/45/631428045.db2.gz UNUDARIQCQPIEM-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C#Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000809573579 632102143 /nfs/dbraw/zinc/10/21/43/632102143.db2.gz QSUQZUNXLUTCOT-UHFFFAOYSA-N 2 0 286.419 2.211 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1CCCC ZINC000900469154 633734178 /nfs/dbraw/zinc/73/41/78/633734178.db2.gz ZTJHJKKJMBULTG-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP COc1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1C#N ZINC000817915975 633774826 /nfs/dbraw/zinc/77/48/26/633774826.db2.gz SQWHLFZHCYRMGP-GFCCVEGCSA-N 2 0 261.369 2.174 20 30 CEEDRP C=CCCCCC[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000817982974 633826695 /nfs/dbraw/zinc/82/66/95/633826695.db2.gz XCRIWCUAKADZEC-HUUCEWRRSA-N 2 0 254.418 2.480 20 30 CEEDRP N#CC1(CCCC[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000903788326 635271502 /nfs/dbraw/zinc/27/15/02/635271502.db2.gz IQXUFSMJSDYSME-LSDHHAIUSA-N 2 0 261.413 2.392 20 30 CEEDRP C=CC[C@H]1CCC[N@@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903933798 635359254 /nfs/dbraw/zinc/35/92/54/635359254.db2.gz VNOUTHNHCLNKGH-JKSUJKDBSA-N 2 0 290.455 2.134 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904410659 635616358 /nfs/dbraw/zinc/61/63/58/635616358.db2.gz QQOVOOZNHNIFQD-AWEZNQCLSA-N 2 0 260.381 2.422 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CCC[NH+](CC)CC ZINC000876708422 650407649 /nfs/dbraw/zinc/40/76/49/650407649.db2.gz PUKJBZLMWBWDMV-CHWSQXEVSA-N 2 0 289.851 2.083 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N(C)C1CC[NH2+]CC1 ZINC000911691594 638360956 /nfs/dbraw/zinc/36/09/56/638360956.db2.gz CBGSZDYGJKVXKF-OAHLLOKOSA-N 2 0 283.460 2.275 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708296 638384390 /nfs/dbraw/zinc/38/43/90/638384390.db2.gz VPXKZNNGXNCDRD-LSDHHAIUSA-N 2 0 283.460 2.262 20 30 CEEDRP CC(C)[NH+]=C(NC[C@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912509493 638714127 /nfs/dbraw/zinc/71/41/27/638714127.db2.gz IFIDNOIUEYWESR-CQSZACIVSA-N 2 0 282.476 2.459 20 30 CEEDRP CON=Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000915958032 640708003 /nfs/dbraw/zinc/70/80/03/640708003.db2.gz IMMDRAUZOZAYIB-UHFFFAOYSA-N 2 0 267.760 2.072 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NCC1(C[NH+](C)C)CCCC1 ZINC000183646641 641775565 /nfs/dbraw/zinc/77/55/65/641775565.db2.gz LGSSCQQPKFCGLP-UHFFFAOYSA-N 2 0 292.427 2.067 20 30 CEEDRP C=CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849048949 642257111 /nfs/dbraw/zinc/25/71/11/642257111.db2.gz JMXJSUQLITUXGV-AWEZNQCLSA-N 2 0 266.433 2.331 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999403045 642487192 /nfs/dbraw/zinc/48/71/92/642487192.db2.gz ULBFKXUEDHZVIE-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003158955 642918806 /nfs/dbraw/zinc/91/88/06/642918806.db2.gz KPBSPXPRDGKDHM-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@H]1CC2(C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1)CC[NH2+]CC2 ZINC000923382578 643688352 /nfs/dbraw/zinc/68/83/52/643688352.db2.gz DDRHHFZJVDPCIL-WMLDXEAASA-N 2 0 299.418 2.056 20 30 CEEDRP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923386727 643692678 /nfs/dbraw/zinc/69/26/78/643692678.db2.gz APYUKZSSMLQNBK-RBSFLKMASA-N 2 0 254.418 2.153 20 30 CEEDRP CC[C@H](C)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000790183669 644383309 /nfs/dbraw/zinc/38/33/09/644383309.db2.gz UQWQASGBCCDLMK-AWEZNQCLSA-N 2 0 274.412 2.160 20 30 CEEDRP N#Cc1ccccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000857083391 644811942 /nfs/dbraw/zinc/81/19/42/644811942.db2.gz CHJHIFHKBYSMNH-UHFFFAOYSA-N 2 0 255.365 2.134 20 30 CEEDRP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000877968836 650961558 /nfs/dbraw/zinc/96/15/58/650961558.db2.gz RIFKUZYZORZIPY-HNNXBMFYSA-N 2 0 282.428 2.158 20 30 CEEDRP C#CCCCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000878287760 651054330 /nfs/dbraw/zinc/05/43/30/651054330.db2.gz IOCQDGMVDLMRCO-GVDBMIGSSA-N 2 0 278.440 2.364 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247759 649607889 /nfs/dbraw/zinc/60/78/89/649607889.db2.gz TZUBOFQJFDSNHB-ZIAGYGMSSA-N 2 0 299.422 2.416 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290651 649628965 /nfs/dbraw/zinc/62/89/65/649628965.db2.gz FMJNXEIEFTUAFX-GJZGRUSLSA-N 2 0 266.429 2.480 20 30 CEEDRP CC1(C#N)CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873295096 649631387 /nfs/dbraw/zinc/63/13/87/649631387.db2.gz ZCDCLNMTBPIABT-HWOWSKLDSA-N 2 0 291.439 2.207 20 30 CEEDRP C[C@@H](C#N)OCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516898 651454302 /nfs/dbraw/zinc/45/43/02/651454302.db2.gz CWFCLSYCWBKIMQ-HNNXBMFYSA-N 2 0 267.417 2.113 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001210789653 802734830 /nfs/dbraw/zinc/73/48/30/802734830.db2.gz PTBZROXKWYLXNS-INIZCTEOSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267418618 803460490 /nfs/dbraw/zinc/46/04/90/803460490.db2.gz MAAFLOVHLDNHBM-JYJNAYRXSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267607924 803609308 /nfs/dbraw/zinc/60/93/08/803609308.db2.gz OOVDPJUFZKNZDG-PMPSAXMXSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001027562381 804125485 /nfs/dbraw/zinc/12/54/85/804125485.db2.gz NUMARDCYGWVVRZ-HZPDHXFCSA-N 2 0 295.471 2.072 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001027879040 804313477 /nfs/dbraw/zinc/31/34/77/804313477.db2.gz LYHPPOVXBKFGMW-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001268697889 804931672 /nfs/dbraw/zinc/93/16/72/804931672.db2.gz UBBRDRUUQRKMKI-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP N#C[C@@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387701 807044891 /nfs/dbraw/zinc/04/48/91/807044891.db2.gz QJQOMLRIKMTZIY-CQSZACIVSA-N 2 0 261.413 2.486 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001269308444 805121834 /nfs/dbraw/zinc/12/18/34/805121834.db2.gz CAAPZWGSLPZFNQ-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001269461289 805171678 /nfs/dbraw/zinc/17/16/78/805171678.db2.gz RQLOWCQKEAUVPI-GOEBONIOSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001269981121 805301652 /nfs/dbraw/zinc/30/16/52/805301652.db2.gz JVBADJLXSGIAIF-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001270248779 805382305 /nfs/dbraw/zinc/38/23/05/805382305.db2.gz KFHKKJSFIQLBJY-HNNXBMFYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001033887811 809444090 /nfs/dbraw/zinc/44/40/90/809444090.db2.gz PFXLVZPCMALUED-HNNXBMFYSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001034205771 809547837 /nfs/dbraw/zinc/54/78/37/809547837.db2.gz YGWFLNXZZULTNA-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCN2C)C1 ZINC001034269242 809567467 /nfs/dbraw/zinc/56/74/67/809567467.db2.gz CTIBJIDUNQMFNO-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034308413 809575254 /nfs/dbraw/zinc/57/52/54/809575254.db2.gz BGQLMOLBBPZPJG-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(C)C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034400284 809600766 /nfs/dbraw/zinc/60/07/66/809600766.db2.gz XIAYXQHAJYCQLR-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC001121974228 815373732 /nfs/dbraw/zinc/37/37/32/815373732.db2.gz GQRVRZYDGMMXKL-OAHLLOKOSA-N 2 0 281.444 2.052 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122384718 815407930 /nfs/dbraw/zinc/40/79/30/815407930.db2.gz QEOJBGPNDVNUEQ-BYNSBNAKSA-N 2 0 281.444 2.073 20 30 CEEDRP C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109864929 811962191 /nfs/dbraw/zinc/96/21/91/811962191.db2.gz BOSQEKNSVIJMBT-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129423048 812492536 /nfs/dbraw/zinc/49/25/36/812492536.db2.gz OPERMETWIVNQIO-HOTGVXAUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001135475972 813446237 /nfs/dbraw/zinc/44/62/37/813446237.db2.gz HMKUDDITVGMCBT-GJZGRUSLSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001135788461 813524482 /nfs/dbraw/zinc/52/44/82/813524482.db2.gz FTFXZNAHKKHVHV-HZPDHXFCSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001074686195 813843624 /nfs/dbraw/zinc/84/36/24/813843624.db2.gz YCNMJEGOGWESGT-XHSDSOJGSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001099214679 813995889 /nfs/dbraw/zinc/99/58/89/813995889.db2.gz LZZLUBXEZVDGOT-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101039590 814215233 /nfs/dbraw/zinc/21/52/33/814215233.db2.gz SYOOCOUKUJUMEP-QQFBHYJXSA-N 2 0 295.471 2.166 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701716 814305196 /nfs/dbraw/zinc/30/51/96/814305196.db2.gz OLJTXHOSXCNQKQ-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367492 814672324 /nfs/dbraw/zinc/67/23/24/814672324.db2.gz NUBHZTMGZAOWPR-GJZGRUSLSA-N 2 0 283.460 2.023 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001171367491 814672341 /nfs/dbraw/zinc/67/23/41/814672341.db2.gz NUBHZTMGZAOWPR-CABCVRRESA-N 2 0 283.460 2.023 20 30 CEEDRP CC[N@@H+]1CC[C@H](NC(=[NH2+])c2ccc3ccccc3n2)C1 ZINC001173358567 815699437 /nfs/dbraw/zinc/69/94/37/815699437.db2.gz KITNJUWQJDUUPW-ZDUSSCGKSA-N 2 0 268.364 2.034 20 30 CEEDRP C[NH+](C)CCCN1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173599912 815758786 /nfs/dbraw/zinc/75/87/86/815758786.db2.gz SSDANMZUGORMES-UHFFFAOYSA-N 2 0 292.471 2.028 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001176739818 816464558 /nfs/dbraw/zinc/46/45/58/816464558.db2.gz ZYEYJPJQSMHNFC-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001179308693 816848810 /nfs/dbraw/zinc/84/88/10/816848810.db2.gz KIZYWRQBDNWJGW-YHUYYLMFSA-N 2 0 293.455 2.014 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334983 346823657 /nfs/dbraw/zinc/82/36/57/346823657.db2.gz PSKCJFDHDYVXOE-DLBZAZTESA-N 2 0 269.392 2.175 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000601334984 346823674 /nfs/dbraw/zinc/82/36/74/346823674.db2.gz PSKCJFDHDYVXOE-IAGOWNOFSA-N 2 0 269.392 2.175 20 30 CEEDRP Cc1cc(C#N)ccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000312736624 344739908 /nfs/dbraw/zinc/73/99/08/344739908.db2.gz UJOAWKNNUFGRKV-KRWDZBQOSA-N 2 0 269.392 2.394 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000602568983 347081781 /nfs/dbraw/zinc/08/17/81/347081781.db2.gz QBUAOLYVPADQBS-PVAVHDDUSA-N 2 0 293.455 2.284 20 30 CEEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000401167642 344867123 /nfs/dbraw/zinc/86/71/23/344867123.db2.gz VRDQDLZYZQVTIN-BZUAXINKSA-N 2 0 255.365 2.036 20 30 CEEDRP Cc1cccc2nc(CC[NH2+]Cc3nc(C#N)cs3)cn21 ZINC000592378917 345348187 /nfs/dbraw/zinc/34/81/87/345348187.db2.gz GLYOORDTAAWMNM-UHFFFAOYSA-N 2 0 297.387 2.303 20 30 CEEDRP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc1 ZINC000594462313 345636008 /nfs/dbraw/zinc/63/60/08/345636008.db2.gz CTIJBPSPZLZRIN-OAHLLOKOSA-N 2 0 288.395 2.098 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623087475 349934303 /nfs/dbraw/zinc/93/43/03/349934303.db2.gz TYMGPSHHPXMNBG-CVEARBPZSA-N 2 0 267.461 2.204 20 30 CEEDRP C[NH2+]CC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595894980 345908268 /nfs/dbraw/zinc/90/82/68/345908268.db2.gz ZTKWLAOBXGCLPO-UHFFFAOYSA-N 2 0 257.381 2.032 20 30 CEEDRP N#Cc1cccc(C2([NH2+]CC[C@H]3CC[NH2+]C3)CCOCC2)c1 ZINC000595909387 345911716 /nfs/dbraw/zinc/91/17/16/345911716.db2.gz MGQYJXIIWDQFBR-OAHLLOKOSA-N 2 0 299.418 2.153 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097537 345939518 /nfs/dbraw/zinc/93/95/18/345939518.db2.gz YUKPFOAOKBETHQ-OAGGEKHMSA-N 2 0 261.413 2.390 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000596651910 346071992 /nfs/dbraw/zinc/07/19/92/346071992.db2.gz RYRQODOPSGSBLX-IXDOHACOSA-N 2 0 269.392 2.078 20 30 CEEDRP CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000598595052 346380630 /nfs/dbraw/zinc/38/06/30/346380630.db2.gz MIMHPUNKCUIUOC-HOTGVXAUSA-N 2 0 293.455 2.095 20 30 CEEDRP CCCC[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598722013 346408088 /nfs/dbraw/zinc/40/80/88/346408088.db2.gz YHPKYAUQOMJFCN-OAHLLOKOSA-N 2 0 281.444 2.141 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000602606009 347097298 /nfs/dbraw/zinc/09/72/98/347097298.db2.gz NBKQNKBJOJJWTI-HNNXBMFYSA-N 2 0 293.455 2.407 20 30 CEEDRP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2-n2ccnc2)CC1 ZINC000600730410 346680215 /nfs/dbraw/zinc/68/02/15/346680215.db2.gz FYSDPEPLKJEZOX-OAHLLOKOSA-N 2 0 296.374 2.017 20 30 CEEDRP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000610994068 347728771 /nfs/dbraw/zinc/72/87/71/347728771.db2.gz TWDZPOFUIFFTBW-MRXNPFEDSA-N 2 0 284.407 2.117 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623512474 350038138 /nfs/dbraw/zinc/03/81/38/350038138.db2.gz IZLSSQNSVBAXFA-KKUMJFAQSA-N 2 0 266.429 2.430 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623540157 350044950 /nfs/dbraw/zinc/04/49/50/350044950.db2.gz NNNRGOUSDBTKFY-MCIONIFRSA-N 2 0 252.402 2.182 20 30 CEEDRP FC(F)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000671242498 540025155 /nfs/dbraw/zinc/02/51/55/540025155.db2.gz DLFITQXATVUPRG-VXGBXAGGSA-N 2 0 292.320 2.164 20 30 CEEDRP C[N@H+](CCCSCC#N)CC[C@H]1CCCC[NH+]1C ZINC000080629383 363675800 /nfs/dbraw/zinc/67/58/00/363675800.db2.gz LJDDMAYNIZSVOG-CQSZACIVSA-N 2 0 269.458 2.439 20 30 CEEDRP COCC#CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677817969 541046624 /nfs/dbraw/zinc/04/66/24/541046624.db2.gz XAAAOOMKYDOLQQ-UHFFFAOYSA-N 2 0 278.440 2.224 20 30 CEEDRP C=C(C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000104087631 364676156 /nfs/dbraw/zinc/67/61/56/364676156.db2.gz WNDVBUKHRIJXCH-UHFFFAOYSA-N 2 0 287.451 2.312 20 30 CEEDRP CC(C)(CCC#N)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119545467 365289081 /nfs/dbraw/zinc/28/90/81/365289081.db2.gz MXKKHFGXGVQJTF-UHFFFAOYSA-N 2 0 292.471 2.030 20 30 CEEDRP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181675099 368481441 /nfs/dbraw/zinc/48/14/41/368481441.db2.gz GZYBBELSWOIRAX-RHSMWYFYSA-N 2 0 287.407 2.320 20 30 CEEDRP C=CCc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1O ZINC000346636921 368745483 /nfs/dbraw/zinc/74/54/83/368745483.db2.gz IFOPCEMGQOEHHA-WFASDCNBSA-N 2 0 290.407 2.298 20 30 CEEDRP C=CCOCCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000348061339 368880530 /nfs/dbraw/zinc/88/05/30/368880530.db2.gz YIKDTBQJDRIUBK-OAHLLOKOSA-N 2 0 254.418 2.385 20 30 CEEDRP C=CCCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000635020878 369057509 /nfs/dbraw/zinc/05/75/09/369057509.db2.gz NEDCWYOIXSUVAF-BFHYXJOUSA-N 2 0 254.418 2.321 20 30 CEEDRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)ccc1C#N ZINC000234963913 370552290 /nfs/dbraw/zinc/55/22/90/370552290.db2.gz ITNUTJLNVHEUSL-GFCCVEGCSA-N 2 0 273.380 2.126 20 30 CEEDRP CCCCNC(=[NH2+])NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264079677 371965096 /nfs/dbraw/zinc/96/50/96/371965096.db2.gz GVKBVISGLCNARX-UHFFFAOYSA-N 2 0 288.439 2.139 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000565043535 377541951 /nfs/dbraw/zinc/54/19/51/377541951.db2.gz FZESGNVRJZJIMQ-MSOLQXFVSA-N 2 0 299.418 2.277 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000294923019 378029463 /nfs/dbraw/zinc/02/94/63/378029463.db2.gz GYWMVZIURGUXFR-AWEZNQCLSA-N 2 0 290.407 2.310 20 30 CEEDRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000449737903 378225355 /nfs/dbraw/zinc/22/53/55/378225355.db2.gz VROJEQNQSKVZJZ-MEDUHNTESA-N 2 0 273.355 2.270 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000305071070 379619662 /nfs/dbraw/zinc/61/96/62/379619662.db2.gz JIZTUTPSRVQBLL-HOTGVXAUSA-N 2 0 266.429 2.121 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC000335019528 394727603 /nfs/dbraw/zinc/72/76/03/394727603.db2.gz PJPAANJSJCQYSX-CZUORRHYSA-N 2 0 255.365 2.135 20 30 CEEDRP C[N@H+](CCCn1ccnc1)Cc1ccc(OCC#N)cc1 ZINC000271743030 394763310 /nfs/dbraw/zinc/76/33/10/394763310.db2.gz WTVBGFCJXDUHJQ-UHFFFAOYSA-N 2 0 284.363 2.308 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423506064 394939118 /nfs/dbraw/zinc/93/91/18/394939118.db2.gz LXOQEOXNAOOOMS-RDJZCZTQSA-N 2 0 298.434 2.244 20 30 CEEDRP C=CCOCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000339060703 394940749 /nfs/dbraw/zinc/94/07/49/394940749.db2.gz WFTPKBCGMXMHFL-UHFFFAOYSA-N 2 0 289.423 2.432 20 30 CEEDRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000373981384 395069122 /nfs/dbraw/zinc/06/91/22/395069122.db2.gz OWTSAEROYGWEHV-GASCZTMLSA-N 2 0 279.428 2.111 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346840161 395109115 /nfs/dbraw/zinc/10/91/15/395109115.db2.gz ZSWXORRRHAXNKF-UAGQMJEPSA-N 2 0 272.392 2.421 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346840160 395109589 /nfs/dbraw/zinc/10/95/89/395109589.db2.gz ZSWXORRRHAXNKF-BHYGNILZSA-N 2 0 272.392 2.421 20 30 CEEDRP C[C@H](CCNC(=[NH2+])Nc1ccccn1)[NH+]1CCCCC1 ZINC000181500201 395216495 /nfs/dbraw/zinc/21/64/95/395216495.db2.gz QOMCYNVYAZHGJB-CYBMUJFWSA-N 2 0 275.400 2.073 20 30 CEEDRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000442709865 395391972 /nfs/dbraw/zinc/39/19/72/395391972.db2.gz OUHHVGTURNWVNB-GOEBONIOSA-N 2 0 287.407 2.409 20 30 CEEDRP C=CCc1cc(C[NH2+]CCC2(C[NH3+])CC2)cc(OC)c1O ZINC000650712318 401001654 /nfs/dbraw/zinc/00/16/54/401001654.db2.gz ABUWSRKSMREOTC-UHFFFAOYSA-N 2 0 290.407 2.348 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C1 ZINC000651765485 401386447 /nfs/dbraw/zinc/38/64/47/401386447.db2.gz TUAVZIWSDZTMGC-BRWVUGGUSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000665263253 415655272 /nfs/dbraw/zinc/65/52/72/415655272.db2.gz JGMRAKITSZAMIC-HRCADAONSA-N 2 0 266.429 2.480 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253987 415721572 /nfs/dbraw/zinc/72/15/72/415721572.db2.gz DFAKAAXHQQGXTG-AWEZNQCLSA-N 2 0 252.402 2.186 20 30 CEEDRP CCCCNC(=[NH2+])NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000267449777 262931038 /nfs/dbraw/zinc/93/10/38/262931038.db2.gz RCYOHGHYAFHMIY-UHFFFAOYSA-N 2 0 280.391 2.092 20 30 CEEDRP CCNC(=[NH2+])NCc1ccccc1C[NH+]1CCCCCC1 ZINC000267453635 262931478 /nfs/dbraw/zinc/93/14/78/262931478.db2.gz SBZXOIHKZVLOPF-UHFFFAOYSA-N 2 0 288.439 2.487 20 30 CEEDRP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000273347804 263015731 /nfs/dbraw/zinc/01/57/31/263015731.db2.gz PBOYWUYVWBPYBO-MRXNPFEDSA-N 2 0 286.423 2.060 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@H](C)C[NH+](C)C)c1 ZINC000291965525 263126829 /nfs/dbraw/zinc/12/68/29/263126829.db2.gz SFIDNMUEQGIUII-LBPRGKRZSA-N 2 0 262.401 2.173 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(OC)c1O ZINC000414953221 263159331 /nfs/dbraw/zinc/15/93/31/263159331.db2.gz JIPPHHUWHGAHNY-SWLSCSKDSA-N 2 0 290.407 2.217 20 30 CEEDRP CSC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC[NH+](C)CC1 ZINC000353652569 263308338 /nfs/dbraw/zinc/30/83/38/263308338.db2.gz AYMTXITZHVIDBT-OLZOCXBDSA-N 2 0 267.442 2.096 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CC[C@H](CC(C)C)C1 ZINC000175562292 329169662 /nfs/dbraw/zinc/16/96/62/329169662.db2.gz GHGFDAYLVLEDJW-CVEARBPZSA-N 2 0 294.487 2.272 20 30 CEEDRP CN1CCC[NH+]=C1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000263116057 330044319 /nfs/dbraw/zinc/04/43/19/330044319.db2.gz LNPMAYGSCBMLSB-HNNXBMFYSA-N 2 0 278.444 2.065 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1 ZINC000045946432 330350107 /nfs/dbraw/zinc/35/01/07/330350107.db2.gz MRNRAPWKIFXJCL-INIZCTEOSA-N 2 0 272.392 2.273 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1CC1 ZINC000120984844 330394219 /nfs/dbraw/zinc/39/42/19/330394219.db2.gz MXRDWENLZHRQNC-RDJZCZTQSA-N 2 0 279.472 2.204 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000449094163 330898692 /nfs/dbraw/zinc/89/86/92/330898692.db2.gz QOQXDNCWQRJIFC-GJZGRUSLSA-N 2 0 254.418 2.168 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)C1CC1 ZINC000453256989 331108216 /nfs/dbraw/zinc/10/82/16/331108216.db2.gz GSHYROCEXBLUKG-JKSUJKDBSA-N 2 0 266.429 2.168 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000247950150 334292157 /nfs/dbraw/zinc/29/21/57/334292157.db2.gz DYZCVTCSYVRBNC-DOTOQJQBSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCCCC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000581172663 336018978 /nfs/dbraw/zinc/01/89/78/336018978.db2.gz KSHVCAKJVUTOQT-MRXNPFEDSA-N 2 0 266.429 2.387 20 30 CEEDRP C[C@H](Cn1ccnc1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000728711884 574468817 /nfs/dbraw/zinc/46/88/17/574468817.db2.gz PYROOZHJXIWWHE-KGLIPLIRSA-N 2 0 284.363 2.352 20 30 CEEDRP C=C(C)CC[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000949307262 613261741 /nfs/dbraw/zinc/26/17/41/613261741.db2.gz CDVYEBBOTLCDTG-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001022201181 623833481 /nfs/dbraw/zinc/83/34/81/623833481.db2.gz GDJDZSSHYDXGAB-XHSDSOJGSA-N 2 0 293.455 2.062 20 30 CEEDRP C=CC[C@@H]1CC[NH+]1CCOCC[N@H+]1CC[C@@H]1CC=C ZINC000934462564 624509924 /nfs/dbraw/zinc/50/99/24/624509924.db2.gz XVBXVHVOKJFGRX-IYBDPMFKSA-N 2 0 264.413 2.304 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001022803753 624620869 /nfs/dbraw/zinc/62/08/69/624620869.db2.gz BELKOQPLPQIHGK-HRCADAONSA-N 2 0 293.455 2.064 20 30 CEEDRP C#CCN(C)CCC[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000820846102 634548999 /nfs/dbraw/zinc/54/89/99/634548999.db2.gz CLLYSBJECAOCDW-AWEZNQCLSA-N 2 0 262.372 2.474 20 30 CEEDRP C#CCN(C)CCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000328054975 627767933 /nfs/dbraw/zinc/76/79/33/627767933.db2.gz AHYVLOBTWYWAFV-UHFFFAOYSA-N 2 0 255.365 2.213 20 30 CEEDRP C[C@H](CNC(=[NH2+])N1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000261972328 629406689 /nfs/dbraw/zinc/40/66/89/629406689.db2.gz DRULYSZGLHZVTI-QLFBSQMISA-N 2 0 280.460 2.296 20 30 CEEDRP CCCCCCNC(=[NH2+])NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000305042263 631106555 /nfs/dbraw/zinc/10/65/55/631106555.db2.gz WEQLPRGZHQFUHS-OAHLLOKOSA-N 2 0 282.476 2.449 20 30 CEEDRP C=C(Br)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000168205597 631110658 /nfs/dbraw/zinc/11/06/58/631110658.db2.gz QPOHHLHWXFUZHK-FGWVZKOKSA-N 2 0 259.191 2.110 20 30 CEEDRP CCCC[N@H+](C)CC1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801913377 631351615 /nfs/dbraw/zinc/35/16/15/631351615.db2.gz UNRFOJXLRMSIKG-OAHLLOKOSA-N 2 0 281.444 2.359 20 30 CEEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000809616698 632112006 /nfs/dbraw/zinc/11/20/06/632112006.db2.gz VKAJYVATBXDVRC-UHFFFAOYSA-N 2 0 256.393 2.489 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCCCC2)C1 ZINC000989829778 632247159 /nfs/dbraw/zinc/24/71/59/632247159.db2.gz WKJPCGYSRDOLIB-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000900340374 633660041 /nfs/dbraw/zinc/66/00/41/633660041.db2.gz XYUZMOVNYGKKHL-AWEZNQCLSA-N 2 0 295.471 2.121 20 30 CEEDRP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000817915038 633774427 /nfs/dbraw/zinc/77/44/27/633774427.db2.gz GYBYSYUWLUHVHW-WFASDCNBSA-N 2 0 273.380 2.045 20 30 CEEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(CC[NH3+])cc2)C1 ZINC000817948788 633795312 /nfs/dbraw/zinc/79/53/12/633795312.db2.gz LEYVETPHFMJKKB-HOTGVXAUSA-N 2 0 257.381 2.360 20 30 CEEDRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902789102 634833964 /nfs/dbraw/zinc/83/39/64/634833964.db2.gz BUYVFCFQTULPNZ-CYBMUJFWSA-N 2 0 272.396 2.336 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](CC(C)C)C1CCOCC1 ZINC000902999669 634932282 /nfs/dbraw/zinc/93/22/82/634932282.db2.gz DHXZLXMTTRQPEG-QGZVFWFLSA-N 2 0 280.456 2.372 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000903425279 635112896 /nfs/dbraw/zinc/11/28/96/635112896.db2.gz ZDYFRJDPDTVKBO-BBRMVZONSA-N 2 0 257.381 2.344 20 30 CEEDRP N#CC1CCC(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000903447083 635133198 /nfs/dbraw/zinc/13/31/98/635133198.db2.gz CZNIDVVYGZSKTK-NEADZQPHSA-N 2 0 261.413 2.376 20 30 CEEDRP N#Cc1ccc(C2([NH2+]C[C@H]3CC[C@@H]([NH3+])C3)CCOCC2)cc1 ZINC000903474020 635144235 /nfs/dbraw/zinc/14/42/35/635144235.db2.gz FLCDROZVABSEMQ-DOTOQJQBSA-N 2 0 299.418 2.281 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903734579 635250946 /nfs/dbraw/zinc/25/09/46/635250946.db2.gz SAKBRTMTGCEWHM-JKSUJKDBSA-N 2 0 266.429 2.433 20 30 CEEDRP N#Cc1ccc([C@@H]2C[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)CCO2)cc1 ZINC000903823410 635291321 /nfs/dbraw/zinc/29/13/21/635291321.db2.gz GPQSQMVKNOJHKK-UAGQMJEPSA-N 2 0 285.391 2.059 20 30 CEEDRP C#Cc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000825226733 635594969 /nfs/dbraw/zinc/59/49/69/635594969.db2.gz LHRCTUQTWARXRZ-YOEHRIQHSA-N 2 0 256.393 2.488 20 30 CEEDRP N#Cc1ccc(C2([NH2+]C[C@H]3C[C@@H]([NH3+])C3)CCC2)cc1 ZINC000904376670 635601966 /nfs/dbraw/zinc/60/19/66/635601966.db2.gz WUOIBZHVYFUVOG-OTVXOJSOSA-N 2 0 255.365 2.264 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])C2)cc1Cl ZINC000906507811 636759550 /nfs/dbraw/zinc/75/95/50/636759550.db2.gz DBRJECXYWIXAKA-HAQNSBGRSA-N 2 0 266.772 2.484 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737625 638387030 /nfs/dbraw/zinc/38/70/30/638387030.db2.gz XEFDGALQZJQPIB-LSDHHAIUSA-N 2 0 283.460 2.275 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911857182 638445916 /nfs/dbraw/zinc/44/59/16/638445916.db2.gz UKBPUCDQJGHKDT-DOMZBBRYSA-N 2 0 275.396 2.006 20 30 CEEDRP C#CCCCCCC[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000877086531 650566063 /nfs/dbraw/zinc/56/60/63/650566063.db2.gz ZMMYUDKCPMEGLB-UHFFFAOYSA-N 2 0 280.456 2.395 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001015795938 641119429 /nfs/dbraw/zinc/11/94/29/641119429.db2.gz UBMYCLXTKFHLEQ-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795936 641119618 /nfs/dbraw/zinc/11/96/18/641119618.db2.gz UBMYCLXTKFHLEQ-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848561648 642054170 /nfs/dbraw/zinc/05/41/70/642054170.db2.gz AQPXFDGXJHLJIL-FZNQNYSPSA-N 2 0 272.392 2.128 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000996763529 642133735 /nfs/dbraw/zinc/13/37/35/642133735.db2.gz RLXNIHQALVZBBF-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC2=[NH+]CCCN2C)C1 ZINC000848989941 642211308 /nfs/dbraw/zinc/21/13/08/642211308.db2.gz MVPGIWUVDOXCSL-GASCZTMLSA-N 2 0 280.460 2.026 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997362616 642242405 /nfs/dbraw/zinc/24/24/05/642242405.db2.gz APOBQLWEWLQGOY-UHFFFAOYSA-N 2 0 293.455 2.019 20 30 CEEDRP CCCCCCCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000109192494 642631744 /nfs/dbraw/zinc/63/17/44/642631744.db2.gz OMKZAXDLSZGEQJ-OAHLLOKOSA-N 2 0 283.460 2.134 20 30 CEEDRP C#CC[N@H+](C)CCCNCc1cc(C)cnc1Cl ZINC000922146859 642905141 /nfs/dbraw/zinc/90/51/41/642905141.db2.gz FOPCNOZCCRYQON-UHFFFAOYSA-N 2 0 265.788 2.088 20 30 CEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000923364330 643679689 /nfs/dbraw/zinc/67/96/89/643679689.db2.gz MEXHCWDJRRGAOQ-OKZBNKHCSA-N 2 0 299.418 2.056 20 30 CEEDRP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000923386724 643692514 /nfs/dbraw/zinc/69/25/14/643692514.db2.gz APYUKZSSMLQNBK-QLFBSQMISA-N 2 0 254.418 2.153 20 30 CEEDRP C=CCC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCCC1 ZINC000859746293 645590409 /nfs/dbraw/zinc/59/04/09/645590409.db2.gz SQYSAMJLPXZKIP-HNNXBMFYSA-N 2 0 266.429 2.312 20 30 CEEDRP C#CCCCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000878287762 651054532 /nfs/dbraw/zinc/05/45/32/651054532.db2.gz IOCQDGMVDLMRCO-IXDOHACOSA-N 2 0 278.440 2.364 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000878274653 651050895 /nfs/dbraw/zinc/05/08/95/651050895.db2.gz ULUAUBBVJCULEU-MRXNPFEDSA-N 2 0 279.472 2.441 20 30 CEEDRP C[N@H+](CCc1cccc(C#N)c1)C[C@]1(C)CC[NH2+]C1 ZINC000873218918 649594544 /nfs/dbraw/zinc/59/45/44/649594544.db2.gz BVVPBEJNNNATEW-MRXNPFEDSA-N 2 0 257.381 2.032 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)[C@H]1CCCO1 ZINC000883173161 652389003 /nfs/dbraw/zinc/38/90/03/652389003.db2.gz DMAGRUIOSKIPFI-HRCADAONSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001088381784 806174221 /nfs/dbraw/zinc/17/42/21/806174221.db2.gz MMAXMKNJSOHNRF-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001088567273 806437673 /nfs/dbraw/zinc/43/76/73/806437673.db2.gz DNBUFOWJULAREQ-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C[NH+](C)C1CCC([NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC001168304277 806639205 /nfs/dbraw/zinc/63/92/05/806639205.db2.gz SCFKDPKEVIDHGX-UHFFFAOYSA-N 2 0 287.407 2.399 20 30 CEEDRP C=CCN1CCC[C@H]1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC001168304713 806639794 /nfs/dbraw/zinc/63/97/94/806639794.db2.gz BCWYKGPDMYPVCK-GPANFISMSA-N 2 0 265.445 2.099 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001266551842 802708181 /nfs/dbraw/zinc/70/81/81/802708181.db2.gz AUWOEGQMWSSJRO-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028003723 804389913 /nfs/dbraw/zinc/38/99/13/804389913.db2.gz RLMIMEJCTLRYPI-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP N#C[C@H]1CCC[N@@H+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387700 807045212 /nfs/dbraw/zinc/04/52/12/807045212.db2.gz QJQOMLRIKMTZIY-AWEZNQCLSA-N 2 0 261.413 2.486 20 30 CEEDRP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001269799042 805255845 /nfs/dbraw/zinc/25/58/45/805255845.db2.gz QESKLURWMFIMCH-INIZCTEOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001272755503 808605840 /nfs/dbraw/zinc/60/58/40/808605840.db2.gz GPZFPQWALJTUAW-WKILWMFISA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](CC)CC ZINC001168653182 808849127 /nfs/dbraw/zinc/84/91/27/808849127.db2.gz MCOZTICUKUCNFA-HNNXBMFYSA-N 2 0 283.460 2.025 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128784506 809463092 /nfs/dbraw/zinc/46/30/92/809463092.db2.gz NOAPIURDWPIITR-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP N#Cc1ccc(CCC[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206157136 815298940 /nfs/dbraw/zinc/29/89/40/815298940.db2.gz WGMKMIUCSUOVHB-HOTGVXAUSA-N 2 0 275.371 2.252 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]Cc1ccc(C#N)nc1)C2 ZINC001172112166 815301142 /nfs/dbraw/zinc/30/11/42/815301142.db2.gz SXFQJBVIAHJQKZ-MUJYYYPQSA-N 2 0 270.380 2.058 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001229895481 809683617 /nfs/dbraw/zinc/68/36/17/809683617.db2.gz KTEZSTVZEREVIG-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001039051689 810975554 /nfs/dbraw/zinc/97/55/54/810975554.db2.gz XTHCXZPZQGLPDK-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCC[C@@H]1C[NH3+] ZINC001205996386 811344233 /nfs/dbraw/zinc/34/42/33/811344233.db2.gz WQUQPRLCXYXEBZ-XJKSGUPXSA-N 2 0 257.381 2.365 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001044630715 811516699 /nfs/dbraw/zinc/51/66/99/811516699.db2.gz YHFALZOKJZGSCC-LSDHHAIUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001045437882 811612442 /nfs/dbraw/zinc/61/24/42/811612442.db2.gz HGRULIOYIPAIEJ-HNNXBMFYSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001169797298 811664426 /nfs/dbraw/zinc/66/44/26/811664426.db2.gz CZGZLIQQVCPUQI-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP CC[NH+](CC)CCCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668198 812568565 /nfs/dbraw/zinc/56/85/65/812568565.db2.gz FIAUFKLPRPHUAC-IAGOWNOFSA-N 2 0 292.471 2.028 20 30 CEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[C@@H]1C ZINC001132519069 812872913 /nfs/dbraw/zinc/87/29/13/812872913.db2.gz SEPKCGCKPLLEQH-HOTGVXAUSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134762995 813322105 /nfs/dbraw/zinc/32/21/05/813322105.db2.gz JWEUXNDZHALQTC-HZPDHXFCSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001134757522 813324357 /nfs/dbraw/zinc/32/43/57/813324357.db2.gz OZJHJPNGQJZPGH-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001134858227 813338668 /nfs/dbraw/zinc/33/86/68/813338668.db2.gz PZIAAVGDAKFVPG-LSDHHAIUSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613925 813482510 /nfs/dbraw/zinc/48/25/10/813482510.db2.gz JOUUBKANLHTZCS-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+](CC)CC ZINC001135747880 813516560 /nfs/dbraw/zinc/51/65/60/813516560.db2.gz WFIXYAKTTBRMNF-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH+]1CC(C)(C)CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001099353922 813999966 /nfs/dbraw/zinc/99/99/66/813999966.db2.gz IRCVJVPWUKXZIQ-HNNXBMFYSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCCC[NH2+]C1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001100647073 814165801 /nfs/dbraw/zinc/16/58/01/814165801.db2.gz BGNQTISUUQUTSB-UYSNPLJNSA-N 2 0 295.471 2.023 20 30 CEEDRP C[C@@H]1C[C@@H](N2CCc3cc(C#N)ccc3C2)CC[NH2+]1 ZINC001246594002 814185593 /nfs/dbraw/zinc/18/55/93/814185593.db2.gz UQOCMZYVDGXLFW-WBMJQRKESA-N 2 0 255.365 2.057 20 30 CEEDRP C=CCN1CC[NH+](C2CCC([NH+](CC)CC)CC2)CC1 ZINC001173112564 815584458 /nfs/dbraw/zinc/58/44/58/815584458.db2.gz XNAHPFNZQFFDSC-UHFFFAOYSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001175106450 816132213 /nfs/dbraw/zinc/13/22/13/816132213.db2.gz GCPRMRCNHYGPHS-JKSUJKDBSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001176986048 816503139 /nfs/dbraw/zinc/50/31/39/816503139.db2.gz CMQXEAGBGGBMKH-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534436 816869927 /nfs/dbraw/zinc/86/99/27/816869927.db2.gz LYYXEGABLXYHCI-JYJNAYRXSA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000602518356 347064610 /nfs/dbraw/zinc/06/46/10/347064610.db2.gz QFLFNGZNWIXTLE-JKSUJKDBSA-N 2 0 293.455 2.407 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000602568982 347081902 /nfs/dbraw/zinc/08/19/02/347081902.db2.gz QBUAOLYVPADQBS-OIISXLGYSA-N 2 0 293.455 2.284 20 30 CEEDRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C#N)cc1F ZINC000593319073 345466001 /nfs/dbraw/zinc/46/60/01/345466001.db2.gz JCOHRXMAQMIJKR-NSHDSACASA-N 2 0 261.344 2.477 20 30 CEEDRP C[NH+](C)Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594441537 345631404 /nfs/dbraw/zinc/63/14/04/345631404.db2.gz SKNSTBPUKZAOGQ-OAHLLOKOSA-N 2 0 288.395 2.098 20 30 CEEDRP Cc1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c(C)n1 ZINC000594441386 345631521 /nfs/dbraw/zinc/63/15/21/345631521.db2.gz RDPCUYJNSWSFFN-LBPRGKRZSA-N 2 0 260.341 2.048 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000596651889 346072154 /nfs/dbraw/zinc/07/21/54/346072154.db2.gz RLUUPQOAVJJDQF-QLFBSQMISA-N 2 0 284.469 2.042 20 30 CEEDRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598588507 346378358 /nfs/dbraw/zinc/37/83/58/346378358.db2.gz BEEMCVQUCJHIHG-INIZCTEOSA-N 2 0 295.471 2.339 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)CC1(C)C ZINC000598961253 346437907 /nfs/dbraw/zinc/43/79/07/346437907.db2.gz JRJCZYZWGIDZBL-HNNXBMFYSA-N 2 0 287.407 2.399 20 30 CEEDRP C=C[C@H](C(=O)OC)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662220 346557360 /nfs/dbraw/zinc/55/73/60/346557360.db2.gz ZPZAYGCGGKDMTD-MRXNPFEDSA-N 2 0 290.407 2.298 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000600768906 346686568 /nfs/dbraw/zinc/68/65/68/346686568.db2.gz HRUHKQJTUSHHIK-WQVCFCJDSA-N 2 0 289.379 2.012 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000602708093 347162294 /nfs/dbraw/zinc/16/22/94/347162294.db2.gz WADTWIMWCYWJKI-SOUVJXGZSA-N 2 0 279.428 2.015 20 30 CEEDRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C#N ZINC000602878136 347234639 /nfs/dbraw/zinc/23/46/39/347234639.db2.gz WBWNDRXRLUWEHI-UHFFFAOYSA-N 2 0 299.418 2.485 20 30 CEEDRP C[C@@H](CCC#N)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000618888504 349060666 /nfs/dbraw/zinc/06/06/66/349060666.db2.gz VHRUVULKXDOMAO-LSDHHAIUSA-N 2 0 279.428 2.017 20 30 CEEDRP C=CCc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc(OC)c1O ZINC000414925515 540247507 /nfs/dbraw/zinc/24/75/07/540247507.db2.gz LXNDOSXKDDJKRC-GJZGRUSLSA-N 2 0 290.407 2.489 20 30 CEEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000335459755 283192223 /nfs/dbraw/zinc/19/22/23/283192223.db2.gz DRMVBCJVXTYJPO-MRXNPFEDSA-N 2 0 255.365 2.135 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000676636924 540940326 /nfs/dbraw/zinc/94/03/26/540940326.db2.gz BEJIJGQPQWQBLX-MRXNPFEDSA-N 2 0 279.472 2.347 20 30 CEEDRP C[C@H]1CCC[C@@](CNC(=[NH2+])Nc2ccccn2)([NH+](C)C)C1 ZINC000170909612 367445083 /nfs/dbraw/zinc/44/50/83/367445083.db2.gz PMOSEMQESZZSQY-XJKSGUPXSA-N 2 0 289.427 2.319 20 30 CEEDRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])Nc2ccccn2)C1 ZINC000170910366 367445335 /nfs/dbraw/zinc/44/53/35/367445335.db2.gz TUOGSMGWNUJSAH-CYBMUJFWSA-N 2 0 289.427 2.319 20 30 CEEDRP C=CCOCCC[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000348049674 368874486 /nfs/dbraw/zinc/87/44/86/368874486.db2.gz JAKRZIZBIZMBMN-HUUCEWRRSA-N 2 0 254.418 2.384 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349822475 369412051 /nfs/dbraw/zinc/41/20/51/369412051.db2.gz POSVSNZOZXPWFA-HZPDHXFCSA-N 2 0 287.407 2.409 20 30 CEEDRP C=CCCOCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000231800964 370494655 /nfs/dbraw/zinc/49/46/55/370494655.db2.gz HKWOSIIESBTXCY-UHFFFAOYSA-N 2 0 275.396 2.233 20 30 CEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000249044443 371286342 /nfs/dbraw/zinc/28/63/42/371286342.db2.gz VRMQKLQORGXLLR-BFYDXBDKSA-N 2 0 291.439 2.159 20 30 CEEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCc2ccccc21 ZINC000263252817 371932587 /nfs/dbraw/zinc/93/25/87/371932587.db2.gz PMWUOIXREPXSIQ-AWEZNQCLSA-N 2 0 298.434 2.109 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264056228 371959451 /nfs/dbraw/zinc/95/94/51/371959451.db2.gz BAISYGBCUGZYAF-CQSZACIVSA-N 2 0 288.439 2.485 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000264062016 371959500 /nfs/dbraw/zinc/95/95/00/371959500.db2.gz PSPZPMOYUBPNJW-CQSZACIVSA-N 2 0 292.427 2.065 20 30 CEEDRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1C#N ZINC000397295191 375340321 /nfs/dbraw/zinc/34/03/21/375340321.db2.gz ZIVLOJUVIAXTSG-IOASZLSFSA-N 2 0 287.407 2.372 20 30 CEEDRP CC[NH+]1CCC([NH2+]Cc2ccc(CC#N)cc2)CC1 ZINC000399227327 375360035 /nfs/dbraw/zinc/36/00/35/375360035.db2.gz FIRQJDREQDCMID-UHFFFAOYSA-N 2 0 257.381 2.327 20 30 CEEDRP C=CCCC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420377464 376683079 /nfs/dbraw/zinc/68/30/79/376683079.db2.gz LBVBKIKCQFUGHV-CABCVRRESA-N 2 0 252.402 2.171 20 30 CEEDRP COc1cc(C[N@H+](C)CCCn2ccnc2)ccc1C#N ZINC000290585407 376843733 /nfs/dbraw/zinc/84/37/33/376843733.db2.gz UXDQAVTWDJDMAG-UHFFFAOYSA-N 2 0 284.363 2.285 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)ccc1C#N ZINC000423119273 377014426 /nfs/dbraw/zinc/01/44/26/377014426.db2.gz BYURXJIBKVBWHE-SWLSCSKDSA-N 2 0 273.380 2.045 20 30 CEEDRP N#Cc1cccc(CC[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423094813 376987801 /nfs/dbraw/zinc/98/78/01/376987801.db2.gz CSOGCSNYFURNCI-UHFFFAOYSA-N 2 0 257.381 2.208 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000436303705 377821828 /nfs/dbraw/zinc/82/18/28/377821828.db2.gz CIWUOEIDFIHYPG-TUVASFSCSA-N 2 0 252.402 2.040 20 30 CEEDRP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450467688 378434714 /nfs/dbraw/zinc/43/47/14/378434714.db2.gz DTRMUCBZOGZGIV-AWEZNQCLSA-N 2 0 258.369 2.350 20 30 CEEDRP CC[NH+]1CCC(NC(=O)Cn2cnc3c2CCCC3)CC1 ZINC000329422916 394563381 /nfs/dbraw/zinc/56/33/81/394563381.db2.gz FWGLKAXNPJYGBW-UHFFFAOYSA-N 2 0 290.411 2.203 20 30 CEEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)Nc1ccc2c(c1)CCC2 ZINC000262012664 394611243 /nfs/dbraw/zinc/61/12/43/394611243.db2.gz USCRPLGORFHOBI-ZDUSSCGKSA-N 2 0 298.434 2.386 20 30 CEEDRP C=CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccco1 ZINC000286353667 395020743 /nfs/dbraw/zinc/02/07/43/395020743.db2.gz YWZFSJXPFWXCKO-AWEZNQCLSA-N 2 0 278.396 2.333 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000352901161 395274660 /nfs/dbraw/zinc/27/46/60/395274660.db2.gz LASJJNQERVQVMU-PBHICJAKSA-N 2 0 277.456 2.099 20 30 CEEDRP C=CC[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C1 ZINC000651753439 401383778 /nfs/dbraw/zinc/38/37/78/401383778.db2.gz QSSBVZHRJVSKBT-JKSUJKDBSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CCCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361783 401494019 /nfs/dbraw/zinc/49/40/19/401494019.db2.gz PGKRNSKIXSOFAE-KFWWJZLASA-N 2 0 252.402 2.313 20 30 CEEDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)ccc1C#N ZINC000234962739 153429273 /nfs/dbraw/zinc/42/92/73/153429273.db2.gz PKZYJNDHAWWKEJ-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657883495 415113254 /nfs/dbraw/zinc/11/32/54/415113254.db2.gz YHATWBFEMWKSAL-ZACQAIPSSA-N 2 0 279.472 2.347 20 30 CEEDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000044518357 175190807 /nfs/dbraw/zinc/19/08/07/175190807.db2.gz XQXYIEXBSMZTCI-UHFFFAOYSA-N 2 0 261.344 2.129 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658206100 415256961 /nfs/dbraw/zinc/25/69/61/415256961.db2.gz MIMJZKAYRCDYLR-KFWWJZLASA-N 2 0 252.402 2.042 20 30 CEEDRP C=CC[C@@]1(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662430920 415839997 /nfs/dbraw/zinc/83/99/97/415839997.db2.gz WQEXCMOXWFRLJO-GUYCJALGSA-N 2 0 287.407 2.021 20 30 CEEDRP C=CC[C@@]1(C(=O)Nc2cccc(C[NH2+]CC)c2)CCC[NH2+]1 ZINC000662398902 415824257 /nfs/dbraw/zinc/82/42/57/415824257.db2.gz KWPAEMOPWXGEBS-KRWDZBQOSA-N 2 0 287.407 2.433 20 30 CEEDRP N#Cc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000333631387 228207678 /nfs/dbraw/zinc/20/76/78/228207678.db2.gz AYCBYKDHCWRIOR-QZTJIDSGSA-N 2 0 299.418 2.277 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000104172392 260620592 /nfs/dbraw/zinc/62/05/92/260620592.db2.gz TZVXTYPJKUYQMX-AWEZNQCLSA-N 2 0 274.412 2.317 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1 ZINC000414840897 263057486 /nfs/dbraw/zinc/05/74/86/263057486.db2.gz YPLFOAUQODAVKH-HNNXBMFYSA-N 2 0 260.381 2.341 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288780233 263105907 /nfs/dbraw/zinc/10/59/07/263105907.db2.gz WJPQGYLQXVJIDW-LLVKDONJSA-N 2 0 296.365 2.423 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530244227 269974272 /nfs/dbraw/zinc/97/42/72/269974272.db2.gz WTCQUKUDIHHEIP-GOSISDBHSA-N 2 0 299.418 2.149 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000459732696 267338369 /nfs/dbraw/zinc/33/83/69/267338369.db2.gz MOHAKGYNRDJFQA-CQSZACIVSA-N 2 0 297.406 2.027 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000246389543 277068581 /nfs/dbraw/zinc/06/85/81/277068581.db2.gz ASMVCADYTPYNLL-FGTMMUONSA-N 2 0 299.418 2.008 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)CC2 ZINC000423512168 281056923 /nfs/dbraw/zinc/05/69/23/281056923.db2.gz QRMAVBXTKCPJDD-DJSGYFEHSA-N 2 0 255.365 2.263 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(C#N)c(F)c1 ZINC000423513791 281058752 /nfs/dbraw/zinc/05/87/52/281058752.db2.gz RMMLBKNDKMKDOJ-MISXGVKJSA-N 2 0 261.344 2.475 20 30 CEEDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185777328 329331574 /nfs/dbraw/zinc/33/15/74/329331574.db2.gz FPCIZMCQNYFEIM-IRXDYDNUSA-N 2 0 292.471 2.076 20 30 CEEDRP CC[NH+]=C(NCC1(C)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262389140 330012255 /nfs/dbraw/zinc/01/22/55/330012255.db2.gz LUGRDYZOFMRUOB-OAHLLOKOSA-N 2 0 292.471 2.312 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000423093305 330169394 /nfs/dbraw/zinc/16/93/94/330169394.db2.gz GYJDMWZTUYNRPT-KBXIAJHMSA-N 2 0 252.402 2.217 20 30 CEEDRP C=CCC(C)(C)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423126087 330171232 /nfs/dbraw/zinc/17/12/32/330171232.db2.gz APNVAEOFBMFWPJ-RBSFLKMASA-N 2 0 266.429 2.335 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423152249 330173216 /nfs/dbraw/zinc/17/32/16/330173216.db2.gz LJQCXJZADNXHKO-WCVJEAGWSA-N 2 0 258.365 2.454 20 30 CEEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000423173050 330174813 /nfs/dbraw/zinc/17/48/13/330174813.db2.gz WSJLYUWEFSWPOP-NSHDSACASA-N 2 0 260.385 2.439 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000424369931 330348174 /nfs/dbraw/zinc/34/81/74/330348174.db2.gz DCSPCPOFBZUIKG-VGWMRTNUSA-N 2 0 266.429 2.478 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000430719938 330571402 /nfs/dbraw/zinc/57/14/02/330571402.db2.gz HIUJCKZOFWZRJW-HOTGVXAUSA-N 2 0 293.455 2.051 20 30 CEEDRP C=CCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000132934183 334010916 /nfs/dbraw/zinc/01/09/16/334010916.db2.gz SVKIIZWYBWTSTQ-UHFFFAOYSA-N 2 0 287.451 2.312 20 30 CEEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000733902103 574690188 /nfs/dbraw/zinc/69/01/88/574690188.db2.gz LLTQAOHLADFART-TZMCWYRMSA-N 2 0 261.373 2.157 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902384497 634628510 /nfs/dbraw/zinc/62/85/10/634628510.db2.gz SJJYTNMDXTVACZ-KFWWJZLASA-N 2 0 266.429 2.335 20 30 CEEDRP C=CC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001026540186 628352880 /nfs/dbraw/zinc/35/28/80/628352880.db2.gz CZHNFLLGHXOQMR-UHFFFAOYSA-N 2 0 293.455 2.064 20 30 CEEDRP CC[C@]1(C)CCN(C(NC[C@H](C)[N@H+](C)C2CC2)=[NH+]C)C1 ZINC000261805228 629248520 /nfs/dbraw/zinc/24/85/20/629248520.db2.gz RXMPJEPYCIRIBZ-XJKSGUPXSA-N 2 0 280.460 2.167 20 30 CEEDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924954047 629291232 /nfs/dbraw/zinc/29/12/32/629291232.db2.gz UDOOCMAGSPMHCR-CVEARBPZSA-N 2 0 294.487 2.178 20 30 CEEDRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=[NH2+])NCC2CCC2)C1 ZINC000262025805 629450414 /nfs/dbraw/zinc/45/04/14/629450414.db2.gz ZGTBTNCHBIEXHM-ZDUSSCGKSA-N 2 0 280.460 2.201 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000899976683 633155796 /nfs/dbraw/zinc/15/57/96/633155796.db2.gz BMANSZZSRNDRTA-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000900695334 633801346 /nfs/dbraw/zinc/80/13/46/633801346.db2.gz PXFHSNSGSYZLMH-UHFFFAOYSA-N 2 0 295.471 2.073 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000817977785 633821436 /nfs/dbraw/zinc/82/14/36/633821436.db2.gz PBJBBZGHJWFQIE-KGLIPLIRSA-N 2 0 260.381 2.477 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000903447305 635132805 /nfs/dbraw/zinc/13/28/05/635132805.db2.gz NUIGOJLCSTXBMJ-UKRRQHHQSA-N 2 0 257.381 2.344 20 30 CEEDRP N#C[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903563684 635163019 /nfs/dbraw/zinc/16/30/19/635163019.db2.gz ISIASYUXPCVANZ-ZDUSSCGKSA-N 2 0 255.365 2.068 20 30 CEEDRP CC(C)(C#N)C[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000905600040 636335113 /nfs/dbraw/zinc/33/51/13/636335113.db2.gz GKAQIGNJXVHBES-CKDBGZEDSA-N 2 0 293.455 2.284 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000876538165 650311427 /nfs/dbraw/zinc/31/14/27/650311427.db2.gz MUIXCUHPZKDVLD-SKDRFNHKSA-N 2 0 267.760 2.115 20 30 CEEDRP CC(C)C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)NC(C)(C)C ZINC000912507816 638713117 /nfs/dbraw/zinc/71/31/17/638713117.db2.gz FLORKHAAYFSRLM-ZDUSSCGKSA-N 2 0 268.449 2.070 20 30 CEEDRP C#C[C@@H]1CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020235 641525585 /nfs/dbraw/zinc/52/55/85/641525585.db2.gz AGTGJCVNSIAALW-KZNAEPCWSA-N 2 0 272.436 2.455 20 30 CEEDRP COCC[N@H+](C)CCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921524028 642189914 /nfs/dbraw/zinc/18/99/14/642189914.db2.gz KAXOTPSVIZFJIP-UHFFFAOYSA-N 2 0 289.423 2.233 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000849046362 642255700 /nfs/dbraw/zinc/25/57/00/642255700.db2.gz QUGBEDUFCNFOIR-CVEARBPZSA-N 2 0 286.423 2.022 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](CN(C)C)OCC)C1 ZINC000922755814 643246589 /nfs/dbraw/zinc/24/65/89/643246589.db2.gz IGXBWYVOALGGNV-RBSFLKMASA-N 2 0 254.418 2.288 20 30 CEEDRP N#Cc1ccc(CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000852748241 643533019 /nfs/dbraw/zinc/53/30/19/643533019.db2.gz OCIMQJDQPUDDLG-KRWDZBQOSA-N 2 0 269.392 2.176 20 30 CEEDRP CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000923335077 643667078 /nfs/dbraw/zinc/66/70/78/643667078.db2.gz IIHIHEDLTPKBIL-DLBZAZTESA-N 2 0 287.407 2.056 20 30 CEEDRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@H](C)C1 ZINC000866616368 647843319 /nfs/dbraw/zinc/84/33/19/647843319.db2.gz XTTUREFFQUXNPA-XWIAVFTESA-N 2 0 283.419 2.345 20 30 CEEDRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000873292147 649629470 /nfs/dbraw/zinc/62/94/70/649629470.db2.gz OMMXDHBGFUTMDT-RHSMWYFYSA-N 2 0 299.418 2.368 20 30 CEEDRP C=CCC[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)[C@@H]1CCCO1 ZINC000883209381 652401197 /nfs/dbraw/zinc/40/11/97/652401197.db2.gz BBUUXWHJVKIQPR-CVEARBPZSA-N 2 0 264.413 2.352 20 30 CEEDRP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001270829154 805579708 /nfs/dbraw/zinc/57/97/08/805579708.db2.gz JIZKKMMYIMGBTB-KRWDZBQOSA-N 2 0 295.471 2.123 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001088336673 806134307 /nfs/dbraw/zinc/13/43/07/806134307.db2.gz JKBXXCVCRZTJON-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001267116901 803139825 /nfs/dbraw/zinc/13/98/25/803139825.db2.gz JIQJIYGQRXMYRI-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[NH2+][C@@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267151206 803167754 /nfs/dbraw/zinc/16/77/54/803167754.db2.gz MHTWVFCDSGZOET-HNNXBMFYSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001268221162 804552162 /nfs/dbraw/zinc/55/21/62/804552162.db2.gz KGQNESUTLYYYQD-INIZCTEOSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)CC[N@@H+](C)CCC)CCCCC1 ZINC001120041276 815191638 /nfs/dbraw/zinc/19/16/38/815191638.db2.gz LJTWQMCUCFQUOB-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998764754 808763137 /nfs/dbraw/zinc/76/31/37/808763137.db2.gz URXCHCKIOGPSJR-UYSNPLJNSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)CC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001045385900 811604420 /nfs/dbraw/zinc/60/44/20/811604420.db2.gz AFZGYIHFNJZYTB-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169797297 811664299 /nfs/dbraw/zinc/66/42/99/811664299.db2.gz CZGZLIQQVCPUQI-HOTGVXAUSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001052712363 812449688 /nfs/dbraw/zinc/44/96/88/812449688.db2.gz HLXAJLJQAZVVSE-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441336 812856425 /nfs/dbraw/zinc/85/64/25/812856425.db2.gz NPFZPKRIRDQMQK-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833806 813161559 /nfs/dbraw/zinc/16/15/59/813161559.db2.gz GRKRGRFOHGSVBS-HNNXBMFYSA-N 2 0 283.460 2.147 20 30 CEEDRP C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369846 813261967 /nfs/dbraw/zinc/26/19/67/813261967.db2.gz SSWHJSGHYYOJEU-CABCVRRESA-N 2 0 295.471 2.310 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1occc1C[NH+](C)C ZINC001135308162 813403264 /nfs/dbraw/zinc/40/32/64/813403264.db2.gz OXOUTUNFHVXHIG-STQMWFEESA-N 2 0 293.411 2.014 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135614290 813482206 /nfs/dbraw/zinc/48/22/06/813482206.db2.gz QAACQZQKWCMKNE-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979036 813577178 /nfs/dbraw/zinc/57/71/78/813577178.db2.gz BFTPWIBGTRERDW-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)CCC ZINC001135979037 813578284 /nfs/dbraw/zinc/57/82/84/813578284.db2.gz BFTPWIBGTRERDW-HUUCEWRRSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001171174743 814053771 /nfs/dbraw/zinc/05/37/71/814053771.db2.gz OYCPFDQARXNUFZ-JKSUJKDBSA-N 2 0 295.471 2.169 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CC[N@H+](C)C1 ZINC001171179852 814060738 /nfs/dbraw/zinc/06/07/38/814060738.db2.gz XRHFXRXCZIKSBK-XJKSGUPXSA-N 2 0 257.381 2.031 20 30 CEEDRP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3cccc(C#N)c3)C[C@H]2C1 ZINC001171232618 814202585 /nfs/dbraw/zinc/20/25/85/814202585.db2.gz UNMZZAYNEXIDBA-ZTFGCOKTSA-N 2 0 283.419 2.373 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595223 814298741 /nfs/dbraw/zinc/29/87/41/814298741.db2.gz XQZULDLBSBNQSG-LSDHHAIUSA-N 2 0 283.460 2.166 20 30 CEEDRP C=CCC[NH2+]CCNC(=O)CCC[NH+](CCC)CCC ZINC001147449030 814450524 /nfs/dbraw/zinc/45/05/24/814450524.db2.gz FRLKIALCFAEFQL-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)CCC[NH+](C)C)CCCCC1 ZINC001115697343 814746209 /nfs/dbraw/zinc/74/62/09/814746209.db2.gz BZNDSELMFSRQMC-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c(C#N)c1 ZINC001137703309 815668422 /nfs/dbraw/zinc/66/84/22/815668422.db2.gz IZALYPLMUBHMND-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP N#CCC1CCC([NH2+]CC2CC[NH+](C3COC3)CC2)CC1 ZINC001173332055 815678650 /nfs/dbraw/zinc/67/86/50/815678650.db2.gz HPMYJNXSZVDXHA-UHFFFAOYSA-N 2 0 291.439 2.159 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001175273415 816167574 /nfs/dbraw/zinc/16/75/74/816167574.db2.gz RLBGHYNBOUMWHF-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001175305014 816170749 /nfs/dbraw/zinc/17/07/49/816170749.db2.gz NUJNHBKCZAIGJH-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001176590878 816437733 /nfs/dbraw/zinc/43/77/33/816437733.db2.gz DSJDJTCSWXRTPP-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001176986045 816502677 /nfs/dbraw/zinc/50/26/77/816502677.db2.gz CMQXEAGBGGBMKH-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001176997287 816507213 /nfs/dbraw/zinc/50/72/13/816507213.db2.gz JSEDDMGNAZUHRU-INIZCTEOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001179586013 816886099 /nfs/dbraw/zinc/88/60/99/816886099.db2.gz LNGZMKCYZHMPEI-INIZCTEOSA-N 2 0 295.471 2.171 20 30 CEEDRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1C#N ZINC000601969817 346946142 /nfs/dbraw/zinc/94/61/42/346946142.db2.gz FOGCLYNJBRXDNN-HNNXBMFYSA-N 2 0 287.407 2.435 20 30 CEEDRP CNC(NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)=[NH+]C ZINC000057887130 343640634 /nfs/dbraw/zinc/64/06/34/343640634.db2.gz BHPGLACVMYHKDE-CQSZACIVSA-N 2 0 288.439 2.356 20 30 CEEDRP C=CCCC[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000091511076 344166438 /nfs/dbraw/zinc/16/64/38/344166438.db2.gz CNBFOZRESBRQCD-DLBZAZTESA-N 2 0 279.472 2.443 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C#N)n2)[C@@H](C)C1 ZINC000602474958 347048871 /nfs/dbraw/zinc/04/88/71/347048871.db2.gz JULGRQHKVHJGKB-XJKSGUPXSA-N 2 0 272.396 2.115 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc(C#N)n2)[C@H](C)C1 ZINC000602474957 347048735 /nfs/dbraw/zinc/04/87/35/347048735.db2.gz JULGRQHKVHJGKB-CZUORRHYSA-N 2 0 272.396 2.115 20 30 CEEDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573253 345265263 /nfs/dbraw/zinc/26/52/63/345265263.db2.gz BEAXJWVHNMXXFF-XEGUGMAKSA-N 2 0 293.798 2.054 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000591579221 345265954 /nfs/dbraw/zinc/26/59/54/345265954.db2.gz BRLBOQQOOIBKER-IUODEOHRSA-N 2 0 255.365 2.351 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000593322862 345466562 /nfs/dbraw/zinc/46/65/62/345466562.db2.gz PFPJHJYVMJQFHB-KSZLIROESA-N 2 0 299.418 2.419 20 30 CEEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000594441793 345631129 /nfs/dbraw/zinc/63/11/29/345631129.db2.gz WULFZKYVQRBSFL-HNNXBMFYSA-N 2 0 297.362 2.222 20 30 CEEDRP C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000057994503 362604668 /nfs/dbraw/zinc/60/46/68/362604668.db2.gz MUCLYFGZGRTTLQ-AWEZNQCLSA-N 2 0 257.381 2.380 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595103654 345742833 /nfs/dbraw/zinc/74/28/33/345742833.db2.gz NMVCNFFCTVBQSG-HZPDHXFCSA-N 2 0 261.413 2.390 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595619380 345830145 /nfs/dbraw/zinc/83/01/45/345830145.db2.gz ACFDDRWHIXYSNK-QGZVFWFLSA-N 2 0 292.471 2.028 20 30 CEEDRP C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000595893514 345908875 /nfs/dbraw/zinc/90/88/75/345908875.db2.gz RXLJFEJPDNJOPO-BBRMVZONSA-N 2 0 257.381 2.017 20 30 CEEDRP N#CCC[C@H](C#N)C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000596067651 345932305 /nfs/dbraw/zinc/93/23/05/345932305.db2.gz PJWVGYRNZJVLJN-MRXNPFEDSA-N 2 0 274.412 2.142 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000596097538 345939277 /nfs/dbraw/zinc/93/92/77/345939277.db2.gz YUKPFOAOKBETHQ-OWCLPIDISA-N 2 0 261.413 2.390 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000598679739 346399815 /nfs/dbraw/zinc/39/98/15/346399815.db2.gz LYCCKNCCWACZCY-ROUUACIJSA-N 2 0 299.418 2.277 20 30 CEEDRP N#Cc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000598684307 346400168 /nfs/dbraw/zinc/40/01/68/346400168.db2.gz VOVZKVNHTVCVOH-KZNAEPCWSA-N 2 0 299.418 2.419 20 30 CEEDRP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)CC1(C)C ZINC000598961254 346437579 /nfs/dbraw/zinc/43/75/79/346437579.db2.gz JRJCZYZWGIDZBL-OAHLLOKOSA-N 2 0 287.407 2.399 20 30 CEEDRP COc1cc(CNC[C@H]2CCCC[N@H+](C)C2)ccc1C#N ZINC000598994351 346443288 /nfs/dbraw/zinc/44/32/88/346443288.db2.gz KPEZGYMLYDJUFC-OAHLLOKOSA-N 2 0 287.407 2.388 20 30 CEEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCOCCC[NH3+] ZINC000600709588 346675070 /nfs/dbraw/zinc/67/50/70/346675070.db2.gz LFVFERDXYRQXQH-QGZVFWFLSA-N 2 0 287.407 2.281 20 30 CEEDRP Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C#N ZINC000600710650 346675968 /nfs/dbraw/zinc/67/59/68/346675968.db2.gz PWCCEBHRBBLAJS-CJNGLKHVSA-N 2 0 257.381 2.283 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000602633168 347114190 /nfs/dbraw/zinc/11/41/90/347114190.db2.gz LMTBBOLIJCJCSY-CABCVRRESA-N 2 0 267.417 2.017 20 30 CEEDRP N#CCC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000602781351 347195588 /nfs/dbraw/zinc/19/55/88/347195588.db2.gz KMWHVULRZGXEDR-UHFFFAOYSA-N 2 0 291.439 2.257 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000130204896 365933220 /nfs/dbraw/zinc/93/32/20/365933220.db2.gz ROJBSGSQYHCMLU-JKSUJKDBSA-N 2 0 266.429 2.264 20 30 CEEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000404251142 233192882 /nfs/dbraw/zinc/19/28/82/233192882.db2.gz KKSVOFUXBFGMDJ-ZDUSSCGKSA-N 2 0 273.355 2.271 20 30 CEEDRP C#CCCOc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000271863201 191375241 /nfs/dbraw/zinc/37/52/41/191375241.db2.gz JCHSZPIPNYLGGS-UHFFFAOYSA-N 2 0 284.403 2.440 20 30 CEEDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C#N)s1 ZINC000150997621 366610997 /nfs/dbraw/zinc/61/09/97/366610997.db2.gz RDBMUFLGLYTUOD-LBPRGKRZSA-N 2 0 281.425 2.066 20 30 CEEDRP CC[NH2+]CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000113655906 364908424 /nfs/dbraw/zinc/90/84/24/364908424.db2.gz ZFOYLHSEWABGPR-UHFFFAOYSA-N 2 0 257.381 2.380 20 30 CEEDRP C[C@@H]1CCC[C@](CNC(=[NH2+])Nc2ccccn2)([NH+](C)C)C1 ZINC000170909614 367444935 /nfs/dbraw/zinc/44/49/35/367444935.db2.gz PMOSEMQESZZSQY-CJNGLKHVSA-N 2 0 289.427 2.319 20 30 CEEDRP Cc1ccc([C@@H](CNC(=[NH2+])N(C)C)[NH+]2CCCC2)cc1 ZINC000170911993 367446004 /nfs/dbraw/zinc/44/60/04/367446004.db2.gz TTZHKTZNUDFSGA-OAHLLOKOSA-N 2 0 274.412 2.008 20 30 CEEDRP N#Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000335538332 212235510 /nfs/dbraw/zinc/23/55/10/212235510.db2.gz IVROHWLBINNFJC-SJORKVTESA-N 2 0 269.392 2.380 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000343572303 367891730 /nfs/dbraw/zinc/89/17/30/367891730.db2.gz MRHXJBNFIDSSQQ-SJORKVTESA-N 2 0 269.392 2.317 20 30 CEEDRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000174551384 368039469 /nfs/dbraw/zinc/03/94/69/368039469.db2.gz YAGJPLPJFWKQBP-UHFFFAOYSA-N 2 0 261.369 2.363 20 30 CEEDRP C=C(C)CC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000352420714 369724280 /nfs/dbraw/zinc/72/42/80/369724280.db2.gz FXMIOSSAJIAMET-UHFFFAOYSA-N 2 0 261.369 2.178 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@@H](C)C1 ZINC000246933564 371033083 /nfs/dbraw/zinc/03/30/83/371033083.db2.gz HEXBIJOVQJUJQP-JKSUJKDBSA-N 2 0 281.444 2.407 20 30 CEEDRP CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000264081547 371964524 /nfs/dbraw/zinc/96/45/24/371964524.db2.gz INYVQZIEHQPHNS-CQSZACIVSA-N 2 0 288.439 2.485 20 30 CEEDRP C=C(C)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000375394918 374656124 /nfs/dbraw/zinc/65/61/24/374656124.db2.gz ZSWLDRFPJBADIU-HNNXBMFYSA-N 2 0 265.445 2.053 20 30 CEEDRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1C#N ZINC000414786758 375969514 /nfs/dbraw/zinc/96/95/14/375969514.db2.gz UUKYRQUBRRQXBR-IAGOWNOFSA-N 2 0 299.418 2.388 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])ccc1C#N ZINC000414800029 375984915 /nfs/dbraw/zinc/98/49/15/375984915.db2.gz KMOURRLGFBIRIL-DZGCQCFKSA-N 2 0 273.380 2.174 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000436291278 377821534 /nfs/dbraw/zinc/82/15/34/377821534.db2.gz PUJLMLBPLIRNTE-UGUYLWEFSA-N 2 0 264.413 2.184 20 30 CEEDRP N#CC1(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCC1 ZINC000450449896 378422926 /nfs/dbraw/zinc/42/29/26/378422926.db2.gz FSIPLGBDPNYDCY-UHFFFAOYSA-N 2 0 291.439 2.257 20 30 CEEDRP C[N@@H+]1CC[C@@H]2CCN(Cc3cc(C#N)cs3)[C@@H]2C1 ZINC000334398322 380354577 /nfs/dbraw/zinc/35/45/77/380354577.db2.gz LXWFDCNRVOPZSD-TZMCWYRMSA-N 2 0 261.394 2.146 20 30 CEEDRP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCC(C)CC1 ZINC000303263199 394479265 /nfs/dbraw/zinc/47/92/65/394479265.db2.gz QQVKGWMSHCXWEM-OAHLLOKOSA-N 2 0 280.460 2.153 20 30 CEEDRP [NH2+]=C(NCC1CC[NH+](Cc2cccs2)CC1)NC1CC1 ZINC000261703505 394605578 /nfs/dbraw/zinc/60/55/78/394605578.db2.gz CQXCXYDNVLCDKQ-UHFFFAOYSA-N 2 0 292.452 2.027 20 30 CEEDRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)ccc1C#N ZINC000415007199 394846483 /nfs/dbraw/zinc/84/64/83/394846483.db2.gz RALXCPQPORWDNH-DOMZBBRYSA-N 2 0 273.380 2.174 20 30 CEEDRP COc1cc(C[NH2+]C2CCC(C[NH3+])CC2)ccc1C#N ZINC000423125487 394886655 /nfs/dbraw/zinc/88/66/55/394886655.db2.gz QRFBEACHKUKPFB-UHFFFAOYSA-N 2 0 273.380 2.174 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423506063 394939735 /nfs/dbraw/zinc/93/97/35/394939735.db2.gz LXOQEOXNAOOOMS-NVXWUHKLSA-N 2 0 298.434 2.244 20 30 CEEDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000350331416 395184782 /nfs/dbraw/zinc/18/47/82/395184782.db2.gz QNNBHNCIFZIAPZ-OAHLLOKOSA-N 2 0 267.417 2.113 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000651952923 401423294 /nfs/dbraw/zinc/42/32/94/401423294.db2.gz IETLKLYORKZOFO-IAGOWNOFSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCC1([NH2+]CC(=O)NC2CC[NH+](CC)CC2)CCCC1 ZINC000661851186 415498142 /nfs/dbraw/zinc/49/81/42/415498142.db2.gz NIXUBWBRCCVBRB-UHFFFAOYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000665263252 415655190 /nfs/dbraw/zinc/65/51/90/415655190.db2.gz JGMRAKITSZAMIC-BZUAXINKSA-N 2 0 266.429 2.480 20 30 CEEDRP C=CCCC[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154140 415661976 /nfs/dbraw/zinc/66/19/76/415661976.db2.gz WOABWIDMWRYUFO-ZBFHGGJFSA-N 2 0 266.429 2.262 20 30 CEEDRP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](C)COC ZINC000662299741 415760859 /nfs/dbraw/zinc/76/08/59/415760859.db2.gz WOTJUFOZWWIIHH-AWEZNQCLSA-N 2 0 274.408 2.355 20 30 CEEDRP C=CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327277 415784409 /nfs/dbraw/zinc/78/44/09/415784409.db2.gz LXLUWDLTMBQAPJ-UHFFFAOYSA-N 2 0 274.412 2.242 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179712269 261810806 /nfs/dbraw/zinc/81/08/06/261810806.db2.gz ROISVPZPLFTVHM-ZDUSSCGKSA-N 2 0 289.427 2.001 20 30 CEEDRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1C#N ZINC000414774790 263043959 /nfs/dbraw/zinc/04/39/59/263043959.db2.gz UXCWREGAMXBNSQ-UHFFFAOYSA-N 2 0 285.391 2.142 20 30 CEEDRP C=CCc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc(OC)c1O ZINC000414836398 263057531 /nfs/dbraw/zinc/05/75/31/263057531.db2.gz VABWROLTRDXGLG-ZDUSSCGKSA-N 2 0 290.407 2.219 20 30 CEEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288725799 263105785 /nfs/dbraw/zinc/10/57/85/263105785.db2.gz MPKVAVYOUNMGGI-UHFFFAOYSA-N 2 0 270.327 2.032 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415046318 263258293 /nfs/dbraw/zinc/25/82/93/263258293.db2.gz UYEOEYKPTMDXRA-UKRRQHHQSA-N 2 0 290.407 2.477 20 30 CEEDRP N#CCSCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369838503 267271185 /nfs/dbraw/zinc/27/11/85/267271185.db2.gz WEBXMILKFOUAOG-KFWWJZLASA-N 2 0 279.453 2.049 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135690228 280052948 /nfs/dbraw/zinc/05/29/48/280052948.db2.gz CHJHEIZOPOLRGA-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000153025467 327307166 /nfs/dbraw/zinc/30/71/66/327307166.db2.gz IUYGVIDGCAQQCO-HOCLYGCPSA-N 2 0 277.456 2.242 20 30 CEEDRP C=CC[C@H](CO)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000186719594 329348007 /nfs/dbraw/zinc/34/80/07/329348007.db2.gz QHCVDSGKTNFBOL-OAHLLOKOSA-N 2 0 266.429 2.310 20 30 CEEDRP [NH2+]=C(NC1CC([NH+]2CCCCC2)C1)NC1CCCCC1 ZINC000262491581 330017238 /nfs/dbraw/zinc/01/72/38/330017238.db2.gz VCPNMNDFKBYSBL-UHFFFAOYSA-N 2 0 278.444 2.240 20 30 CEEDRP C[NH+]=C(NC1CC1)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262793661 330032092 /nfs/dbraw/zinc/03/20/92/330032092.db2.gz NVMHJWXXYCTDAN-XJKSGUPXSA-N 2 0 286.423 2.149 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000422911458 330160048 /nfs/dbraw/zinc/16/00/48/330160048.db2.gz SWXNSRBVVMOAMP-FVQBIDKESA-N 2 0 290.407 2.093 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423158679 330173735 /nfs/dbraw/zinc/17/37/35/330173735.db2.gz WYGYNDQEMJGARZ-BARDWOONSA-N 2 0 252.402 2.230 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423367377 330194638 /nfs/dbraw/zinc/19/46/38/330194638.db2.gz AIOJSAWLVJPPDV-CYBMUJFWSA-N 2 0 287.407 2.087 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392797 330200717 /nfs/dbraw/zinc/20/07/17/330200717.db2.gz QNUCGEZDGLZXOO-QWHCGFSZSA-N 2 0 293.377 2.157 20 30 CEEDRP C=C(C)COCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000163575860 331058873 /nfs/dbraw/zinc/05/88/73/331058873.db2.gz SKECRNVZIPQOSE-UHFFFAOYSA-N 2 0 275.396 2.233 20 30 CEEDRP COc1ccc(C[NH+]2CCC(C[NH2+]CCC#N)CC2)cc1 ZINC000575796493 335115900 /nfs/dbraw/zinc/11/59/00/335115900.db2.gz FSRUCXRPIBNHOL-UHFFFAOYSA-N 2 0 287.407 2.410 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000067222631 519862235 /nfs/dbraw/zinc/86/22/35/519862235.db2.gz AXQMZJMEUXWNMW-INIZCTEOSA-N 2 0 257.381 2.380 20 30 CEEDRP C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000729682250 574490742 /nfs/dbraw/zinc/49/07/42/574490742.db2.gz YIYPGGPQAAGKAM-DZGCQCFKSA-N 2 0 285.391 2.304 20 30 CEEDRP CC[N@H+](CCNC(=[NH2+])Nc1ccc(OC)cc1)C(C)C ZINC000104191553 624321734 /nfs/dbraw/zinc/32/17/34/624321734.db2.gz YVHFLIOINIPMFF-UHFFFAOYSA-N 2 0 278.400 2.152 20 30 CEEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157390832 624975119 /nfs/dbraw/zinc/97/51/19/624975119.db2.gz HBNLKLFEAUXYIL-HNNXBMFYSA-N 2 0 282.476 2.305 20 30 CEEDRP C=CC[NH+]1CCC(N[C@H](c2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000925549022 628194287 /nfs/dbraw/zinc/19/42/87/628194287.db2.gz JYGJCJYIZJHPCJ-PBHICJAKSA-N 2 0 273.424 2.315 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925654589 628361166 /nfs/dbraw/zinc/36/11/66/628361166.db2.gz GCXPYWYFQDQCBC-QRJUGERDSA-N 2 0 278.440 2.334 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925702426 628540972 /nfs/dbraw/zinc/54/09/72/628540972.db2.gz CUQOLCAPNYBCDM-CRWXNKLISA-N 2 0 252.402 2.073 20 30 CEEDRP CSc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1C#N ZINC000925774558 628789614 /nfs/dbraw/zinc/78/96/14/628789614.db2.gz WNKCZBVDKWKNQH-WDEREUQCSA-N 2 0 263.410 2.496 20 30 CEEDRP C[NH+]=C(NCC(C)(C)C[NH+](C)C)N1CCc2ccccc21 ZINC000262947420 631276165 /nfs/dbraw/zinc/27/61/65/631276165.db2.gz AYRMBEFQVGBFIH-UHFFFAOYSA-N 2 0 288.439 2.212 20 30 CEEDRP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000815107123 632960478 /nfs/dbraw/zinc/96/04/78/632960478.db2.gz KHJUTOAQENXATN-HUUCEWRRSA-N 2 0 261.413 2.486 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000817977784 633822149 /nfs/dbraw/zinc/82/21/49/633822149.db2.gz PBJBBZGHJWFQIE-KBPBESRZSA-N 2 0 260.381 2.477 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000818966766 634019771 /nfs/dbraw/zinc/01/97/71/634019771.db2.gz OFVFLWCOZOANLG-SFHVURJKSA-N 2 0 299.418 2.056 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000903453068 635136719 /nfs/dbraw/zinc/13/67/19/635136719.db2.gz XXHIRSBUDLWPCX-MRXNPFEDSA-N 2 0 257.381 2.346 20 30 CEEDRP CC(C)(Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH2+]CC1 ZINC000903987370 635406370 /nfs/dbraw/zinc/40/63/70/635406370.db2.gz DNTRVNFKSUAYNL-UHFFFAOYSA-N 2 0 271.408 2.469 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904410660 635616998 /nfs/dbraw/zinc/61/69/98/635616998.db2.gz QQOVOOZNHNIFQD-CQSZACIVSA-N 2 0 260.381 2.422 20 30 CEEDRP C#CC[NH+](C)Cc1cc(Cl)cc(C[N@H+](C)CC#C)c1 ZINC000829159393 636790539 /nfs/dbraw/zinc/79/05/39/636790539.db2.gz QWCUEJPXNZYPTO-UHFFFAOYSA-N 2 0 274.795 2.470 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000911692208 638360560 /nfs/dbraw/zinc/36/05/60/638360560.db2.gz MUOFQIYKABJFNZ-AWEZNQCLSA-N 2 0 261.369 2.028 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000911692209 638361466 /nfs/dbraw/zinc/36/14/66/638361466.db2.gz MUOFQIYKABJFNZ-CQSZACIVSA-N 2 0 261.369 2.028 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000912989680 639178280 /nfs/dbraw/zinc/17/82/80/639178280.db2.gz VDCWFNMKSSRBRB-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP N#Cc1cnc(Cl)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000876929074 650490566 /nfs/dbraw/zinc/49/05/66/650490566.db2.gz GIGGEGNTJYFCFJ-NSHDSACASA-N 2 0 290.798 2.181 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996798246 642138717 /nfs/dbraw/zinc/13/87/17/642138717.db2.gz KHNGXGRLDNLBTQ-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849024066 642237652 /nfs/dbraw/zinc/23/76/52/642237652.db2.gz PJJAXSXWFXUSBM-CQSZACIVSA-N 2 0 292.427 2.065 20 30 CEEDRP C=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000999502908 642492321 /nfs/dbraw/zinc/49/23/21/642492321.db2.gz OGRABLCWVSVDQG-QQFBHYJXSA-N 2 0 293.455 2.016 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000857761035 644965229 /nfs/dbraw/zinc/96/52/29/644965229.db2.gz MWCXLXLWBQOICX-UHFFFAOYSA-N 2 0 292.814 2.428 20 30 CEEDRP C=C(C)C[NH+]1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000858399081 645144152 /nfs/dbraw/zinc/14/41/52/645144152.db2.gz RZVMNRTYEJOBRE-UHFFFAOYSA-N 2 0 261.369 2.026 20 30 CEEDRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000203308981 646547851 /nfs/dbraw/zinc/54/78/51/646547851.db2.gz ZGKMLWMTAMTFNQ-ZDUSSCGKSA-N 2 0 260.385 2.144 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C#N)CC3)cc2)CC1 ZINC000775667017 646978183 /nfs/dbraw/zinc/97/81/83/646978183.db2.gz CTAORHUCCKQPGC-UHFFFAOYSA-N 2 0 298.434 2.174 20 30 CEEDRP C#CCCC[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000784569331 647864223 /nfs/dbraw/zinc/86/42/23/647864223.db2.gz AUAYYJYNUCFXEV-UHFFFAOYSA-N 2 0 254.337 2.079 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292535 649630045 /nfs/dbraw/zinc/63/00/45/649630045.db2.gz SXJOMXXPCMJXLL-SOUVJXGZSA-N 2 0 266.429 2.335 20 30 CEEDRP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000883188015 652393735 /nfs/dbraw/zinc/39/37/35/652393735.db2.gz BFBHCIYWWQDQJB-JYJNAYRXSA-N 2 0 266.429 2.432 20 30 CEEDRP C=CCC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001271016500 805715464 /nfs/dbraw/zinc/71/54/64/805715464.db2.gz HCCLEUTYCDNHBD-QGZVFWFLSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001271060172 805729963 /nfs/dbraw/zinc/72/99/63/805729963.db2.gz RYWVISLGRGHBCV-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001271839546 806112207 /nfs/dbraw/zinc/11/22/07/806112207.db2.gz SYGSLQMXHUSEEJ-OAGGEKHMSA-N 2 0 295.471 2.023 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001088334708 806131343 /nfs/dbraw/zinc/13/13/43/806131343.db2.gz NUFPVCCHTIJBDW-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001208331527 802385703 /nfs/dbraw/zinc/38/57/03/802385703.db2.gz TVPYOUSHQKJEES-OAHLLOKOSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001279111414 802896761 /nfs/dbraw/zinc/89/67/61/802896761.db2.gz LOSJOMYNUUEMGM-OAHLLOKOSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266816751 802919059 /nfs/dbraw/zinc/91/90/59/802919059.db2.gz ITODEXYSJSFLEL-JKSUJKDBSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+]C[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001268008761 803921176 /nfs/dbraw/zinc/92/11/76/803921176.db2.gz LIAJDTKNJTWYKI-OAHLLOKOSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001268366595 804634126 /nfs/dbraw/zinc/63/41/26/804634126.db2.gz NRMLDJUJSZGNEK-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001028335518 804718106 /nfs/dbraw/zinc/71/81/06/804718106.db2.gz WRICOSVCOHHHAX-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001028334466 804718973 /nfs/dbraw/zinc/71/89/73/804718973.db2.gz AQBZTSVEJNOGOO-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167948051 805112336 /nfs/dbraw/zinc/11/23/36/805112336.db2.gz KGXSHNWRIRRGOR-PIIMJCKOSA-N 2 0 289.467 2.077 20 30 CEEDRP C=C(C)C[N@@H+](C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001284552910 805202330 /nfs/dbraw/zinc/20/23/30/805202330.db2.gz ABWLBUOHCFSUSI-OAHLLOKOSA-N 2 0 283.460 2.072 20 30 CEEDRP CCCCCCCCCCOC(=O)N(CC[NH3+])CC[NH3+] ZINC001239334128 808583369 /nfs/dbraw/zinc/58/33/69/808583369.db2.gz BRBPAMCYEDLYSQ-UHFFFAOYSA-N 2 0 287.448 2.483 20 30 CEEDRP C=CCC[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397825 809600185 /nfs/dbraw/zinc/60/01/85/809600185.db2.gz LUEIIKNMBBEYBP-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH+]1CCC(C)(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001045491917 811618239 /nfs/dbraw/zinc/61/82/39/811618239.db2.gz JTXOAGZCHKUVFT-UHFFFAOYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001169809111 811675098 /nfs/dbraw/zinc/67/50/98/811675098.db2.gz FHECLTBYHATUET-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001109443735 811890954 /nfs/dbraw/zinc/89/09/54/811890954.db2.gz CWYWANMUYOTSBE-QXSJWSMHSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001109709147 811931798 /nfs/dbraw/zinc/93/17/98/811931798.db2.gz FEKBJDIBFABWOO-UGUYLWEFSA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)CC[C@H]1C ZINC001132410838 812843024 /nfs/dbraw/zinc/84/30/24/812843024.db2.gz OYIRAWDFQUDQSR-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)CCC)CC[C@H]1C ZINC001132441337 812856791 /nfs/dbraw/zinc/85/67/91/812856791.db2.gz NPFZPKRIRDQMQK-HZPDHXFCSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001052255160 812957766 /nfs/dbraw/zinc/95/77/66/812957766.db2.gz WRKWKRSAIXIYSY-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584608 813292942 /nfs/dbraw/zinc/29/29/42/813292942.db2.gz VOYOGTUCAYKAIE-GJZGRUSLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001135613928 813481537 /nfs/dbraw/zinc/48/15/37/813481537.db2.gz JOUUBKANLHTZCS-LSDHHAIUSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135706467 813507991 /nfs/dbraw/zinc/50/79/91/813507991.db2.gz VBALVBIYTQFHCR-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823634 813533661 /nfs/dbraw/zinc/53/36/61/813533661.db2.gz DQYSAUMYAZIFAC-LSDHHAIUSA-N 2 0 295.471 2.166 20 30 CEEDRP CC1(C#N)CCC([N@@H+]2CCC(F)(F)[C@@H](C[NH3+])C2)CC1 ZINC001246554843 814027599 /nfs/dbraw/zinc/02/75/99/814027599.db2.gz DYHZJJMTAKEYIP-HIFPTAJRSA-N 2 0 271.355 2.375 20 30 CEEDRP C=CCC[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171238640 814211221 /nfs/dbraw/zinc/21/12/21/814211221.db2.gz XDLCVXBQLPKRLX-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP CCCCCCC[C@H](C)[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001246646107 814241965 /nfs/dbraw/zinc/24/19/65/814241965.db2.gz WLCBBHNELKIKOC-JKSUJKDBSA-N 2 0 267.461 2.373 20 30 CEEDRP C#CCOc1ccc(CN2C[C@@H]3C[N@H+](CCC)C[C@@H]3C2)cc1 ZINC001138560249 815829740 /nfs/dbraw/zinc/82/97/40/815829740.db2.gz NXMJNZUAJGAQQL-HDICACEKSA-N 2 0 298.430 2.472 20 30 CEEDRP C=C(C)CC[NH2+]CCCC[C@H](C)NC(=O)CC[NH+](C)C ZINC001175049863 816130130 /nfs/dbraw/zinc/13/01/30/816130130.db2.gz YKNAJNBKKDPWLR-HNNXBMFYSA-N 2 0 283.460 2.169 20 30 CEEDRP C#Cc1cc(Nc2ccc(C[NH+](C)C)cc2)ccn1 ZINC001176289423 816379176 /nfs/dbraw/zinc/37/91/76/816379176.db2.gz IRLUPKUNTMQHTK-UHFFFAOYSA-N 2 0 251.333 2.290 20 30 CEEDRP C=CC[NH2+]CCCC[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001176729174 816461851 /nfs/dbraw/zinc/46/18/51/816461851.db2.gz YNXQPZXJJKXMNX-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCC[NH2+]CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001178045899 816663501 /nfs/dbraw/zinc/66/35/01/816663501.db2.gz ZBZUACXJPJUYRW-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP N#C[C@@H]1CCC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000333346368 539323655 /nfs/dbraw/zinc/32/36/55/539323655.db2.gz USDYVKSCSAQTQA-XLNGHYISSA-N 2 0 291.439 2.036 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000602546022 347071910 /nfs/dbraw/zinc/07/19/10/347071910.db2.gz AVJJHJDRKNIBDY-LSDHHAIUSA-N 2 0 279.428 2.017 20 30 CEEDRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(C#N)c(F)c1 ZINC000593318142 345465887 /nfs/dbraw/zinc/46/58/87/345465887.db2.gz AABIHNBEXPVQHX-NSHDSACASA-N 2 0 261.344 2.477 20 30 CEEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH3+])cc2F)C1 ZINC000593320241 345465936 /nfs/dbraw/zinc/46/59/36/345465936.db2.gz BNRQVSPXVMDVOG-BXUZGUMPSA-N 2 0 261.344 2.456 20 30 CEEDRP C=CCCSCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000596651427 346071917 /nfs/dbraw/zinc/07/19/17/346071917.db2.gz PPYTYIOHDBFXLN-MGPQQGTHSA-N 2 0 254.443 2.273 20 30 CEEDRP C[C@H](CCC#N)C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000602603203 347096183 /nfs/dbraw/zinc/09/61/83/347096183.db2.gz NAFZFCQWEXERPL-CQSZACIVSA-N 2 0 290.411 2.051 20 30 CEEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716452 346676987 /nfs/dbraw/zinc/67/69/87/346676987.db2.gz LMJFGIZXGMRSAO-HZPDHXFCSA-N 2 0 293.455 2.143 20 30 CEEDRP C=CCCSCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602707622 347161837 /nfs/dbraw/zinc/16/18/37/347161837.db2.gz CVUFNBPIZPXDFH-UHFFFAOYSA-N 2 0 286.485 2.121 20 30 CEEDRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000602661683 347129367 /nfs/dbraw/zinc/12/93/67/347129367.db2.gz IDVUTSMJYDPNGA-UHFFFAOYSA-N 2 0 281.444 2.141 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000602724037 347171760 /nfs/dbraw/zinc/17/17/60/347171760.db2.gz PMHLKAXHOOGKQQ-HZPDHXFCSA-N 2 0 293.455 2.407 20 30 CEEDRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000602876135 347234738 /nfs/dbraw/zinc/23/47/38/347234738.db2.gz FCLIYRHQGHVZCE-INIZCTEOSA-N 2 0 281.444 2.095 20 30 CEEDRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(C#N)c2)[C@H](C)C1 ZINC000610994689 347729898 /nfs/dbraw/zinc/72/98/98/347729898.db2.gz IWOZIIGPTAMQEG-CZUORRHYSA-N 2 0 272.396 2.115 20 30 CEEDRP N#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000404251141 233193019 /nfs/dbraw/zinc/19/30/19/233193019.db2.gz KKSVOFUXBFGMDJ-CYBMUJFWSA-N 2 0 273.355 2.271 20 30 CEEDRP C[NH+](C)CC1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000337126480 366029804 /nfs/dbraw/zinc/02/98/04/366029804.db2.gz GAIKZCZLCLBCAQ-UHFFFAOYSA-N 2 0 293.455 2.361 20 30 CEEDRP CC[NH+](CC)CCOC1CC[NH+](CCCC#N)CC1 ZINC000075007802 363433654 /nfs/dbraw/zinc/43/36/54/363433654.db2.gz HPQKDJRLXMCAFN-UHFFFAOYSA-N 2 0 267.417 2.113 20 30 CEEDRP CCCNC(=[NH2+])NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000136873170 366528850 /nfs/dbraw/zinc/52/88/50/366528850.db2.gz HUZXEHRHQGUGAF-ZBFHGGJFSA-N 2 0 288.439 2.211 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000152974803 366722673 /nfs/dbraw/zinc/72/26/73/366722673.db2.gz DYZCVTCSYVRBNC-NVXWUHKLSA-N 2 0 279.472 2.347 20 30 CEEDRP C[C@]1(CNC(=[NH2+])NC2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000153555669 366735923 /nfs/dbraw/zinc/73/59/23/366735923.db2.gz AIEXWQRWCHESTO-QGZVFWFLSA-N 2 0 286.423 2.108 20 30 CEEDRP CCCNC(=[NH2+])NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170908690 367444477 /nfs/dbraw/zinc/44/44/77/367444477.db2.gz LVRKYQDGJCQPPO-UHFFFAOYSA-N 2 0 274.412 2.097 20 30 CEEDRP CN(C)C(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000170908833 367445168 /nfs/dbraw/zinc/44/51/68/367445168.db2.gz CEIYROYTSNWYEQ-UHFFFAOYSA-N 2 0 274.412 2.049 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000346652675 368752788 /nfs/dbraw/zinc/75/27/88/368752788.db2.gz HVCKWZVGTMUJOE-UKRRQHHQSA-N 2 0 290.407 2.429 20 30 CEEDRP C=CCCCCC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639767820 371554902 /nfs/dbraw/zinc/55/49/02/371554902.db2.gz TXAVJKLASPWCIJ-HNNXBMFYSA-N 2 0 254.418 2.121 20 30 CEEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)[N@H+](C)C1CC1 ZINC000264236451 371987949 /nfs/dbraw/zinc/98/79/49/371987949.db2.gz DFTRFIUZTSNMBI-GFCCVEGCSA-N 2 0 286.423 2.385 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367613427 373167563 /nfs/dbraw/zinc/16/75/63/373167563.db2.gz FNHXZXSCENXGGJ-KSZLIROESA-N 2 0 291.483 2.489 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274815423 374059489 /nfs/dbraw/zinc/05/94/89/374059489.db2.gz ZADKOZRGKZTCSQ-RYQLBKOJSA-N 2 0 288.435 2.424 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423099309 376993080 /nfs/dbraw/zinc/99/30/80/376993080.db2.gz LXZNQAIHIHKSBS-JKSUJKDBSA-N 2 0 257.381 2.350 20 30 CEEDRP CC1(C#N)CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000449082811 378197513 /nfs/dbraw/zinc/19/75/13/378197513.db2.gz QAASIRUVMBUJDK-UHFFFAOYSA-N 2 0 279.428 2.161 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449235995 378198561 /nfs/dbraw/zinc/19/85/61/378198561.db2.gz IIKHBTQJWHBENV-UHFFFAOYSA-N 2 0 281.444 2.407 20 30 CEEDRP CC[NH+]1CCC(NCc2ccc(C#N)c(OC)c2)CC1 ZINC000281774612 195375404 /nfs/dbraw/zinc/37/54/04/195375404.db2.gz SOPHKDCSEVBIDK-UHFFFAOYSA-N 2 0 273.380 2.141 20 30 CEEDRP [NH2+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)Nc1ccc2c(c1)CCC2 ZINC000262012662 394611474 /nfs/dbraw/zinc/61/14/74/394611474.db2.gz USCRPLGORFHOBI-CYBMUJFWSA-N 2 0 298.434 2.386 20 30 CEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268964450 394704752 /nfs/dbraw/zinc/70/47/52/394704752.db2.gz KLDDRUZQIVDUCY-MSOLQXFVSA-N 2 0 299.418 2.026 20 30 CEEDRP C[NH+]=C(NC[C@@H](C)[N@H+](C)C1CC1)N1CCc2ccccc21 ZINC000103903463 394716842 /nfs/dbraw/zinc/71/68/42/394716842.db2.gz FCOXATLXQGRWRH-CYBMUJFWSA-N 2 0 286.423 2.107 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000423389726 394910601 /nfs/dbraw/zinc/91/06/01/394910601.db2.gz JOWJADRULFTOJI-JRPNMDOOSA-N 2 0 261.344 2.346 20 30 CEEDRP C#Cc1ccc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)cc1 ZINC000289358935 395075913 /nfs/dbraw/zinc/07/59/13/395075913.db2.gz YMISNQSRYWPPFA-UHFFFAOYSA-N 2 0 299.462 2.175 20 30 CEEDRP C=CCCC[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000350181704 395183799 /nfs/dbraw/zinc/18/37/99/395183799.db2.gz QKHFAAPTOYFAKU-OAHLLOKOSA-N 2 0 254.418 2.385 20 30 CEEDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411309190 395326476 /nfs/dbraw/zinc/32/64/76/395326476.db2.gz QRXVVKPQCNQYLY-GJZGRUSLSA-N 2 0 267.417 2.111 20 30 CEEDRP C=CC[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C1 ZINC000651676848 401370356 /nfs/dbraw/zinc/37/03/56/401370356.db2.gz PRQQADMZTSLODS-SJORKVTESA-N 2 0 279.472 2.348 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658206102 415257332 /nfs/dbraw/zinc/25/73/32/415257332.db2.gz MIMJZKAYRCDYLR-RRFJBIMHSA-N 2 0 252.402 2.042 20 30 CEEDRP C=CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665238358 415641342 /nfs/dbraw/zinc/64/13/42/415641342.db2.gz WVZQHPODGPWIOS-GDBMZVCRSA-N 2 0 258.365 2.408 20 30 CEEDRP C=CCOCCC[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000665262968 415655086 /nfs/dbraw/zinc/65/50/86/415655086.db2.gz CXLGVQMHWDOGQJ-GJZGRUSLSA-N 2 0 254.418 2.480 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285169 415674599 /nfs/dbraw/zinc/67/45/99/415674599.db2.gz FSOUOZMQUUIRLH-CABCVRRESA-N 2 0 295.471 2.167 20 30 CEEDRP C#CCSCC[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000364535205 262253616 /nfs/dbraw/zinc/25/36/16/262253616.db2.gz SIESKDFVUKSBQI-UHFFFAOYSA-N 2 0 266.454 2.349 20 30 CEEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288694757 263105605 /nfs/dbraw/zinc/10/56/05/263105605.db2.gz KJRUOFBFFCREGZ-LLVKDONJSA-N 2 0 282.338 2.176 20 30 CEEDRP C=CCCCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000514581043 266004045 /nfs/dbraw/zinc/00/40/45/266004045.db2.gz KKMLZDUCWDICJW-KRWDZBQOSA-N 2 0 279.472 2.443 20 30 CEEDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000397386741 267088171 /nfs/dbraw/zinc/08/81/71/267088171.db2.gz MFLXBQCLICQERJ-DVOMOZLQSA-N 2 0 257.381 2.363 20 30 CEEDRP N#CCSCCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369838505 267271252 /nfs/dbraw/zinc/27/12/52/267271252.db2.gz WEBXMILKFOUAOG-RBSFLKMASA-N 2 0 279.453 2.049 20 30 CEEDRP C=CCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370693118 267339962 /nfs/dbraw/zinc/33/99/62/267339962.db2.gz YBZZIDFEFHHKKY-UHFFFAOYSA-N 2 0 279.472 2.443 20 30 CEEDRP C[C@H](CCNC(=[NH2+])N1CCC(C)CC1)[NH+]1CCCCC1 ZINC000305801743 268001550 /nfs/dbraw/zinc/00/15/50/268001550.db2.gz DMPMSBUYFZLMOI-OAHLLOKOSA-N 2 0 280.460 2.298 20 30 CEEDRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000423455982 270913863 /nfs/dbraw/zinc/91/38/63/270913863.db2.gz NCTCYJQPHKEIIG-AWEZNQCLSA-N 2 0 286.423 2.244 20 30 CEEDRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000332380642 274391853 /nfs/dbraw/zinc/39/18/53/274391853.db2.gz GMJNZDKWGRWGEG-PBHICJAKSA-N 2 0 298.434 2.257 20 30 CEEDRP C#CC[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181640430 276788147 /nfs/dbraw/zinc/78/81/47/276788147.db2.gz NKKGGXBZQWJBFC-CQSZACIVSA-N 2 0 289.398 2.251 20 30 CEEDRP CNC(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)=[NH+]C ZINC000290500317 327198398 /nfs/dbraw/zinc/19/83/98/327198398.db2.gz HMWDLIDIQHMHPO-MRXNPFEDSA-N 2 0 288.439 2.084 20 30 CEEDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000583139281 329325908 /nfs/dbraw/zinc/32/59/08/329325908.db2.gz YVDZWXAGTMYNDY-OAHLLOKOSA-N 2 0 262.401 2.142 20 30 CEEDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185887230 329334290 /nfs/dbraw/zinc/33/42/90/329334290.db2.gz BZJGYNBOFNTLSD-RRFJBIMHSA-N 2 0 267.417 2.015 20 30 CEEDRP C=CCOc1ccccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262142895 330000619 /nfs/dbraw/zinc/00/06/19/330000619.db2.gz ZHSVNCRBGNBDKV-QGZVFWFLSA-N 2 0 272.392 2.437 20 30 CEEDRP C=CCNC(=[NH2+])NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000262791746 330031767 /nfs/dbraw/zinc/03/17/67/330031767.db2.gz OIBSKSFXROQVFM-UHFFFAOYSA-N 2 0 278.444 2.123 20 30 CEEDRP C[C@@]1(CNC(=[NH2+])N2CCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000263045896 330040499 /nfs/dbraw/zinc/04/04/99/330040499.db2.gz CWOMBDBXOYGJMT-KRWDZBQOSA-N 2 0 286.423 2.062 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422834974 330156804 /nfs/dbraw/zinc/15/68/04/330156804.db2.gz ONLSNHHNKXBBJF-ULQDDVLXSA-N 2 0 279.472 2.415 20 30 CEEDRP C=CCSCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422950582 330163683 /nfs/dbraw/zinc/16/36/83/330163683.db2.gz YKIJKSGFNBFUMR-LLVKDONJSA-N 2 0 265.426 2.419 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000423021944 330165761 /nfs/dbraw/zinc/16/57/61/330165761.db2.gz DBCKQHFDCDEZDI-VNQPRFMTSA-N 2 0 260.381 2.042 20 30 CEEDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000423173049 330174775 /nfs/dbraw/zinc/17/47/75/330174775.db2.gz WSJLYUWEFSWPOP-LLVKDONJSA-N 2 0 260.385 2.439 20 30 CEEDRP N#CC1(c2ccccc2)CCC([NH2+]CC2C[NH2+]C2)CC1 ZINC000423308094 330189416 /nfs/dbraw/zinc/18/94/16/330189416.db2.gz XJFJFERASZZJKJ-UHFFFAOYSA-N 2 0 269.392 2.200 20 30 CEEDRP C=CCC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)C1CC1 ZINC000423410634 330197146 /nfs/dbraw/zinc/19/71/46/330197146.db2.gz DJWXLHOHSMDFEO-CABCVRRESA-N 2 0 252.402 2.089 20 30 CEEDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424375179 330348496 /nfs/dbraw/zinc/34/84/96/330348496.db2.gz MNGGGAVTEHJEOS-WCFLWFBJSA-N 2 0 258.369 2.192 20 30 CEEDRP C#C[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000491704777 332298103 /nfs/dbraw/zinc/29/81/03/332298103.db2.gz USDWNSMYQWNKOD-MRXNPFEDSA-N 2 0 268.364 2.323 20 30 CEEDRP CC1CCN(C(=[NH2+])NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303266295 333339614 /nfs/dbraw/zinc/33/96/14/333339614.db2.gz VPEIKWFDCABUDP-IYBDPMFKSA-N 2 0 294.487 2.401 20 30 CEEDRP C=CCN1CCC([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177697712 335379772 /nfs/dbraw/zinc/37/97/72/335379772.db2.gz NGUIFHCLVSCABF-UHFFFAOYSA-N 2 0 261.394 2.360 20 30 CEEDRP C=CCC[N@@H+]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000981622398 613497437 /nfs/dbraw/zinc/49/74/37/613497437.db2.gz RIJBUYHFFLUWJM-UHFFFAOYSA-N 2 0 298.390 2.058 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1C ZINC000947551590 613791318 /nfs/dbraw/zinc/79/13/18/613791318.db2.gz MTHJODTWWYXJBN-ZFWWWQNUSA-N 2 0 298.390 2.103 20 30 CEEDRP C[N@@H+]1C[C@@H]2C[NH+](CC3CCC(C#N)CC3)C[C@]2(C)C1 ZINC000933733652 623983391 /nfs/dbraw/zinc/98/33/91/623983391.db2.gz HKMQRSONQRXCMY-FJBKBRRZSA-N 2 0 261.413 2.200 20 30 CEEDRP C=C(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926521339 624974443 /nfs/dbraw/zinc/97/44/43/624974443.db2.gz RONLBBYQKQEGHX-GOOCMWNKSA-N 2 0 252.402 2.184 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000104160675 628630355 /nfs/dbraw/zinc/63/03/55/628630355.db2.gz BZTGEGLFWUVHPE-HNNXBMFYSA-N 2 0 280.460 2.367 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000104175759 628686239 /nfs/dbraw/zinc/68/62/39/628686239.db2.gz CIFAHWAGPAVDLD-OAHLLOKOSA-N 2 0 274.412 2.370 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491729 634688989 /nfs/dbraw/zinc/68/89/89/634688989.db2.gz ZEXYMPADKHCYLC-NOLJZWGESA-N 2 0 255.365 2.263 20 30 CEEDRP N#Cc1ccc(NCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)nc1 ZINC000925894495 628987719 /nfs/dbraw/zinc/98/77/19/628987719.db2.gz ZFIMAKRXOHUVPI-CVEARBPZSA-N 2 0 293.374 2.100 20 30 CEEDRP C=CCCCCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000817932157 633785878 /nfs/dbraw/zinc/78/58/78/633785878.db2.gz RPHWLUNTYUIJKD-QLFBSQMISA-N 2 0 254.418 2.465 20 30 CEEDRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000817972380 633815254 /nfs/dbraw/zinc/81/52/54/633815254.db2.gz WMRPUMUMOHXMHM-DVOMOZLQSA-N 2 0 273.380 2.238 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000817971808 633815824 /nfs/dbraw/zinc/81/58/24/633815824.db2.gz QEZCZVDALYAUAW-JKIFEVAISA-N 2 0 272.392 2.347 20 30 CEEDRP N#CC1CCC(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000903447085 635132963 /nfs/dbraw/zinc/13/29/63/635132963.db2.gz CZNIDVVYGZSKTK-UIEKQHFFSA-N 2 0 261.413 2.376 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906591709 636790987 /nfs/dbraw/zinc/79/09/87/636790987.db2.gz FAUNKRLZSZWGHI-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP C#CC1CC[NH+](CC[C@H](C)[NH+]2CCC(C#C)CC2)CC1 ZINC000830343042 637042330 /nfs/dbraw/zinc/04/23/30/637042330.db2.gz KIXVGXOBWVKCOQ-INIZCTEOSA-N 2 0 272.436 2.455 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000911840308 638432154 /nfs/dbraw/zinc/43/21/54/638432154.db2.gz IIPJXSFDSRUCFM-HNNXBMFYSA-N 2 0 281.444 2.099 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000912015085 638523012 /nfs/dbraw/zinc/52/30/12/638523012.db2.gz UKMCZHSUEQVTEV-AWEZNQCLSA-N 2 0 281.444 2.051 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000876924421 650487978 /nfs/dbraw/zinc/48/79/78/650487978.db2.gz RXUMHZVONFZXAE-SFHVURJKSA-N 2 0 293.499 2.432 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000157397634 639487361 /nfs/dbraw/zinc/48/73/61/639487361.db2.gz SQNSQQSBDQUEDK-OAHLLOKOSA-N 2 0 280.460 2.059 20 30 CEEDRP C#C[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020684 641525036 /nfs/dbraw/zinc/52/50/36/641525036.db2.gz CYGFUOUZQLJYNX-OSFIAYCASA-N 2 0 270.420 2.233 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000996643709 642123728 /nfs/dbraw/zinc/12/37/28/642123728.db2.gz FLCBDEUXCDDPSA-INIZCTEOSA-N 2 0 293.455 2.018 20 30 CEEDRP CC[NH+](CC)[C@H](CNC(NC1CC1)=[NH+]C)CC(C)C ZINC000848984191 642206507 /nfs/dbraw/zinc/20/65/07/642206507.db2.gz XCOMSFINAXIBKJ-AWEZNQCLSA-N 2 0 268.449 2.070 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999876515 642517935 /nfs/dbraw/zinc/51/79/35/642517935.db2.gz OECFFVHBKDHLEJ-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP Cc1cc(C#N)cc(C)c1CNC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000921689861 642534121 /nfs/dbraw/zinc/53/41/21/642534121.db2.gz IBKAXNOFLRDNJT-DLBZAZTESA-N 2 0 299.418 2.128 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](CN(C)C)OCC)C1 ZINC000922755811 643246809 /nfs/dbraw/zinc/24/68/09/643246809.db2.gz IGXBWYVOALGGNV-KFWWJZLASA-N 2 0 254.418 2.288 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315106 643655085 /nfs/dbraw/zinc/65/50/85/643655085.db2.gz FGSYJQXASMVYQF-CQSZACIVSA-N 2 0 252.402 2.043 20 30 CEEDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOCCC#N)cc1 ZINC000859212411 645421724 /nfs/dbraw/zinc/42/17/24/645421724.db2.gz JFULJWRLKBBITC-UHFFFAOYSA-N 2 0 275.396 2.110 20 30 CEEDRP C=CCCn1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)nn1 ZINC000865764748 647457076 /nfs/dbraw/zinc/45/70/76/647457076.db2.gz OFJUFTGCLCOKBY-UHFFFAOYSA-N 2 0 291.443 2.207 20 30 CEEDRP C[NH+](C)CCOC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000792221687 648627784 /nfs/dbraw/zinc/62/77/84/648627784.db2.gz NDCRHCTTWIKSSP-UHFFFAOYSA-N 2 0 286.419 2.081 20 30 CEEDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000872228533 649322420 /nfs/dbraw/zinc/32/24/20/649322420.db2.gz JFNHHWQOOPVJOG-NFOMZHRRSA-N 2 0 262.401 2.282 20 30 CEEDRP N#Cc1ccccc1N1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000873239146 649605356 /nfs/dbraw/zinc/60/53/56/649605356.db2.gz OSXOEZMLHWNXCK-YOEHRIQHSA-N 2 0 298.434 2.244 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](C#N)CCC#N)CC2 ZINC000879248434 651270241 /nfs/dbraw/zinc/27/02/41/651270241.db2.gz OHLVCMAEGKIGDF-OAHLLOKOSA-N 2 0 274.412 2.238 20 30 CEEDRP FC[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](CF)C2)C1 ZINC000880236930 651406376 /nfs/dbraw/zinc/40/63/76/651406376.db2.gz MJKVQGMFQZAKKC-IYBDPMFKSA-N 2 0 284.394 2.353 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@@H](CCC=C)[C@H]1CCCO1 ZINC000883224159 652405758 /nfs/dbraw/zinc/40/57/58/652405758.db2.gz GLUPYRFWECEWTM-JKSUJKDBSA-N 2 0 264.413 2.045 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000883431974 652467594 /nfs/dbraw/zinc/46/75/94/652467594.db2.gz HWSQGPSMXNREQE-AEGPPILISA-N 2 0 252.402 2.169 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001087569859 805752500 /nfs/dbraw/zinc/75/25/00/805752500.db2.gz QKPBIBAKKKRQLZ-XHSDSOJGSA-N 2 0 293.455 2.014 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001168030055 805821640 /nfs/dbraw/zinc/82/16/40/805821640.db2.gz MCGXBPZLBTUPAT-JKSUJKDBSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001271286772 805906608 /nfs/dbraw/zinc/90/66/08/805906608.db2.gz WSFUFUXZZQIYTN-HRCADAONSA-N 2 0 295.471 2.023 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271665441 806016624 /nfs/dbraw/zinc/01/66/24/806016624.db2.gz LCAFOKKRQAYMAA-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001088336672 806134110 /nfs/dbraw/zinc/13/41/10/806134110.db2.gz JKBXXCVCRZTJON-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001271902973 806134956 /nfs/dbraw/zinc/13/49/56/806134956.db2.gz TZIWEOQJGFGHHE-JKSUJKDBSA-N 2 0 295.471 2.025 20 30 CEEDRP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)[C@H]1C ZINC001088563086 806419693 /nfs/dbraw/zinc/41/96/93/806419693.db2.gz CHDIAFPUULCWFF-OWCLPIDISA-N 2 0 293.455 2.014 20 30 CEEDRP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267110381 803136474 /nfs/dbraw/zinc/13/64/74/803136474.db2.gz BBADQPOXRVUUQG-JKSUJKDBSA-N 2 0 295.471 2.072 20 30 CEEDRP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001267620201 803625958 /nfs/dbraw/zinc/62/59/58/803625958.db2.gz YVNOEPUXRZJHGS-MRXNPFEDSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001267968812 803862201 /nfs/dbraw/zinc/86/22/01/803862201.db2.gz CVSSGONBVSDXLG-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001028001906 804389552 /nfs/dbraw/zinc/38/95/52/804389552.db2.gz AKOMKQJWNRRMJX-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001284220096 804907432 /nfs/dbraw/zinc/90/74/32/804907432.db2.gz NCYLNEZHCKOHOX-HUUCEWRRSA-N 2 0 295.471 2.025 20 30 CEEDRP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)[C@@H](C)C1 ZINC001269981122 805301987 /nfs/dbraw/zinc/30/19/87/805301987.db2.gz JVBADJLXSGIAIF-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP N#Cc1ccc(CCC[N@H+]2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205095256 807586733 /nfs/dbraw/zinc/58/67/33/807586733.db2.gz WHUJJHGPXZIYKA-MRXNPFEDSA-N 2 0 257.381 2.304 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127479318 808009252 /nfs/dbraw/zinc/00/92/52/808009252.db2.gz CDHYPZULXNHKBG-INIZCTEOSA-N 2 0 295.471 2.004 20 30 CEEDRP C#CCOc1ccc(CN(C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236209365 808015672 /nfs/dbraw/zinc/01/56/72/808015672.db2.gz WUYCYJMJWNBHEE-QGZVFWFLSA-N 2 0 272.392 2.273 20 30 CEEDRP C[N@@H+]1CCCC[C@@H](CNCC#Cc2ccccc2)C1 ZINC000700803084 809354718 /nfs/dbraw/zinc/35/47/18/809354718.db2.gz MZNCETNINIQSPL-KRWDZBQOSA-N 2 0 256.393 2.360 20 30 CEEDRP N#Cc1ccc(CCC[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)cc1 ZINC001206157135 815298021 /nfs/dbraw/zinc/29/80/21/815298021.db2.gz WGMKMIUCSUOVHB-CVEARBPZSA-N 2 0 275.371 2.252 20 30 CEEDRP C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001015035045 810255230 /nfs/dbraw/zinc/25/52/30/810255230.db2.gz YESZVVKGVLOUNZ-AWEZNQCLSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001122103189 815384889 /nfs/dbraw/zinc/38/48/89/815384889.db2.gz WKEBUPXTCYJILV-HNNXBMFYSA-N 2 0 293.455 2.004 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC001172295412 815386997 /nfs/dbraw/zinc/38/69/97/815386997.db2.gz RFCOHPBMJUNODD-YOEHRIQHSA-N 2 0 271.408 2.421 20 30 CEEDRP C#Cc1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC001169101489 811373903 /nfs/dbraw/zinc/37/39/03/811373903.db2.gz STAXHSRACMBIET-BJWYYQGGSA-N 2 0 254.377 2.383 20 30 CEEDRP C#CCCC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)N=N1 ZINC001169124652 811392383 /nfs/dbraw/zinc/39/23/83/811392383.db2.gz RYKXEUOIWMXIIP-BTTYYORXSA-N 2 0 260.385 2.167 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCOc1cccc(C#N)c1)C2 ZINC001169114803 811406638 /nfs/dbraw/zinc/40/66/38/811406638.db2.gz YSHASJAOWXKXAY-PHZGNYQRSA-N 2 0 285.391 2.152 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129840501 812515513 /nfs/dbraw/zinc/51/55/13/812515513.db2.gz GVSKBSLXSKYJFC-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP CC[NH+](CC)CCCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254668200 812569018 /nfs/dbraw/zinc/56/90/18/812569018.db2.gz FIAUFKLPRPHUAC-IRXDYDNUSA-N 2 0 292.471 2.028 20 30 CEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@@H]1C ZINC001132153683 812791146 /nfs/dbraw/zinc/79/11/46/812791146.db2.gz SVUYAUXKAWQHQL-LSDHHAIUSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CCCC[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)CC[C@@H]1C ZINC001132248827 812810546 /nfs/dbraw/zinc/81/05/46/812810546.db2.gz JHSPHEADZBRJFU-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)CC[C@H]1C ZINC001132377737 812838271 /nfs/dbraw/zinc/83/82/71/812838271.db2.gz ZUVWHLDLQZMZQD-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517419 812869984 /nfs/dbraw/zinc/86/99/84/812869984.db2.gz CCAVAFSADUEDDX-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[C@@H]1C ZINC001132517421 812870558 /nfs/dbraw/zinc/87/05/58/812870558.db2.gz CCAVAFSADUEDDX-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849600 813166366 /nfs/dbraw/zinc/16/63/66/813166366.db2.gz AJKUQAXTKKXDMP-OAHLLOKOSA-N 2 0 283.460 2.004 20 30 CEEDRP C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001135316667 813408214 /nfs/dbraw/zinc/40/82/14/813408214.db2.gz VWLQPNQNQDXSEF-GJZGRUSLSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CC ZINC001135860318 813547967 /nfs/dbraw/zinc/54/79/67/813547967.db2.gz ADGOAHZFHGELAM-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001135977773 813580570 /nfs/dbraw/zinc/58/05/70/813580570.db2.gz YUORYAZPXBURNS-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995825 813583350 /nfs/dbraw/zinc/58/33/50/813583350.db2.gz LNBSWWJQEJFEAC-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144166361 813978295 /nfs/dbraw/zinc/97/82/95/813978295.db2.gz ANGYAONLTSJYJF-UHFFFAOYSA-N 2 0 284.407 2.261 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CC)C1 ZINC001100829668 814196804 /nfs/dbraw/zinc/19/68/04/814196804.db2.gz GHAKPKNXQUZQDN-FHERZECASA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001171247521 814223193 /nfs/dbraw/zinc/22/31/93/814223193.db2.gz LLWUWZUYZINGRP-ZBFHGGJFSA-N 2 0 295.471 2.167 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900463 814511385 /nfs/dbraw/zinc/51/13/85/814511385.db2.gz NZPGJCKMWAZNBO-OAHLLOKOSA-N 2 0 283.460 2.004 20 30 CEEDRP CC(C)[NH+]1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173589374 815754461 /nfs/dbraw/zinc/75/44/61/815754461.db2.gz WLNODFHXCWQYAM-UHFFFAOYSA-N 2 0 292.471 2.074 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)C[N@@H+](C)CCCCCC)CC1 ZINC001202974222 816119659 /nfs/dbraw/zinc/11/96/59/816119659.db2.gz SSSSKPIEJMAKKP-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042490 816128231 /nfs/dbraw/zinc/12/82/31/816128231.db2.gz VGGITISCUBTYBY-HNNXBMFYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001176164334 816366031 /nfs/dbraw/zinc/36/60/31/816366031.db2.gz ARNZOOPSHXETTP-CVEARBPZSA-N 2 0 295.471 2.169 20 30 CEEDRP CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001176231395 816371403 /nfs/dbraw/zinc/37/14/03/816371403.db2.gz VHGUORGDQQUAHN-INIZCTEOSA-N 2 0 295.471 2.006 20 30 CEEDRP C=CCCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176563622 816441468 /nfs/dbraw/zinc/44/14/68/816441468.db2.gz GGMXYBGQFOGPGA-HZPDHXFCSA-N 2 0 295.471 2.169 20 30 CEEDRP C#CCC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC001179489423 816867564 /nfs/dbraw/zinc/86/75/64/816867564.db2.gz NLOVBVNHEUFKMB-KRWDZBQOSA-N 2 0 278.440 2.147 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001179516372 816869010 /nfs/dbraw/zinc/86/90/10/816869010.db2.gz AIFNYJJGLSWACR-JYJNAYRXSA-N 2 0 295.471 2.262 20 30 CEEDRP C=C(C)C[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179587366 816881560 /nfs/dbraw/zinc/88/15/60/816881560.db2.gz ZTWSRTDGTITFLW-MRXNPFEDSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001179586016 816884812 /nfs/dbraw/zinc/88/48/12/816884812.db2.gz LNGZMKCYZHMPEI-MRXNPFEDSA-N 2 0 295.471 2.171 20 30 CEEDRP CC1CCN(C(=[NH2+])NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000122460768 365627879 /nfs/dbraw/zinc/62/78/79/365627879.db2.gz PIDSZKHSSRCVAA-UHFFFAOYSA-N 2 0 288.439 2.295 20 30 CEEDRP C[NH+]=C(NCC[C@H](C)[N@H+](C)Cc1ccccc1)NC1CC1 ZINC000081777950 344064384 /nfs/dbraw/zinc/06/43/84/344064384.db2.gz HKAPJMLEQLTNST-AWEZNQCLSA-N 2 0 288.439 2.224 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCC2([NH+](C)C)CCC2)c1 ZINC000275499120 344669998 /nfs/dbraw/zinc/66/99/98/344669998.db2.gz BWASYAWMJLLYQM-UHFFFAOYSA-N 2 0 274.412 2.460 20 30 CEEDRP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602512790 347062840 /nfs/dbraw/zinc/06/28/40/347062840.db2.gz ZCDOKGYUPDXOAP-OAHLLOKOSA-N 2 0 281.444 2.405 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000404626100 344881660 /nfs/dbraw/zinc/88/16/60/344881660.db2.gz CCFBPOUMQQTUFL-RBSFLKMASA-N 2 0 273.355 2.175 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000404626109 344881662 /nfs/dbraw/zinc/88/16/62/344881662.db2.gz CCFBPOUMQQTUFL-SOUVJXGZSA-N 2 0 273.355 2.175 20 30 CEEDRP CC[C@@H](CC#N)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000054183359 362518143 /nfs/dbraw/zinc/51/81/43/362518143.db2.gz XSXMOSJKZJKQAA-ZDUSSCGKSA-N 2 0 258.369 2.332 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1Cl ZINC000591573260 345265156 /nfs/dbraw/zinc/26/51/56/345265156.db2.gz CEOBJZYSGQZART-JSGCOSHPSA-N 2 0 263.772 2.429 20 30 CEEDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573300 345265211 /nfs/dbraw/zinc/26/52/11/345265211.db2.gz HZJABLZQMPNUNM-NXEZZACHSA-N 2 0 251.761 2.427 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000591578404 345265876 /nfs/dbraw/zinc/26/58/76/345265876.db2.gz ZKQREQTVOHROIQ-GOEBONIOSA-N 2 0 255.365 2.277 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591578278 345266081 /nfs/dbraw/zinc/26/60/81/345266081.db2.gz LEVKNRGWPVNVLK-INIZCTEOSA-N 2 0 298.434 2.259 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000592470742 345358222 /nfs/dbraw/zinc/35/82/22/345358222.db2.gz GRMNHKNBFOQOSN-HOTGVXAUSA-N 2 0 257.381 2.360 20 30 CEEDRP C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)C1C[NH2+]C1 ZINC000594585116 345652103 /nfs/dbraw/zinc/65/21/03/345652103.db2.gz MSEVOTWRNYTFRZ-LBPRGKRZSA-N 2 0 255.365 2.135 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000595073182 345739684 /nfs/dbraw/zinc/73/96/84/345739684.db2.gz SXMODRFFERNGTB-KURKYZTESA-N 2 0 299.418 2.035 20 30 CEEDRP N#C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)C1 ZINC000595103652 345742881 /nfs/dbraw/zinc/74/28/81/345742881.db2.gz NMVCNFFCTVBQSG-CVEARBPZSA-N 2 0 261.413 2.390 20 30 CEEDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000596652368 346072146 /nfs/dbraw/zinc/07/21/46/346072146.db2.gz SSNLCDTXEZBFSP-XJKSGUPXSA-N 2 0 257.381 2.078 20 30 CEEDRP N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000600768905 346686127 /nfs/dbraw/zinc/68/61/27/346686127.db2.gz HRUHKQJTUSHHIK-MAZHCROVSA-N 2 0 289.379 2.012 20 30 CEEDRP C=CCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629560538 351414510 /nfs/dbraw/zinc/41/45/10/351414510.db2.gz FOGJBVBLNYRCDX-WDEREUQCSA-N 2 0 250.308 2.412 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH3+])CC1)CC2 ZINC000335138578 283197663 /nfs/dbraw/zinc/19/76/63/283197663.db2.gz QLBOSALEBXEFQI-ZBCRRDGASA-N 2 0 255.365 2.405 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCCSCC#N)CC[C@@H]21 ZINC000158748484 366860464 /nfs/dbraw/zinc/86/04/64/366860464.db2.gz RZCUEAOXLLILQV-KGLIPLIRSA-N 2 0 267.442 2.049 20 30 CEEDRP C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000341265390 367255521 /nfs/dbraw/zinc/25/55/21/367255521.db2.gz AIBHSKPSHIWUCW-HUUCEWRRSA-N 2 0 268.445 2.412 20 30 CEEDRP Cc1ccc([C@H](CNC(=[NH2+])N(C)C)[NH+]2CCCC2)cc1 ZINC000170911995 367446648 /nfs/dbraw/zinc/44/66/48/367446648.db2.gz TTZHKTZNUDFSGA-HNNXBMFYSA-N 2 0 274.412 2.008 20 30 CEEDRP C[NH+](C)CC1CCC([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352839605 369906698 /nfs/dbraw/zinc/90/66/98/369906698.db2.gz NKGIFZDWZORKTR-UHFFFAOYSA-N 2 0 278.425 2.225 20 30 CEEDRP C#CCSCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000231936699 370498852 /nfs/dbraw/zinc/49/88/52/370498852.db2.gz IFLSFOOBDKHOAM-UHFFFAOYSA-N 2 0 275.421 2.006 20 30 CEEDRP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000246852769 371021492 /nfs/dbraw/zinc/02/14/92/371021492.db2.gz CEZNZLNMMZYBEC-AAEUAGOBSA-N 2 0 280.441 2.007 20 30 CEEDRP C[NH+]=C(NCC[NH+](C(C)C)C(C)C)NCc1ccco1 ZINC000264081435 371965175 /nfs/dbraw/zinc/96/51/75/371965175.db2.gz USHTVDNLZJWAIZ-UHFFFAOYSA-N 2 0 280.416 2.063 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@H+]2C)c1 ZINC000264106785 371970154 /nfs/dbraw/zinc/97/01/54/371970154.db2.gz PTFYMUQYPFAMHP-CQSZACIVSA-N 2 0 260.385 2.124 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000264238261 371987897 /nfs/dbraw/zinc/98/78/97/371987897.db2.gz DQSFGHIHBBTODX-GFCCVEGCSA-N 2 0 274.412 2.458 20 30 CEEDRP C=CC[C@@H](CC)[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644638945 373577281 /nfs/dbraw/zinc/57/72/81/373577281.db2.gz LNFUDHNACXQQGM-IAGOWNOFSA-N 2 0 276.424 2.424 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1C#N ZINC000423119271 377014666 /nfs/dbraw/zinc/01/46/66/377014666.db2.gz BYURXJIBKVBWHE-IUODEOHRSA-N 2 0 273.380 2.045 20 30 CEEDRP C=CCCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000565755832 377694843 /nfs/dbraw/zinc/69/48/43/377694843.db2.gz GMCKELADYUAFPR-KRWDZBQOSA-N 2 0 279.472 2.445 20 30 CEEDRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000332380648 394637464 /nfs/dbraw/zinc/63/74/64/394637464.db2.gz GMJNZDKWGRWGEG-YOEHRIQHSA-N 2 0 298.434 2.257 20 30 CEEDRP N#Cc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000268954875 394703869 /nfs/dbraw/zinc/70/38/69/394703869.db2.gz FZPIXEQDQSGVDD-ZWKOTPCHSA-N 2 0 299.418 2.026 20 30 CEEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1ccccc1 ZINC000104153211 394717787 /nfs/dbraw/zinc/71/77/87/394717787.db2.gz SXDLHTVDABXPQJ-INIZCTEOSA-N 2 0 288.439 2.008 20 30 CEEDRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)ccc1C#N ZINC000414900759 394795761 /nfs/dbraw/zinc/79/57/61/394795761.db2.gz IXEYBOUZOUNTQZ-UHFFFAOYSA-N 2 0 273.380 2.046 20 30 CEEDRP C[C@@H]1CCNC[C@H]1[NH2+]CCSCc1ccccc1C#N ZINC000422989494 394874745 /nfs/dbraw/zinc/87/47/45/394874745.db2.gz LYXBTTHDGJDLNE-CZUORRHYSA-N 2 0 289.448 2.379 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)C1 ZINC000362236450 394850063 /nfs/dbraw/zinc/85/00/63/394850063.db2.gz FQWXFVMUZRJOGV-JJTUDDRGSA-N 2 0 291.439 2.158 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000153556152 395010340 /nfs/dbraw/zinc/01/03/40/395010340.db2.gz HZUBFDREHRWKQM-QGZVFWFLSA-N 2 0 286.423 2.131 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C1 ZINC000651952924 401423251 /nfs/dbraw/zinc/42/32/51/401423251.db2.gz IETLKLYORKZOFO-IRXDYDNUSA-N 2 0 279.472 2.348 20 30 CEEDRP C=CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](C)COC ZINC000662299742 415762133 /nfs/dbraw/zinc/76/21/33/415762133.db2.gz WOTJUFOZWWIIHH-CQSZACIVSA-N 2 0 274.408 2.355 20 30 CEEDRP C=CC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](C)COC ZINC000662299707 415763211 /nfs/dbraw/zinc/76/32/11/415763211.db2.gz VUEUMGMGMNMBPJ-AWEZNQCLSA-N 2 0 274.408 2.355 20 30 CEEDRP C=CC[C@]1(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662430921 415839956 /nfs/dbraw/zinc/83/99/56/415839956.db2.gz WQEXCMOXWFRLJO-SUMWQHHRSA-N 2 0 287.407 2.021 20 30 CEEDRP C=CCCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325204 415781094 /nfs/dbraw/zinc/78/10/94/415781094.db2.gz CPRNVPVSLNXXNK-OAHLLOKOSA-N 2 0 254.418 2.385 20 30 CEEDRP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662680423 415928989 /nfs/dbraw/zinc/92/89/89/415928989.db2.gz VAEAWRNLIZNABS-HLLBOEOZSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[C@@]1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000662672569 415926310 /nfs/dbraw/zinc/92/63/10/415926310.db2.gz BPMRELPAALWHRA-KRWDZBQOSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[C@]1(C(=O)NCCC[N@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662668534 415926722 /nfs/dbraw/zinc/92/67/22/415926722.db2.gz OJJIYZJRMXDSAA-NVXWUHKLSA-N 2 0 293.455 2.065 20 30 CEEDRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449182757 260282905 /nfs/dbraw/zinc/28/29/05/260282905.db2.gz AXRCUQCMJAGYGO-UHFFFAOYSA-N 2 0 293.455 2.284 20 30 CEEDRP CC(C)(C#N)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363472031 260312559 /nfs/dbraw/zinc/31/25/59/260312559.db2.gz PJOBEUXMMZSSBG-UHFFFAOYSA-N 2 0 293.455 2.361 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364340000 262209745 /nfs/dbraw/zinc/20/97/45/262209745.db2.gz FNIAQTUGVIVSAZ-SOUVJXGZSA-N 2 0 252.402 2.042 20 30 CEEDRP CNC(=[NH2+])NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000264106868 262872466 /nfs/dbraw/zinc/87/24/66/262872466.db2.gz PUUNQYUXMVUAIS-UHFFFAOYSA-N 2 0 288.439 2.485 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414961967 263166673 /nfs/dbraw/zinc/16/66/73/263166673.db2.gz ZKAVCNROCJQVEU-ZFWWWQNUSA-N 2 0 260.381 2.482 20 30 CEEDRP C#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368024414 267136397 /nfs/dbraw/zinc/13/63/97/267136397.db2.gz UIBIHNLGCGJBOV-CEXWTWQISA-N 2 0 298.430 2.351 20 30 CEEDRP CN(C)C(=[NH+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)N(C)C ZINC000370163356 267296440 /nfs/dbraw/zinc/29/64/40/267296440.db2.gz SJLALFCEHXSQEL-GXTWGEPZSA-N 2 0 294.468 2.220 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000341265387 328405781 /nfs/dbraw/zinc/40/57/81/328405781.db2.gz AIBHSKPSHIWUCW-GJZGRUSLSA-N 2 0 268.445 2.412 20 30 CEEDRP C=C(C)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957087 329153568 /nfs/dbraw/zinc/15/35/68/329153568.db2.gz ZXAXSGMIGAJNNF-UHFFFAOYSA-N 2 0 252.402 2.139 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000262417095 330009007 /nfs/dbraw/zinc/00/90/07/330009007.db2.gz QIVYDSRUQPRXBG-TZMCWYRMSA-N 2 0 294.468 2.444 20 30 CEEDRP [NH2+]=C(NCC1CC[NH+](C2CC2)CC1)NC1CCCCC1 ZINC000262757198 330029616 /nfs/dbraw/zinc/02/96/16/330029616.db2.gz DUNGCJQCRJZBHX-UHFFFAOYSA-N 2 0 278.444 2.098 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000422832243 330156779 /nfs/dbraw/zinc/15/67/79/330156779.db2.gz KYISELWRPIHLNB-IXDOHACOSA-N 2 0 279.472 2.273 20 30 CEEDRP C=CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000422910049 330159716 /nfs/dbraw/zinc/15/97/16/330159716.db2.gz POPUNNKNTSYJBR-HIFRSBDPSA-N 2 0 260.381 2.468 20 30 CEEDRP C=C(C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccccc1 ZINC000423021942 330165665 /nfs/dbraw/zinc/16/56/65/330165665.db2.gz DBCKQHFDCDEZDI-FVQBIDKESA-N 2 0 260.381 2.042 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095699 330169750 /nfs/dbraw/zinc/16/97/50/330169750.db2.gz MZVZKZRFTBQEEB-XQLPTFJDSA-N 2 0 252.402 2.088 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423409191 330197090 /nfs/dbraw/zinc/19/70/90/330197090.db2.gz BJGSWVXHDNJWCB-CABCVRRESA-N 2 0 254.418 2.480 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCCCCC)CC1 ZINC000732289650 574618410 /nfs/dbraw/zinc/61/84/10/574618410.db2.gz VGDMKTVFBIPPNK-UHFFFAOYSA-N 2 0 295.471 2.265 20 30 CEEDRP C=CCC[NH+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000968780314 613490312 /nfs/dbraw/zinc/49/03/12/613490312.db2.gz CQALQSXUIJCILV-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902364987 634619629 /nfs/dbraw/zinc/61/96/29/634619629.db2.gz VZFHNWACOWZVQP-INIZCTEOSA-N 2 0 279.472 2.395 20 30 CEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[NH+](C)C ZINC000104152810 628361274 /nfs/dbraw/zinc/36/12/74/628361274.db2.gz PFTFOGXUAYJUOO-CYBMUJFWSA-N 2 0 256.438 2.057 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000104170117 628656894 /nfs/dbraw/zinc/65/68/94/628656894.db2.gz GXVNIFALDJXBCK-HUUCEWRRSA-N 2 0 280.460 2.225 20 30 CEEDRP C=C1CCC(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000925834187 628929657 /nfs/dbraw/zinc/92/96/57/628929657.db2.gz GKZGLTAYIQVWSA-GVDBMIGSSA-N 2 0 278.440 2.480 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000261988473 629410971 /nfs/dbraw/zinc/41/09/71/629410971.db2.gz KYORHBMTJPRUIZ-KBPBESRZSA-N 2 0 280.460 2.223 20 30 CEEDRP C#C[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000894574378 629541063 /nfs/dbraw/zinc/54/10/63/629541063.db2.gz DXULAAYSDRDHLS-MRXNPFEDSA-N 2 0 260.356 2.431 20 30 CEEDRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCCCC1 ZINC000303902678 631093641 /nfs/dbraw/zinc/09/36/41/631093641.db2.gz XZGSQBHAEKLTQC-OAHLLOKOSA-N 2 0 280.460 2.442 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989121681 631728956 /nfs/dbraw/zinc/72/89/56/631728956.db2.gz UGKOIDLSXOFFCG-ZFWWWQNUSA-N 2 0 298.390 2.103 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000989121674 631729054 /nfs/dbraw/zinc/72/90/54/631729054.db2.gz UGKOIDLSXOFFCG-DZGCQCFKSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CCN(CCC#N)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814171650 632797664 /nfs/dbraw/zinc/79/76/64/632797664.db2.gz SOOFADOTIMTGLC-UHFFFAOYSA-N 2 0 298.434 2.340 20 30 CEEDRP C=CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1ccncc1 ZINC000817893678 633756142 /nfs/dbraw/zinc/75/61/42/633756142.db2.gz GLPYOWJKWSYXLB-LSDHHAIUSA-N 2 0 263.385 2.042 20 30 CEEDRP COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1C#N ZINC000817916073 633774653 /nfs/dbraw/zinc/77/46/53/633774653.db2.gz ULOJAFHOYARJBZ-ZFWWWQNUSA-N 2 0 273.380 2.174 20 30 CEEDRP C[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccc(OCC#N)cc1 ZINC000817917057 633775571 /nfs/dbraw/zinc/77/55/71/633775571.db2.gz DQFJTSXUUFCSHJ-QWHCGFSZSA-N 2 0 261.369 2.367 20 30 CEEDRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(OCC#N)cc1 ZINC000817941967 633790197 /nfs/dbraw/zinc/79/01/97/633790197.db2.gz UYEPPJWATOXYJK-CYBMUJFWSA-N 2 0 273.380 2.239 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000817980404 633823328 /nfs/dbraw/zinc/82/33/28/633823328.db2.gz AOZIOTNEARPZLS-OFQRWUPVSA-N 2 0 272.392 2.477 20 30 CEEDRP N#CC1CCC(C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000903424770 635124138 /nfs/dbraw/zinc/12/41/38/635124138.db2.gz GDORKRBJBVTCOS-UHFFFAOYSA-N 2 0 279.428 2.146 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000903461076 635126473 /nfs/dbraw/zinc/12/64/73/635126473.db2.gz OLMTWPWOQFICQP-DZGCQCFKSA-N 2 0 257.381 2.487 20 30 CEEDRP N#Cc1ccc([C@H]2C[N@H+](C[C@H]3CC[C@@H]([NH3+])C3)CCO2)cc1 ZINC000903823411 635291119 /nfs/dbraw/zinc/29/11/19/635291119.db2.gz GPQSQMVKNOJHKK-USXIJHARSA-N 2 0 285.391 2.059 20 30 CEEDRP N#Cc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825006 635292710 /nfs/dbraw/zinc/29/27/10/635292710.db2.gz XAZAPLWWXCVIMI-AEFFLSMTSA-N 2 0 299.418 2.321 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911848774 638443582 /nfs/dbraw/zinc/44/35/82/638443582.db2.gz WXTNHNKLCBJOEY-SMDDNHRTSA-N 2 0 261.369 2.328 20 30 CEEDRP CNC(NCc1ccccc1C[NH+]1CCC(C)CC1)=[NH+]C ZINC000057887220 639467018 /nfs/dbraw/zinc/46/70/18/639467018.db2.gz MYCPXQLHBIFLIY-UHFFFAOYSA-N 2 0 288.439 2.213 20 30 CEEDRP CC(C)(CNC(=[NH2+])Nc1ccccn1)[NH+]1CCCCC1 ZINC000170906370 639683819 /nfs/dbraw/zinc/68/38/19/639683819.db2.gz ZDZLGGPCHVAOOI-UHFFFAOYSA-N 2 0 275.400 2.073 20 30 CEEDRP N#CCOc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000843339945 640394345 /nfs/dbraw/zinc/39/43/45/640394345.db2.gz FEKWSDKWCMMVDZ-HRCADAONSA-N 2 0 285.391 2.067 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000844920510 640866291 /nfs/dbraw/zinc/86/62/91/640866291.db2.gz DATYUGPXWLCTFH-AWEZNQCLSA-N 2 0 272.392 2.478 20 30 CEEDRP C[NH+]=C(NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)NC1CC1 ZINC000848997279 642216850 /nfs/dbraw/zinc/21/68/50/642216850.db2.gz UCQUMLXFKOGUOY-BETUJISGSA-N 2 0 280.460 2.070 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001000990216 642676694 /nfs/dbraw/zinc/67/66/94/642676694.db2.gz AUDGCGGDYNNHRD-INIZCTEOSA-N 2 0 293.455 2.019 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000921978677 642824020 /nfs/dbraw/zinc/82/40/20/642824020.db2.gz ULYDKZCAKHCWIJ-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP C=CCC[C@@H](O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000923352298 643676825 /nfs/dbraw/zinc/67/68/25/643676825.db2.gz CQWFSBCZVYMPPJ-OAHLLOKOSA-N 2 0 254.418 2.155 20 30 CEEDRP C#CC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862444524 646461578 /nfs/dbraw/zinc/46/15/78/646461578.db2.gz BKHFILKVYMWXPE-KRWDZBQOSA-N 2 0 297.446 2.284 20 30 CEEDRP C=CC[NH+]1CCC(Nc2cc[nH+]cc2C2CC2)CC1 ZINC000872446436 649393474 /nfs/dbraw/zinc/39/34/74/649393474.db2.gz GVVCMDKUIZCMAW-UHFFFAOYSA-N 2 0 257.381 2.443 20 30 CEEDRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(c2ccccc2C#N)CC1 ZINC000873239138 649605261 /nfs/dbraw/zinc/60/52/61/649605261.db2.gz OPFPXELMAZIEAI-UONOGXRCSA-N 2 0 286.423 2.242 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000873274186 649620941 /nfs/dbraw/zinc/62/09/41/649620941.db2.gz BKDCBKOIUSNMIO-DQYPLSBCSA-N 2 0 269.392 2.003 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000878670711 651160094 /nfs/dbraw/zinc/16/00/94/651160094.db2.gz PHNQIFFIFHWHSM-AWEZNQCLSA-N 2 0 254.418 2.024 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000879251277 651270501 /nfs/dbraw/zinc/27/05/01/651270501.db2.gz RZPFCGWHAPTDQR-LSDHHAIUSA-N 2 0 261.413 2.486 20 30 CEEDRP C#CCN(C)CCC[NH2+][C@H](CCC=C)[C@H]1CCCO1 ZINC000883224158 652405698 /nfs/dbraw/zinc/40/56/98/652405698.db2.gz GLUPYRFWECEWTM-HZPDHXFCSA-N 2 0 264.413 2.045 20 30 CEEDRP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001270967571 805700872 /nfs/dbraw/zinc/70/08/72/805700872.db2.gz KAVDXOGZFLJKQZ-OWCLPIDISA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001271075295 805734148 /nfs/dbraw/zinc/73/41/48/805734148.db2.gz LXGDBMLEUSTQFY-HZPDHXFCSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001271540115 805988362 /nfs/dbraw/zinc/98/83/62/805988362.db2.gz PHUDCOYJNJDQNJ-CVEARBPZSA-N 2 0 295.471 2.121 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001088279221 806080528 /nfs/dbraw/zinc/08/05/28/806080528.db2.gz NFFZCEPELGULNR-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001088426450 806203051 /nfs/dbraw/zinc/20/30/51/806203051.db2.gz VIHOUNONTSVHGH-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=C(C)CN(CC)c1cccc(N2CCC([NH3+])CC2)[nH+]1 ZINC001167050971 802337969 /nfs/dbraw/zinc/33/79/69/802337969.db2.gz OANABMYJMHPICT-UHFFFAOYSA-N 2 0 274.412 2.412 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001203203151 802824821 /nfs/dbraw/zinc/82/48/21/802824821.db2.gz HKUYULCXARWZFB-HNNXBMFYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CCCCC1 ZINC001115571956 814723906 /nfs/dbraw/zinc/72/39/06/814723906.db2.gz WHIXVDPFIAKOHK-UHFFFAOYSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027879737 804315221 /nfs/dbraw/zinc/31/52/21/804315221.db2.gz XCUFHXOPCWGEFK-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001028029966 804403765 /nfs/dbraw/zinc/40/37/65/804403765.db2.gz OUIIZYLNRYNQFD-OAHLLOKOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=C(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001268158508 804493568 /nfs/dbraw/zinc/49/35/68/804493568.db2.gz FTXZDRRSLVZVQU-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001268239060 804566496 /nfs/dbraw/zinc/56/64/96/804566496.db2.gz OWEGPICSOJMQRL-OAHLLOKOSA-N 2 0 295.471 2.216 20 30 CEEDRP C=C(C)CC[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC001270791948 805551211 /nfs/dbraw/zinc/55/12/11/805551211.db2.gz SQZCAUJAHJIQQB-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C#CCCCCCC[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000877016754 807093020 /nfs/dbraw/zinc/09/30/20/807093020.db2.gz PJBGYRWIYPHCTO-QGZVFWFLSA-N 2 0 279.472 2.043 20 30 CEEDRP C=CC[NH2+]CCN(C[C@@H]1CCC[NH2+]C1)C1CCCC1 ZINC001236370393 808086085 /nfs/dbraw/zinc/08/60/85/808086085.db2.gz FFDDKGZIPHBILP-OAHLLOKOSA-N 2 0 265.445 2.006 20 30 CEEDRP C=C(C)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463408 808404051 /nfs/dbraw/zinc/40/40/51/808404051.db2.gz GBYZDCYIPWLVRL-MRXNPFEDSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCCCCCOC(=O)NCCC[N@H+](C)CCC[NH3+] ZINC001239321165 808568974 /nfs/dbraw/zinc/56/89/74/808568974.db2.gz GVEBKBYJTVXPNO-UHFFFAOYSA-N 2 0 287.448 2.354 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001019067950 810673677 /nfs/dbraw/zinc/67/36/77/810673677.db2.gz WCEILAIOIHWWSZ-AWEZNQCLSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001122185575 815391782 /nfs/dbraw/zinc/39/17/82/815391782.db2.gz UYTUKVJMZOUYSR-ZNMIVQPWSA-N 2 0 281.444 2.027 20 30 CEEDRP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC001085724151 810891677 /nfs/dbraw/zinc/89/16/77/810891677.db2.gz OQAAJDUZXJNREP-INIZCTEOSA-N 2 0 298.390 2.057 20 30 CEEDRP C=CCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001038783896 810912636 /nfs/dbraw/zinc/91/26/36/810912636.db2.gz ZRKCSTGQNSCFTG-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001273428517 811128438 /nfs/dbraw/zinc/12/84/38/811128438.db2.gz PDWFMKAWJKSWIF-CVEARBPZSA-N 2 0 295.471 2.119 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001086428731 811139830 /nfs/dbraw/zinc/13/98/30/811139830.db2.gz GXPQZYURHVXDDP-CTYIDZIISA-N 2 0 298.390 2.008 20 30 CEEDRP C[C@@H](CCCC#N)[NH2+][C@@H]1CCN(CC2CCOCC2)C1 ZINC001172489596 815450773 /nfs/dbraw/zinc/45/07/73/815450773.db2.gz WIKGLQCBNSLCSS-GOEBONIOSA-N 2 0 279.428 2.159 20 30 CEEDRP CC[NH+](CC)CCCN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172502773 815456690 /nfs/dbraw/zinc/45/66/90/815456690.db2.gz WMMVTZGDUYLAMA-QGZVFWFLSA-N 2 0 294.487 2.418 20 30 CEEDRP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCC[C@H]1C[NH3+] ZINC001206012987 811573620 /nfs/dbraw/zinc/57/36/20/811573620.db2.gz OQTSSPLUNOWYFQ-NEPJUHHUSA-N 2 0 263.410 2.427 20 30 CEEDRP N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](F)[C@@H]([NH3+])CC3)c2c1 ZINC001206173257 815490289 /nfs/dbraw/zinc/49/02/89/815490289.db2.gz GFFOYILNELDCQO-CABCVRRESA-N 2 0 286.354 2.301 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001052717741 812452420 /nfs/dbraw/zinc/45/24/20/812452420.db2.gz YOXINVDELUUPTH-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001129430265 812493888 /nfs/dbraw/zinc/49/38/88/812493888.db2.gz QRBLCUNUQOJKPN-MRXNPFEDSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[C@H]1C ZINC001132248824 812809644 /nfs/dbraw/zinc/80/96/44/812809644.db2.gz JHSPHEADZBRJFU-CVEARBPZSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C(=O)NCCC[NH2+]C1CCC([NH+](CC)CC)CC1 ZINC001173101127 815579878 /nfs/dbraw/zinc/57/98/78/815579878.db2.gz CYUCRLLOKXZLGK-UHFFFAOYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@H]1C ZINC001071652892 813461050 /nfs/dbraw/zinc/46/10/50/813461050.db2.gz QCMMFOLLMOJUET-UKRRQHHQSA-N 2 0 298.390 2.103 20 30 CEEDRP C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC[NH+](C)CC1 ZINC000396480053 813569747 /nfs/dbraw/zinc/56/97/47/813569747.db2.gz ZXFGHMIWZSQUKO-CQSZACIVSA-N 2 0 287.407 2.409 20 30 CEEDRP C=CCCCCCC[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246026624 813664992 /nfs/dbraw/zinc/66/49/92/813664992.db2.gz WLJSLQRIOSHSQR-DLBZAZTESA-N 2 0 298.471 2.050 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC001246097754 813687150 /nfs/dbraw/zinc/68/71/50/813687150.db2.gz IHQXLQSACWNNPO-WXLSXGNJSA-N 2 0 266.429 2.335 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620123 814160886 /nfs/dbraw/zinc/16/08/86/814160886.db2.gz WTUKMLMEZDEOFO-FHERZECASA-N 2 0 295.471 2.167 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001171212685 814165101 /nfs/dbraw/zinc/16/51/01/814165101.db2.gz PNTNKUVZXVNDBV-QGTPRVQTSA-N 2 0 283.419 2.373 20 30 CEEDRP CCCCCCC[NH2+]CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001171226266 814191551 /nfs/dbraw/zinc/19/15/51/814191551.db2.gz DRXLWCNJKSSFGN-MRXNPFEDSA-N 2 0 297.487 2.395 20 30 CEEDRP CC[NH+](CC)C1CCC(NC2(C#N)CC[NH+](C)CC2)CC1 ZINC001173111157 815583774 /nfs/dbraw/zinc/58/37/74/815583774.db2.gz XYNUPJRMEFYNDQ-UHFFFAOYSA-N 2 0 292.471 2.217 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001176996791 816506809 /nfs/dbraw/zinc/50/68/09/816506809.db2.gz DHKZKFMOTAAAOY-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCN(CC[N@@H+]1CCC[C@](C)(C[NH3+])CC1)C(=O)OCC ZINC001206293204 816520644 /nfs/dbraw/zinc/52/06/44/816520644.db2.gz GSPDTZBMXAEXAQ-INIZCTEOSA-N 2 0 297.443 2.082 20 30 CEEDRP C#CCC[NH2+]CCCCCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001178853373 816804346 /nfs/dbraw/zinc/80/43/46/816804346.db2.gz ICDZMYCDQSHJHC-UHFFFAOYSA-N 2 0 295.471 2.006 20 30 CEEDRP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001179549912 816877531 /nfs/dbraw/zinc/87/75/31/816877531.db2.gz LYJMATZLGZKBJV-GJZGRUSLSA-N 2 0 295.471 2.119 20 30 CEEDRP C[N@H+](CCCn1ccnc1)Cc1cc(C#N)ccc1F ZINC000124390949 187135734 /nfs/dbraw/zinc/13/57/34/187135734.db2.gz ARWLCQDVMCHTRY-UHFFFAOYSA-N 2 0 272.327 2.416 20 30 CEEDRP [NH2+]=C(NCCC[NH+]1CCCCC1)Nc1ccccc1 ZINC000033962632 361785386 /nfs/dbraw/zinc/78/53/86/361785386.db2.gz ROVZPOUQSADNQD-UHFFFAOYSA-N 2 0 260.385 2.289 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128323829 365784285 /nfs/dbraw/zinc/78/42/85/365784285.db2.gz MYSRWPYMMKCHLM-CVEARBPZSA-N 2 0 267.461 2.204 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)CC2(C#N)CCOCC2)C1 ZINC000602522996 347066189 /nfs/dbraw/zinc/06/61/89/347066189.db2.gz YCBDNPNJEMFBJM-GJZGRUSLSA-N 2 0 279.428 2.017 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000602546019 347071731 /nfs/dbraw/zinc/07/17/31/347071731.db2.gz AVJJHJDRKNIBDY-CABCVRRESA-N 2 0 279.428 2.017 20 30 CEEDRP N#CC1CCC([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000602553836 347074700 /nfs/dbraw/zinc/07/47/00/347074700.db2.gz WCFQQQGHSSIGQB-HWOWSKLDSA-N 2 0 291.439 2.159 20 30 CEEDRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1F ZINC000591579983 345266777 /nfs/dbraw/zinc/26/67/77/345266777.db2.gz DFXWUUXPOVZLLB-IAQYHMDHSA-N 2 0 273.355 2.490 20 30 CEEDRP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000592470978 345358267 /nfs/dbraw/zinc/35/82/67/345358267.db2.gz QKTVVGLRMCHFMV-HRCADAONSA-N 2 0 285.391 2.045 20 30 CEEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000593948374 345554908 /nfs/dbraw/zinc/55/49/08/345554908.db2.gz XKPOKHUDDWZVKF-UHFFFAOYSA-N 2 0 272.396 2.117 20 30 CEEDRP C[C@@H]1C[C@H](C[N@@H+]2Cc3ccc(C#N)cc3C2)CC[NH2+]1 ZINC000594581064 345651016 /nfs/dbraw/zinc/65/10/16/345651016.db2.gz JDJPCGDHZYTUPX-TZMCWYRMSA-N 2 0 255.365 2.262 20 30 CEEDRP CC(C)([NH2+]CC1CC[NH2+]CC1)c1cccc(C#N)c1 ZINC000594735665 345681633 /nfs/dbraw/zinc/68/16/33/345681633.db2.gz MOCWKTHPSGGMDT-UHFFFAOYSA-N 2 0 257.381 2.383 20 30 CEEDRP C[NH2+]CCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595890135 345907806 /nfs/dbraw/zinc/90/78/06/345907806.db2.gz YBYDDBLIRLTVOU-UHFFFAOYSA-N 2 0 271.408 2.422 20 30 CEEDRP CC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CC[C@H]1[NH3+] ZINC000595895927 345909226 /nfs/dbraw/zinc/90/92/26/345909226.db2.gz WKVJTUZRZJDCQO-HZPDHXFCSA-N 2 0 257.381 2.160 20 30 CEEDRP N#C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000061891804 362697752 /nfs/dbraw/zinc/69/77/52/362697752.db2.gz WVYPTRHNUINBDN-XJKSGUPXSA-N 2 0 270.380 2.332 20 30 CEEDRP C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000598598795 346381463 /nfs/dbraw/zinc/38/14/63/346381463.db2.gz VWSOIBSXOMHMCJ-KFWWJZLASA-N 2 0 290.411 2.067 20 30 CEEDRP Cc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C#N ZINC000600708422 346675008 /nfs/dbraw/zinc/67/50/08/346675008.db2.gz CTPGIJQSZJSHEE-IYBDPMFKSA-N 2 0 269.392 2.298 20 30 CEEDRP Cc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1C#N ZINC000600710814 346676103 /nfs/dbraw/zinc/67/61/03/346676103.db2.gz PSOJMFVRNTXAIA-AWEZNQCLSA-N 2 0 257.381 2.428 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602683126 347143410 /nfs/dbraw/zinc/14/34/10/347143410.db2.gz PKQNZGQVCMTMOK-HNSVSWJLSA-N 2 0 291.439 2.300 20 30 CEEDRP CSC1(C[NH2+]C[C@H](C)CCC#N)CC[NH+](C)CC1 ZINC000602667590 347132016 /nfs/dbraw/zinc/13/20/16/347132016.db2.gz QCXDTVAZBIBUGI-CYBMUJFWSA-N 2 0 269.458 2.343 20 30 CEEDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000069160377 362955523 /nfs/dbraw/zinc/95/55/23/362955523.db2.gz XPXQZESMZHNKOH-INIZCTEOSA-N 2 0 257.381 2.380 20 30 CEEDRP N#CCC1(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000088259500 363886881 /nfs/dbraw/zinc/88/68/81/363886881.db2.gz NPDKWYXCCQPDJE-UHFFFAOYSA-N 2 0 261.413 2.488 20 30 CEEDRP COCCC[NH+]1CCC(NCc2cc(C#N)cs2)CC1 ZINC000177694798 368279430 /nfs/dbraw/zinc/27/94/30/368279430.db2.gz KUXZDAKAQJCBNC-UHFFFAOYSA-N 2 0 293.436 2.210 20 30 CEEDRP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(C#N)n(C)c1 ZINC000191400758 369709905 /nfs/dbraw/zinc/70/99/05/369709905.db2.gz IVISSNLKKXWQHV-HNNXBMFYSA-N 2 0 274.412 2.203 20 30 CEEDRP CSC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC[NH+](C)CC1 ZINC000353612012 370119348 /nfs/dbraw/zinc/11/93/48/370119348.db2.gz QBHNDSSDZLAHAF-KGLIPLIRSA-N 2 0 281.469 2.486 20 30 CEEDRP CCCN(Cc1ccc(C#N)c(OC)c1)[C@H]1CC[NH2+]C1 ZINC000233074665 370516659 /nfs/dbraw/zinc/51/66/59/370516659.db2.gz YGEFMXVBAOPFNF-HNNXBMFYSA-N 2 0 273.380 2.141 20 30 CEEDRP CCNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000264143660 371978152 /nfs/dbraw/zinc/97/81/52/371978152.db2.gz XGZFCIVCQMRKHE-CQSZACIVSA-N 2 0 288.439 2.485 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367613433 373168293 /nfs/dbraw/zinc/16/82/93/373168293.db2.gz FNHXZXSCENXGGJ-RCCFBDPRSA-N 2 0 291.483 2.489 20 30 CEEDRP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(C#N)cc1 ZINC000350267896 284639256 /nfs/dbraw/zinc/63/92/56/284639256.db2.gz OYYUEKBWXNQDHQ-UHFFFAOYSA-N 2 0 275.396 2.006 20 30 CEEDRP C[N@@H+]1CC[C@H]2CCN(Cc3cc(C#N)cs3)[C@H]2C1 ZINC000334398316 380354183 /nfs/dbraw/zinc/35/41/83/380354183.db2.gz LXWFDCNRVOPZSD-JSGCOSHPSA-N 2 0 261.394 2.146 20 30 CEEDRP C[C@H]([NH2+]C(C)(C)CNC1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000262682155 394623372 /nfs/dbraw/zinc/62/33/72/394623372.db2.gz WRGZDCNEZAHVBR-OLZOCXBDSA-N 2 0 274.412 2.053 20 30 CEEDRP C[C@@H]1C[NH+]=C(NCc2ccc(C[NH+]3CCCCC3)cc2)N1 ZINC000262683743 394623493 /nfs/dbraw/zinc/62/34/93/394623493.db2.gz XNYGWRYGEFMQLM-CQSZACIVSA-N 2 0 286.423 2.110 20 30 CEEDRP CNC(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270612171 394736626 /nfs/dbraw/zinc/73/66/26/394736626.db2.gz YKANMXOJYJHNHV-MFKMUULPSA-N 2 0 298.793 2.006 20 30 CEEDRP CNC(=[NH2+])NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000267440990 394679003 /nfs/dbraw/zinc/67/90/03/394679003.db2.gz PDAICSOAXHSEML-CQSZACIVSA-N 2 0 294.830 2.229 20 30 CEEDRP CNC(NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)=[NH+]C ZINC000267466887 394680313 /nfs/dbraw/zinc/68/03/13/394680313.db2.gz WRYBMJFCPONKFE-AWEZNQCLSA-N 2 0 288.439 2.445 20 30 CEEDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000345731240 395074492 /nfs/dbraw/zinc/07/44/92/395074492.db2.gz SIPMJNIYMRWACD-HNNXBMFYSA-N 2 0 281.444 2.359 20 30 CEEDRP C=CCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000569899639 395580884 /nfs/dbraw/zinc/58/08/84/395580884.db2.gz GMLNRHMDSLDYQA-IRXDYDNUSA-N 2 0 279.472 2.301 20 30 CEEDRP C=CCCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347524 401490647 /nfs/dbraw/zinc/49/06/47/401490647.db2.gz CXUSBRPFEYSVTF-ZNMIVQPWSA-N 2 0 252.402 2.171 20 30 CEEDRP C=CCC1([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)CCCC1 ZINC000661850689 415498776 /nfs/dbraw/zinc/49/87/76/415498776.db2.gz MVCCBIRJURBOCO-AWEZNQCLSA-N 2 0 254.418 2.166 20 30 CEEDRP C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665263095 415656474 /nfs/dbraw/zinc/65/64/74/415656474.db2.gz GCNAKNMYGSMGPZ-RRFJBIMHSA-N 2 0 252.402 2.089 20 30 CEEDRP C=CC[C@]1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000662679642 415928679 /nfs/dbraw/zinc/92/86/79/415928679.db2.gz AOAFHMGIFPBDFD-QGZVFWFLSA-N 2 0 293.455 2.065 20 30 CEEDRP C=CCOc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000666943544 419485533 /nfs/dbraw/zinc/48/55/33/419485533.db2.gz XMVVNCZZSMOESK-KBPBESRZSA-N 2 0 294.370 2.050 20 30 CEEDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442784137 264978040 /nfs/dbraw/zinc/97/80/40/264978040.db2.gz RKEQDAWLGDBQHR-GOEBONIOSA-N 2 0 287.407 2.409 20 30 CEEDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000397386744 267076189 /nfs/dbraw/zinc/07/61/89/267076189.db2.gz MFLXBQCLICQERJ-IOASZLSFSA-N 2 0 257.381 2.363 20 30 CEEDRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423248567 270881954 /nfs/dbraw/zinc/88/19/54/270881954.db2.gz NKTSKBVAPNMEJT-NEPJUHHUSA-N 2 0 261.344 2.348 20 30 CEEDRP CN(C)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000178583611 329200874 /nfs/dbraw/zinc/20/08/74/329200874.db2.gz CEZNZLNMMZYBEC-DGCLKSJQSA-N 2 0 280.441 2.007 20 30 CEEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000377543215 329018463 /nfs/dbraw/zinc/01/84/63/329018463.db2.gz QCHHKZWNCBBEGP-IAGOWNOFSA-N 2 0 254.377 2.384 20 30 CEEDRP C=CCOCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000378547069 329054682 /nfs/dbraw/zinc/05/46/82/329054682.db2.gz RPWMHQAHPITRIW-RDJZCZTQSA-N 2 0 289.423 2.084 20 30 CEEDRP C=C(C)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182950624 329245965 /nfs/dbraw/zinc/24/59/65/329245965.db2.gz XHNZOWFPSJPCEC-UHFFFAOYSA-N 2 0 266.429 2.387 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185808063 329329678 /nfs/dbraw/zinc/32/96/78/329329678.db2.gz ITVZAMWGWBMNNX-ZBFHGGJFSA-N 2 0 279.428 2.159 20 30 CEEDRP CN(C)C(=[NH+]C[C@@H]1CCC[N@@H+]1C1CCCCC1)N(C)C ZINC000262762429 330030004 /nfs/dbraw/zinc/03/00/04/330030004.db2.gz FWUOKICPTXPDHE-HNNXBMFYSA-N 2 0 280.460 2.263 20 30 CEEDRP C[NH+]=C(NC1CC1)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262793660 330032013 /nfs/dbraw/zinc/03/20/13/330032013.db2.gz NVMHJWXXYCTDAN-CZUORRHYSA-N 2 0 286.423 2.149 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422978674 330162209 /nfs/dbraw/zinc/16/22/09/330162209.db2.gz KBQCSGPHINXIIK-HOTGVXAUSA-N 2 0 265.445 2.147 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@H](CC)[C@@H]2CCC[NH2+]2)CC1 ZINC000422978673 330162288 /nfs/dbraw/zinc/16/22/88/330162288.db2.gz KBQCSGPHINXIIK-CVEARBPZSA-N 2 0 265.445 2.147 20 30 CEEDRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000422994126 330163249 /nfs/dbraw/zinc/16/32/49/330163249.db2.gz HARLSKQOFDBZHO-CVEARBPZSA-N 2 0 275.396 2.375 20 30 CEEDRP C=CCCCC[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423189226 330175662 /nfs/dbraw/zinc/17/56/62/330175662.db2.gz QPYQSEOGGSPXAY-HNNXBMFYSA-N 2 0 253.434 2.006 20 30 CEEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459562118 331287959 /nfs/dbraw/zinc/28/79/59/331287959.db2.gz CBKPQBPJGWWGSF-SJORKVTESA-N 2 0 287.407 2.374 20 30 CEEDRP CC1CCN(C(=[NH2+])NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000303266293 333339624 /nfs/dbraw/zinc/33/96/24/333339624.db2.gz VPEIKWFDCABUDP-HOTGVXAUSA-N 2 0 294.487 2.401 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC000969156773 613349291 /nfs/dbraw/zinc/34/92/91/613349291.db2.gz DVMFJCIQAALZGY-CQSZACIVSA-N 2 0 298.390 2.023 20 30 CEEDRP C[N@H+](CCNC(=[NH2+])N1CCCCC1)C1CCCCC1 ZINC000104168555 624320404 /nfs/dbraw/zinc/32/04/04/624320404.db2.gz YHUQWCZQFTWPDX-UHFFFAOYSA-N 2 0 266.433 2.052 20 30 CEEDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000236902213 625198231 /nfs/dbraw/zinc/19/82/31/625198231.db2.gz RBCVMOBDQFMYPE-HOCLYGCPSA-N 2 0 287.407 2.409 20 30 CEEDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000925786795 628827626 /nfs/dbraw/zinc/82/76/26/628827626.db2.gz VBRUWQMAESJZOG-NFAWXSAZSA-N 2 0 273.380 2.095 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C[C@H](C[NH3+])C1 ZINC000902491749 634689036 /nfs/dbraw/zinc/68/90/36/634689036.db2.gz ZEXYMPADKHCYLC-XNRPHZJLSA-N 2 0 255.365 2.263 20 30 CEEDRP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000925838087 628935942 /nfs/dbraw/zinc/93/59/42/628935942.db2.gz JTHUSRMBJMHITD-XJKSGUPXSA-N 2 0 257.381 2.344 20 30 CEEDRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C#N)cc1F ZINC000925881715 628981002 /nfs/dbraw/zinc/98/10/02/628981002.db2.gz DZOFLJZWBFCXRS-UHTWSYAYSA-N 2 0 261.344 2.475 20 30 CEEDRP C#CC[N@H+](Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000894434852 629460478 /nfs/dbraw/zinc/46/04/78/629460478.db2.gz JFWVIQNEDOXSAO-UHFFFAOYSA-N 2 0 256.393 2.464 20 30 CEEDRP Cc1ccc(NC(=[NH2+])NCC2CC[NH+](C)CC2)cc1C ZINC000303882883 631092824 /nfs/dbraw/zinc/09/28/24/631092824.db2.gz LYNSEEFQGZSLHY-UHFFFAOYSA-N 2 0 274.412 2.372 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccn3c[nH+]cc3c2)[C@@H]1C ZINC000986482382 631244370 /nfs/dbraw/zinc/24/43/70/631244370.db2.gz QDWAEEGVNNTDBB-CZUORRHYSA-N 2 0 298.390 2.103 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000817954724 633798410 /nfs/dbraw/zinc/79/84/10/633798410.db2.gz HXQAJOQYWGHGSD-CABCVRRESA-N 2 0 272.392 2.349 20 30 CEEDRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(OCC#N)cc1 ZINC000817976142 633818731 /nfs/dbraw/zinc/81/87/31/633818731.db2.gz HJNZBDFKESGOEJ-BBRMVZONSA-N 2 0 285.391 2.382 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000901275439 634017321 /nfs/dbraw/zinc/01/73/21/634017321.db2.gz HVTBDFIXIUUZPO-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP N#Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000819353536 634150621 /nfs/dbraw/zinc/15/06/21/634150621.db2.gz DKXKHOUUFDSGRI-SFHVURJKSA-N 2 0 299.418 2.198 20 30 CEEDRP CC[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(C#N)c1 ZINC000902969865 634914557 /nfs/dbraw/zinc/91/45/57/634914557.db2.gz HWFUEKNIAVPFHG-MRXNPFEDSA-N 2 0 275.396 2.177 20 30 CEEDRP CC(C)(C[NH3+])C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000903791317 635263405 /nfs/dbraw/zinc/26/34/05/635263405.db2.gz SKLWOHRVQZMJLE-UHFFFAOYSA-N 2 0 261.369 2.348 20 30 CEEDRP N#Cc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000903825008 635292328 /nfs/dbraw/zinc/29/23/28/635292328.db2.gz XAZAPLWWXCVIMI-SJLPKXTDSA-N 2 0 299.418 2.321 20 30 CEEDRP C=CCCC[N@@H+](CC)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903850340 635304004 /nfs/dbraw/zinc/30/40/04/635304004.db2.gz ORIVEUXHJRSZKK-HUUCEWRRSA-N 2 0 252.402 2.043 20 30 CEEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000876538164 650311167 /nfs/dbraw/zinc/31/11/67/650311167.db2.gz MUIXCUHPZKDVLD-JOYOIKCWSA-N 2 0 267.760 2.115 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[NH2+]CC ZINC000911685871 638356610 /nfs/dbraw/zinc/35/66/10/638356610.db2.gz VCCFVAVOUHGYDP-CQSZACIVSA-N 2 0 275.396 2.418 20 30 CEEDRP CCCCCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708295 638384170 /nfs/dbraw/zinc/38/41/70/638384170.db2.gz VPXKZNNGXNCDRD-HUUCEWRRSA-N 2 0 283.460 2.262 20 30 CEEDRP C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC000993669341 640665828 /nfs/dbraw/zinc/66/58/28/640665828.db2.gz AQFQJOSYGKXRCH-CABCVRRESA-N 2 0 293.455 2.016 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1 ZINC000237551271 641351375 /nfs/dbraw/zinc/35/13/75/641351375.db2.gz OQAPTUFKOPILJZ-UONOGXRCSA-N 2 0 275.396 2.407 20 30 CEEDRP C#C[C@@H]1CCC[NH+](CCC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847020649 641526025 /nfs/dbraw/zinc/52/60/25/641526025.db2.gz CWVYLBSNQXUIES-IAGOWNOFSA-N 2 0 258.409 2.067 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NCC(C)(C)[NH+]1CCCCC1 ZINC000848981646 642204203 /nfs/dbraw/zinc/20/42/03/642204203.db2.gz JRLCAERGWDGTFV-UHFFFAOYSA-N 2 0 292.427 2.209 20 30 CEEDRP C[NH+]=C(NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)NC1CC1 ZINC000848989783 642210826 /nfs/dbraw/zinc/21/08/26/642210826.db2.gz BDBZJYFRJBJABW-ZIAGYGMSSA-N 2 0 280.460 2.072 20 30 CEEDRP C#CCCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849010954 642227366 /nfs/dbraw/zinc/22/73/66/642227366.db2.gz DHIOHWGBRTYYLY-UHFFFAOYSA-N 2 0 298.434 2.178 20 30 CEEDRP C[C@@H]1C[N@H+](CCCNCc2csc(C#N)c2)CCCO1 ZINC000922063862 642861516 /nfs/dbraw/zinc/86/15/16/642861516.db2.gz KEAFMUGDPFXADE-CYBMUJFWSA-N 2 0 293.436 2.210 20 30 CEEDRP N#CC1CCC(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000923447642 643715384 /nfs/dbraw/zinc/71/53/84/643715384.db2.gz VJQDPIYZNHAJOB-UYSNPLJNSA-N 2 0 291.439 2.146 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923480731 643732097 /nfs/dbraw/zinc/73/20/97/643732097.db2.gz ZYAQBXAWKZSWGD-AWEZNQCLSA-N 2 0 257.381 2.346 20 30 CEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]CCCC[NH+](C)C ZINC000865436214 647291038 /nfs/dbraw/zinc/29/10/38/647291038.db2.gz XMSRGOHRUOGZGK-UHFFFAOYSA-N 2 0 274.412 2.056 20 30 CEEDRP C=C(C)C[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000779149130 647291880 /nfs/dbraw/zinc/29/18/80/647291880.db2.gz LABYOWXOOYLDQK-UHFFFAOYSA-N 2 0 273.424 2.446 20 30 CEEDRP c1nncn1[NH+]=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781115234 647501024 /nfs/dbraw/zinc/50/10/24/647501024.db2.gz KERHYSAQCUFJPD-CVEARBPZSA-N 2 0 295.390 2.414 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000878544225 651125592 /nfs/dbraw/zinc/12/55/92/651125592.db2.gz OQNMMFPTMYSCRJ-ZDUSSCGKSA-N 2 0 261.369 2.177 20 30 CEEDRP C=CCC[C@H]([NH2+]CCn1ccnc1C)[C@@H]1CCCO1 ZINC000883182752 652392001 /nfs/dbraw/zinc/39/20/01/652392001.db2.gz JRJPMJNMSOKBFD-GJZGRUSLSA-N 2 0 263.385 2.295 20 30 CEEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000883185583 652393196 /nfs/dbraw/zinc/39/31/96/652393196.db2.gz ABGIFSHEGYBNHC-JKSUJKDBSA-N 2 0 266.429 2.432 20 30 CEEDRP C#CC[N@H+]1CCC[C@H](Nc2cc[nH+]cc2C(F)(F)F)C1 ZINC000884610055 652942220 /nfs/dbraw/zinc/94/22/20/652942220.db2.gz CEJVJVRYAAYCBD-NSHDSACASA-N 2 0 283.297 2.032 20 30 CEEDRP C=CCCC[NH+]1CCN(CC[NH+](CC=C)CC=C)CC1 ZINC001209163405 802479659 /nfs/dbraw/zinc/47/96/59/802479659.db2.gz DRJVDBDNFWMCTI-UHFFFAOYSA-N 2 0 277.456 2.244 20 30 CEEDRP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001266466092 802614069 /nfs/dbraw/zinc/61/40/69/802614069.db2.gz JBJBQQKYTWFEPK-HOTGVXAUSA-N 2 0 295.471 2.073 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198420 802648234 /nfs/dbraw/zinc/64/82/34/802648234.db2.gz LXLAEMMACAGGOC-JKSUJKDBSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001210198417 802648245 /nfs/dbraw/zinc/64/82/45/802648245.db2.gz LXLAEMMACAGGOC-CVEARBPZSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CCC)CC[C@@H]1C ZINC001132437718 812851490 /nfs/dbraw/zinc/85/14/90/812851490.db2.gz XPCLWBKNRNJDKK-JKSUJKDBSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001135299752 813401869 /nfs/dbraw/zinc/40/18/69/813401869.db2.gz ZOZJZFCQCHZFNC-GJZGRUSLSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001283631660 803529883 /nfs/dbraw/zinc/52/98/83/803529883.db2.gz WYEJYXBJMAHMFW-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267622146 803628002 /nfs/dbraw/zinc/62/80/02/803628002.db2.gz NTMMFLDUQDNTPE-MRXNPFEDSA-N 2 0 293.455 2.019 20 30 CEEDRP C=CCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCCC1 ZINC001268052334 804336497 /nfs/dbraw/zinc/33/64/97/804336497.db2.gz CXMLSEWXRHHUDS-HNNXBMFYSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268109270 804446189 /nfs/dbraw/zinc/44/61/89/804446189.db2.gz GPKGGJVTEYDTDT-CVEARBPZSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1CC ZINC001269184002 805072524 /nfs/dbraw/zinc/07/25/24/805072524.db2.gz XGCUXIKAIIVLRC-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP N#CCC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168391069 807056496 /nfs/dbraw/zinc/05/64/96/807056496.db2.gz LKFJRZHWBZTZTQ-UHFFFAOYSA-N 2 0 261.413 2.486 20 30 CEEDRP C=C(C)C[NH2+]CCCNC(=O)C[N@@H+](C)CCCCCC ZINC001168595522 808691059 /nfs/dbraw/zinc/69/10/59/808691059.db2.gz JWXCYSLGQKUIPW-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=[NH2+])c1ccc(C#N)cc1)C2 ZINC001172108537 815297748 /nfs/dbraw/zinc/29/77/48/815297748.db2.gz XITZUYWKLREORR-PHZGNYQRSA-N 2 0 282.391 2.279 20 30 CEEDRP C=CC[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001034241293 809561633 /nfs/dbraw/zinc/56/16/33/809561633.db2.gz XKGVWXAONMIXSB-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001273165789 810076830 /nfs/dbraw/zinc/07/68/30/810076830.db2.gz DXMVHCBRGGJDRI-OAHLLOKOSA-N 2 0 293.455 2.065 20 30 CEEDRP C=C(C)CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001016340738 810424844 /nfs/dbraw/zinc/42/48/44/810424844.db2.gz ZKLLRLRFEYCRHY-HZPDHXFCSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CC[N@@H+](C)CCC)CC1 ZINC001113571579 812279921 /nfs/dbraw/zinc/27/99/21/812279921.db2.gz WJMNWFCHQXYZPP-MRXNPFEDSA-N 2 0 295.471 2.217 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535199 812499524 /nfs/dbraw/zinc/49/95/24/812499524.db2.gz LIKFXKYWJIDRLR-UHFFFAOYSA-N 2 0 283.460 2.147 20 30 CEEDRP C=CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001052378168 812984833 /nfs/dbraw/zinc/98/48/33/812984833.db2.gz SNHRVWOGOMWGLU-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccn2c[nH+]cc2c1 ZINC001134888798 813341053 /nfs/dbraw/zinc/34/10/53/813341053.db2.gz PFNVDQMLQXWJHI-STQMWFEESA-N 2 0 286.379 2.007 20 30 CEEDRP C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](CC)CC ZINC001135478045 813446227 /nfs/dbraw/zinc/44/62/27/813446227.db2.gz UIUAKECEZSWHCM-JKSUJKDBSA-N 2 0 297.487 2.413 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001135823632 813534000 /nfs/dbraw/zinc/53/40/00/813534000.db2.gz DQYSAUMYAZIFAC-GJZGRUSLSA-N 2 0 295.471 2.166 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC001246196495 813727966 /nfs/dbraw/zinc/72/79/66/813727966.db2.gz GNRVKDXSWGEBAU-CJNGLKHVSA-N 2 0 257.381 2.078 20 30 CEEDRP C=CCC[NH2+]C1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001100506843 814138473 /nfs/dbraw/zinc/13/84/73/814138473.db2.gz KABHKQZNAVTNAC-UHFFFAOYSA-N 2 0 298.390 2.008 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001100620124 814159914 /nfs/dbraw/zinc/15/99/14/814159914.db2.gz WTUKMLMEZDEOFO-QQFBHYJXSA-N 2 0 295.471 2.167 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148654784 814594337 /nfs/dbraw/zinc/59/43/37/814594337.db2.gz AEIKFVUBQLJTBF-UHFFFAOYSA-N 2 0 271.449 2.004 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCCC1 ZINC001115591899 814725744 /nfs/dbraw/zinc/72/57/44/814725744.db2.gz KETVMKOCJUMHLM-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]C1(CNC(=O)CC[N@@H+](C)CC)CCCCC1 ZINC001115805809 814757350 /nfs/dbraw/zinc/75/73/50/814757350.db2.gz HBZMLBMJOHGGMV-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP COCCC1([NH3+])CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173591204 815753734 /nfs/dbraw/zinc/75/37/34/815753734.db2.gz LLEQHRRQCKDSPI-UHFFFAOYSA-N 2 0 279.428 2.289 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC[NH+](C)C ZINC001176229833 816371549 /nfs/dbraw/zinc/37/15/49/816371549.db2.gz BSQYKIZOPZIMIV-OAHLLOKOSA-N 2 0 283.460 2.169 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001179580244 816885381 /nfs/dbraw/zinc/88/53/81/816885381.db2.gz ARRNCJZCDYPKTR-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289685888 344682571 /nfs/dbraw/zinc/68/25/71/344682571.db2.gz HZISHMBYTZWCAM-DJIMGWMZSA-N 2 0 274.408 2.034 20 30 CEEDRP N#Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593314278 345465539 /nfs/dbraw/zinc/46/55/39/345465539.db2.gz BOFKHBVYSJWTDX-OKZBNKHCSA-N 2 0 299.418 2.277 20 30 CEEDRP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1-n1ccnc1 ZINC000594440240 345631037 /nfs/dbraw/zinc/63/10/37/345631037.db2.gz ANSOIMJDNLPWTB-ZDUSSCGKSA-N 2 0 297.362 2.222 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCCN(C)CC[NH+](C)C)C1 ZINC000623087476 349934704 /nfs/dbraw/zinc/93/47/04/349934704.db2.gz TYMGPSHHPXMNBG-HOTGVXAUSA-N 2 0 267.461 2.204 20 30 CEEDRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@](C)(C#N)C1 ZINC000597232880 346156885 /nfs/dbraw/zinc/15/68/85/346156885.db2.gz XMUJISOSGQESHV-MRXNPFEDSA-N 2 0 281.363 2.311 20 30 CEEDRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598598843 346380903 /nfs/dbraw/zinc/38/09/03/346380903.db2.gz DUVXNAVUFZRECS-INIZCTEOSA-N 2 0 295.471 2.341 20 30 CEEDRP N#Cc1ccccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000598679549 346399671 /nfs/dbraw/zinc/39/96/71/346399671.db2.gz JKTHQKJZZQGVAD-ZWKOTPCHSA-N 2 0 299.418 2.277 20 30 CEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598716177 346406539 /nfs/dbraw/zinc/40/65/39/346406539.db2.gz ZCUBOCSSUSCRKN-JKSUJKDBSA-N 2 0 295.471 2.389 20 30 CEEDRP C[N@@H+](Cc1ccc(C#N)cc1F)CC1CC[NH+](C)CC1 ZINC000063120756 362750586 /nfs/dbraw/zinc/75/05/86/362750586.db2.gz RHDOSXKQFNSGBW-UHFFFAOYSA-N 2 0 275.371 2.471 20 30 CEEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129105455 365825987 /nfs/dbraw/zinc/82/59/87/365825987.db2.gz LFPKFRHZQFGNDE-IRXDYDNUSA-N 2 0 269.392 2.474 20 30 CEEDRP CN1CCC[C@H]1C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000599630320 346549017 /nfs/dbraw/zinc/54/90/17/346549017.db2.gz MJOAFWLDXMUFNV-KRWDZBQOSA-N 2 0 299.418 2.248 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000600767259 346686149 /nfs/dbraw/zinc/68/61/49/346686149.db2.gz AHMYMAUVCKVLEV-KGLIPLIRSA-N 2 0 273.380 2.363 20 30 CEEDRP C[C@@H](CCC#N)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000602633169 347114447 /nfs/dbraw/zinc/11/44/47/347114447.db2.gz LMTBBOLIJCJCSY-GJZGRUSLSA-N 2 0 267.417 2.017 20 30 CEEDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)CC2(C#N)CCOCC2)C1 ZINC000602654465 347125522 /nfs/dbraw/zinc/12/55/22/347125522.db2.gz BVONIFKKQIWWBC-CVEARBPZSA-N 2 0 293.455 2.405 20 30 CEEDRP C[C@@H](CCC#N)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000618887334 349060164 /nfs/dbraw/zinc/06/01/64/349060164.db2.gz UZSUUHIIVJLZIT-DLBZAZTESA-N 2 0 292.471 2.028 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1OC ZINC000619770964 349234550 /nfs/dbraw/zinc/23/45/50/349234550.db2.gz CZSGFOYPDBOBGC-HNNXBMFYSA-N 2 0 290.407 2.444 20 30 CEEDRP C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000629579838 351421276 /nfs/dbraw/zinc/42/12/76/351421276.db2.gz KBWAXYKREOHFEQ-ROUUACIJSA-N 2 0 288.435 2.220 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000310675845 540349748 /nfs/dbraw/zinc/34/97/48/540349748.db2.gz PJIYGEAOVJXCHN-RRFJBIMHSA-N 2 0 252.402 2.089 20 30 CEEDRP C=CCN1CCC([NH2+]C2CC[NH+](CCC)CC2)CC1 ZINC000675828514 540876870 /nfs/dbraw/zinc/87/68/70/540876870.db2.gz QYRWLAUIPXPCCP-UHFFFAOYSA-N 2 0 265.445 2.101 20 30 CEEDRP C=CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1CC1 ZINC000676636923 540940352 /nfs/dbraw/zinc/94/03/52/540940352.db2.gz BEJIJGQPQWQBLX-INIZCTEOSA-N 2 0 279.472 2.347 20 30 CEEDRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1C#N ZINC000087833272 363871956 /nfs/dbraw/zinc/87/19/56/363871956.db2.gz FCVZFKGJJCCEBF-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC000335019526 364359850 /nfs/dbraw/zinc/35/98/50/364359850.db2.gz PJPAANJSJCQYSX-BBRMVZONSA-N 2 0 255.365 2.135 20 30 CEEDRP C=C(C)COCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC000157620565 366847523 /nfs/dbraw/zinc/84/75/23/366847523.db2.gz GJQSZIAIXZOZDN-UHFFFAOYSA-N 2 0 259.353 2.325 20 30 CEEDRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000335748370 364925622 /nfs/dbraw/zinc/92/56/22/364925622.db2.gz UOHIWRFKEOSECP-CQSZACIVSA-N 2 0 284.338 2.420 20 30 CEEDRP C[N@H+](CCOc1ccccc1C#N)C[C@@H]1CCC[NH+](C)C1 ZINC000118842482 365181517 /nfs/dbraw/zinc/18/15/17/365181517.db2.gz RCFBPXSIKPKOQI-OAHLLOKOSA-N 2 0 287.407 2.211 20 30 CEEDRP CC[N@H+](C)C[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000340906206 367083845 /nfs/dbraw/zinc/08/38/45/367083845.db2.gz LSQUZOMEVFUIHD-CYBMUJFWSA-N 2 0 275.371 2.471 20 30 CEEDRP CCN(CC)C(=[NH2+])NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911753 367446213 /nfs/dbraw/zinc/44/62/13/367446213.db2.gz NVJORPGVNRXSJG-UHFFFAOYSA-N 2 0 288.439 2.439 20 30 CEEDRP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCn1ccnc1 ZINC000181105706 368422785 /nfs/dbraw/zinc/42/27/85/368422785.db2.gz WUFHTBFANMXIFQ-HNNXBMFYSA-N 2 0 292.427 2.018 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000346690252 368772910 /nfs/dbraw/zinc/77/29/10/368772910.db2.gz SZPSLVQKCITHEV-ZFWWWQNUSA-N 2 0 290.407 2.429 20 30 CEEDRP C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186691515 369021023 /nfs/dbraw/zinc/02/10/23/369021023.db2.gz NINRYZGESYTWEH-GOEBONIOSA-N 2 0 292.423 2.215 20 30 CEEDRP C=CCOc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261807931 371737758 /nfs/dbraw/zinc/73/77/58/371737758.db2.gz OOTZJKOHQHQPOE-KRWDZBQOSA-N 2 0 290.407 2.431 20 30 CEEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(C)c(C)c2)C1 ZINC000264084076 371965386 /nfs/dbraw/zinc/96/53/86/371965386.db2.gz ILSRTTVSOJZMCU-AWEZNQCLSA-N 2 0 274.412 2.372 20 30 CEEDRP C[NH+]=C(NCCC[N@@H+]1CCCC[C@H]1C)NCc1ccco1 ZINC000264079474 371965719 /nfs/dbraw/zinc/96/57/19/371965719.db2.gz UFOLBGLSVQMRPS-CQSZACIVSA-N 2 0 292.427 2.209 20 30 CEEDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264109091 371972758 /nfs/dbraw/zinc/97/27/58/371972758.db2.gz OGCDAHPKDQZXNF-UHFFFAOYSA-N 2 0 274.412 2.244 20 30 CEEDRP C[C@@H](C#N)CN(C)Cc1ccc(-n2ccnc2)cc1 ZINC000263680473 371946022 /nfs/dbraw/zinc/94/60/22/371946022.db2.gz IFXOJKOAICVPNJ-ZDUSSCGKSA-N 2 0 254.337 2.464 20 30 CEEDRP C=CC[NH+](CCOCC[N@@H+](CC=C)C1CC1)C1CC1 ZINC000271389583 373189613 /nfs/dbraw/zinc/18/96/13/373189613.db2.gz JTLVBCRCNBSNPL-UHFFFAOYSA-N 2 0 264.413 2.304 20 30 CEEDRP C=CCNC(=[NH2+])NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374006535 374464666 /nfs/dbraw/zinc/46/46/66/374464666.db2.gz UOOQMJPMTPUMGQ-KRWDZBQOSA-N 2 0 286.423 2.199 20 30 CEEDRP COc1cc(C#N)ccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292926740 377355580 /nfs/dbraw/zinc/35/55/80/377355580.db2.gz IPZHLURPASLUQO-SFHVURJKSA-N 2 0 299.418 2.485 20 30 CEEDRP C(#CC[N@@H+]1CC[C@@H](C2CC2)C1)C[NH+]1CC[C@@H](C2CC2)C1 ZINC000556499295 380908483 /nfs/dbraw/zinc/90/84/83/380908483.db2.gz DNIMQLXJKKSFSO-QZTJIDSGSA-N 2 0 272.436 2.454 20 30 CEEDRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1C#N ZINC000227327012 130840208 /nfs/dbraw/zinc/84/02/08/130840208.db2.gz UKWHPSBYKXFAJX-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP CCNC(NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)=[NH+]CC ZINC000361944864 394839000 /nfs/dbraw/zinc/83/90/00/394839000.db2.gz RCOSJWPAYYLKRC-JSGCOSHPSA-N 2 0 294.468 2.316 20 30 CEEDRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)C1 ZINC000362236451 394849887 /nfs/dbraw/zinc/84/98/87/394849887.db2.gz FQWXFVMUZRJOGV-UUAJXVIYSA-N 2 0 291.439 2.158 20 30 CEEDRP C[C@@H]1CC[N@H+](CCCSCC#N)C[C@@H]1n1ccnc1 ZINC000136083827 394969566 /nfs/dbraw/zinc/96/95/66/394969566.db2.gz TXTCJIAOXDORRU-KGLIPLIRSA-N 2 0 278.425 2.413 20 30 CEEDRP C[C@H]1C[NH+](CC2CC[NH+](CCCC#N)CC2)C[C@H](C)O1 ZINC000373981389 395069077 /nfs/dbraw/zinc/06/90/77/395069077.db2.gz OWTSAEROYGWEHV-GJZGRUSLSA-N 2 0 279.428 2.111 20 30 CEEDRP C=C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289647492 395082581 /nfs/dbraw/zinc/08/25/81/395082581.db2.gz GBCCAITUKPVGTN-ZJPYXAASSA-N 2 0 286.419 2.319 20 30 CEEDRP C#CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377319794 395136813 /nfs/dbraw/zinc/13/68/13/395136813.db2.gz ZKXGJUZDLIEAIM-QZTJIDSGSA-N 2 0 268.404 2.464 20 30 CEEDRP C=CCCC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695352 414937733 /nfs/dbraw/zinc/93/77/33/414937733.db2.gz OWHGPEYPPRPICU-UHFFFAOYSA-N 2 0 254.418 2.025 20 30 CEEDRP C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249286 415712462 /nfs/dbraw/zinc/71/24/62/415712462.db2.gz SEILOUWWZRURKU-ZDUSSCGKSA-N 2 0 278.421 2.257 20 30 CEEDRP C#Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368024417 260308762 /nfs/dbraw/zinc/30/87/62/260308762.db2.gz UIBIHNLGCGJBOV-IPMKNSEASA-N 2 0 298.430 2.351 20 30 CEEDRP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)CCC2)C[NH+](C)C ZINC000291989803 263126907 /nfs/dbraw/zinc/12/69/07/263126907.db2.gz WGMLNKLGZDSVIM-GFCCVEGCSA-N 2 0 274.412 2.100 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051342 328299143 /nfs/dbraw/zinc/29/91/43/328299143.db2.gz JKFNGSZDHKAIJI-FHERZECASA-N 2 0 265.445 2.147 20 30 CEEDRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185777366 329331531 /nfs/dbraw/zinc/33/15/31/329331531.db2.gz FPCIZMCQNYFEIM-SJORKVTESA-N 2 0 292.471 2.076 20 30 CEEDRP C=CCCC[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420391523 329763420 /nfs/dbraw/zinc/76/34/20/329763420.db2.gz OJPIEMYPPCZFCS-HUUCEWRRSA-N 2 0 252.402 2.171 20 30 CEEDRP C=CC[NH+](CC=C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])C(C)C ZINC000422827687 330156630 /nfs/dbraw/zinc/15/66/30/330156630.db2.gz FAWXOZPRSLGXSB-BZUAXINKSA-N 2 0 265.445 2.154 20 30 CEEDRP C=C[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422987829 330162999 /nfs/dbraw/zinc/16/29/99/330162999.db2.gz HLLYVCDDOFRMHJ-BJJXKVORSA-N 2 0 258.365 2.406 20 30 CEEDRP C=CCC[C@@H](CCC)[NH2+]C[C@]1(COC)CCC[NH2+]1 ZINC000423447401 330202625 /nfs/dbraw/zinc/20/26/25/330202625.db2.gz ZQSKGZTXQKYQEJ-CABCVRRESA-N 2 0 254.418 2.480 20 30 CEEDRP C=CCCCC[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000449122389 330900136 /nfs/dbraw/zinc/90/01/36/330900136.db2.gz LGWUZGKUWSTLJK-CVEARBPZSA-N 2 0 267.461 2.347 20 30 CEEDRP C=CCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348838603 527196894 /nfs/dbraw/zinc/19/68/94/527196894.db2.gz QFIDEHVGVBZWLM-UHFFFAOYSA-N 2 0 279.472 2.302 20 30 CEEDRP Cn1cc(C[NH2+]CCCCCCC[NH+](C)C)cc1C#N ZINC000190878443 535826733 /nfs/dbraw/zinc/82/67/33/535826733.db2.gz CNYNOLSEUHNXNF-UHFFFAOYSA-N 2 0 276.428 2.498 20 30 CEEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CCC1=[NH+]n1cnnc1 ZINC000734361236 574710656 /nfs/dbraw/zinc/71/06/56/574710656.db2.gz AFCZFHLIGXGCEJ-CYBMUJFWSA-N 2 0 269.352 2.024 20 30 CEEDRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261998798 624199615 /nfs/dbraw/zinc/19/96/15/624199615.db2.gz OTOSQFHMAAGHDN-ZIAGYGMSSA-N 2 0 282.476 2.222 20 30 CEEDRP CCc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000104153961 624319652 /nfs/dbraw/zinc/31/96/52/624319652.db2.gz PWGNPHDVQNFFLN-HNNXBMFYSA-N 2 0 274.412 2.460 20 30 CEEDRP [NH2+]=C(NCC1([NH+]2CCCCC2)CCCCC1)NC1CC1 ZINC000066242530 625816005 /nfs/dbraw/zinc/81/60/05/625816005.db2.gz WOLQRYNCRNNNIA-UHFFFAOYSA-N 2 0 278.444 2.242 20 30 CEEDRP CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195165048 628527343 /nfs/dbraw/zinc/52/73/43/628527343.db2.gz GEQCFWIBBAVWIQ-ZBFHGGJFSA-N 2 0 288.439 2.211 20 30 CEEDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000925786794 628827996 /nfs/dbraw/zinc/82/79/96/628827996.db2.gz VBRUWQMAESJZOG-IPYPFGDCSA-N 2 0 273.380 2.095 20 30 CEEDRP CCC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CC[C@](C)(CC)C2)C1 ZINC000261659135 628970409 /nfs/dbraw/zinc/97/04/09/628970409.db2.gz AVIXGEWJYFXBLP-WBVHZDCISA-N 2 0 294.487 2.416 20 30 CEEDRP N#Cc1ccc(NCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)nc1 ZINC000925894497 628987868 /nfs/dbraw/zinc/98/78/68/628987868.db2.gz ZFIMAKRXOHUVPI-HZPDHXFCSA-N 2 0 293.374 2.100 20 30 CEEDRP CC#CC[C@H](CO)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000895096192 629891643 /nfs/dbraw/zinc/89/16/43/629891643.db2.gz MXPGJZQQTRHLPS-NXHRZFHOSA-N 2 0 292.467 2.393 20 30 CEEDRP C[C@@H](CNC(=[NH2+])N1CCCCCC1)C[NH+]1CCCCC1 ZINC000305092552 631108677 /nfs/dbraw/zinc/10/86/77/631108677.db2.gz XPEKSWHIULDRGH-HNNXBMFYSA-N 2 0 280.460 2.299 20 30 CEEDRP C#C[C@@H](CC)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000809686208 632127015 /nfs/dbraw/zinc/12/70/15/632127015.db2.gz ALRGAOZAQUNAKY-HNNXBMFYSA-N 2 0 260.381 2.128 20 30 CEEDRP C[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817917055 633776120 /nfs/dbraw/zinc/77/61/20/633776120.db2.gz DQFJTSXUUFCSHJ-CHWSQXEVSA-N 2 0 261.369 2.367 20 30 CEEDRP N#CC1CCC(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000903447337 635132785 /nfs/dbraw/zinc/13/27/85/635132785.db2.gz OXQKTUUQOYIALF-UHFFFAOYSA-N 2 0 261.413 2.392 20 30 CEEDRP Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000903482600 635151000 /nfs/dbraw/zinc/15/10/00/635151000.db2.gz LYJDBUKRUKNEEH-LSDHHAIUSA-N 2 0 257.381 2.391 20 30 CEEDRP C=CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767328 635259388 /nfs/dbraw/zinc/25/93/88/635259388.db2.gz VPZWROGKVDTRRW-BZUAXINKSA-N 2 0 264.413 2.043 20 30 CEEDRP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000876509115 650295591 /nfs/dbraw/zinc/29/55/91/650295591.db2.gz HZIXXHPTMOAOEC-ZDUSSCGKSA-N 2 0 281.787 2.205 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834771996 637947047 /nfs/dbraw/zinc/94/70/47/637947047.db2.gz JAWVYSWOAUDTBB-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C(C)C)C1)NC(C)(C)C ZINC000912499146 638708464 /nfs/dbraw/zinc/70/84/64/638708464.db2.gz MCBBWMXVYMOULI-ZDUSSCGKSA-N 2 0 268.449 2.070 20 30 CEEDRP CC(C)CCC[C@H](C)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907774 639683380 /nfs/dbraw/zinc/68/33/80/639683380.db2.gz OZZVZBDNCOPBGJ-AWEZNQCLSA-N 2 0 268.449 2.201 20 30 CEEDRP COc1cccc(/C=N\C[C@H]2C[C@@H]([NH+](C)C)C2)c1O ZINC000846756199 641413615 /nfs/dbraw/zinc/41/36/15/641413615.db2.gz HIANDLGWTWXGIF-XZWZMMNPSA-N 2 0 262.353 2.160 20 30 CEEDRP C#CCCCCCC[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000877404558 650708891 /nfs/dbraw/zinc/70/88/91/650708891.db2.gz DYISCEIAEZOVPY-QGZVFWFLSA-N 2 0 279.472 2.186 20 30 CEEDRP C=C(C)CNC(=[NH2+])NCC1([NH+](C)C)CCCCCC1 ZINC000848982154 642204290 /nfs/dbraw/zinc/20/42/90/642204290.db2.gz FZCYFMTYWGXNLT-UHFFFAOYSA-N 2 0 266.433 2.331 20 30 CEEDRP C=CCC(C)(C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000849031121 642243622 /nfs/dbraw/zinc/24/36/22/642243622.db2.gz UXFBUOKFQWUBIE-ZDUSSCGKSA-N 2 0 266.433 2.187 20 30 CEEDRP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048780 642257413 /nfs/dbraw/zinc/25/74/13/642257413.db2.gz KWTUYVXRCVHYBG-IYBDPMFKSA-N 2 0 288.439 2.034 20 30 CEEDRP C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003423633 642935034 /nfs/dbraw/zinc/93/50/34/642935034.db2.gz KTAMLFPHGNORMO-UHFFFAOYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000923358799 643677292 /nfs/dbraw/zinc/67/72/92/643677292.db2.gz KOHQZIISLSAEJX-PMPSAXMXSA-N 2 0 266.429 2.025 20 30 CEEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000923364328 643679427 /nfs/dbraw/zinc/67/94/27/643679427.db2.gz MEXHCWDJRRGAOQ-KZNAEPCWSA-N 2 0 299.418 2.056 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](C#N)C3)cc2)CC1 ZINC000769943394 646338204 /nfs/dbraw/zinc/33/82/04/646338204.db2.gz KORLJHKCOXSLRV-IRXDYDNUSA-N 2 0 298.434 2.220 20 30 CEEDRP CC(=NNc1cc[nH+]c(C)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000863159471 646658400 /nfs/dbraw/zinc/65/84/00/646658400.db2.gz SSSJEXJVUFVXTI-UHFFFAOYSA-N 2 0 294.402 2.336 20 30 CEEDRP C[C@@H]1CNC(NN=C2CCCC[C@H]2[NH+]2CCCCCC2)=[NH+]1 ZINC000779791840 647353332 /nfs/dbraw/zinc/35/33/32/647353332.db2.gz LLNHDIAMNXLUDI-UKRRQHHQSA-N 2 0 291.443 2.098 20 30 CEEDRP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000865847921 647492327 /nfs/dbraw/zinc/49/23/27/647492327.db2.gz PSSRNYGUVAQELA-KSZLIROESA-N 2 0 281.403 2.242 20 30 CEEDRP C[NH+]1CCC(C[NH+]2CCN(c3ccccc3C#N)CC2)CC1 ZINC000788475637 648192260 /nfs/dbraw/zinc/19/22/60/648192260.db2.gz HRTYGYALVVANQH-UHFFFAOYSA-N 2 0 298.434 2.022 20 30 CEEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000873251019 649609176 /nfs/dbraw/zinc/60/91/76/649609176.db2.gz KFUURQPBJPTBHY-BJJXKVORSA-N 2 0 255.365 2.263 20 30 CEEDRP C#C[C@@H](C)[NH+](C)Cc1cc(C#N)cc(C[N@@H+](C)[C@H](C)C#C)c1 ZINC000878517117 651119121 /nfs/dbraw/zinc/11/91/21/651119121.db2.gz NKWZHCZDHGKNDD-HZPDHXFCSA-N 2 0 293.414 2.465 20 30 CEEDRP C=C(C)CC[N@@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125698 651247595 /nfs/dbraw/zinc/24/75/95/651247595.db2.gz GOLHIBRWJLXQGH-UHFFFAOYSA-N 2 0 254.418 2.243 20 30 CEEDRP C=CC[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000883434746 652468863 /nfs/dbraw/zinc/46/88/63/652468863.db2.gz ZUBCMHPTRKEJSO-BYNSBNAKSA-N 2 0 252.402 2.169 20 30 CEEDRP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)CCC)C1 ZINC001270829155 805579545 /nfs/dbraw/zinc/57/95/45/805579545.db2.gz JIZKKMMYIMGBTB-QGZVFWFLSA-N 2 0 295.471 2.123 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001266482468 802625078 /nfs/dbraw/zinc/62/50/78/802625078.db2.gz CBHRONILEUUQRW-OAHLLOKOSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066276 807002492 /nfs/dbraw/zinc/00/24/92/807002492.db2.gz KUSAGJCBANNKCU-MRXNPFEDSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001046449486 811754599 /nfs/dbraw/zinc/75/45/99/811754599.db2.gz FXAQWHJODIRIAR-KRWDZBQOSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CC[NH2+][C@@H](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001267154767 803170055 /nfs/dbraw/zinc/17/00/55/803170055.db2.gz JYKZUZWJHVDUTE-AWEZNQCLSA-N 2 0 289.423 2.032 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001167655553 803251245 /nfs/dbraw/zinc/25/12/45/803251245.db2.gz UCRUDSDEBPDDJU-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267418619 803460459 /nfs/dbraw/zinc/46/04/59/803460459.db2.gz MAAFLOVHLDNHBM-PMPSAXMXSA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001267604500 803598134 /nfs/dbraw/zinc/59/81/34/803598134.db2.gz SRAVFKCNSHKMPE-UHFFFAOYSA-N 2 0 295.471 2.075 20 30 CEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267898164 803809437 /nfs/dbraw/zinc/80/94/37/803809437.db2.gz RTWUWULAPXIPNV-HOTGVXAUSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001027918144 804342287 /nfs/dbraw/zinc/34/22/87/804342287.db2.gz KQUPUYDNVNKYPO-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001268404002 804656160 /nfs/dbraw/zinc/65/61/60/804656160.db2.gz POIBLPPHFLJGPH-CVEARBPZSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001268655738 804911709 /nfs/dbraw/zinc/91/17/09/804911709.db2.gz BUONCCPIQBTEBU-OAHLLOKOSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)CC)CC1(C)C ZINC001284336779 804995265 /nfs/dbraw/zinc/99/52/65/804995265.db2.gz VGFDMSIZXNKPKJ-HNNXBMFYSA-N 2 0 295.471 2.121 20 30 CEEDRP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001270215293 805373631 /nfs/dbraw/zinc/37/36/31/805373631.db2.gz AHQGUFJQECNHRG-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001088896776 807268020 /nfs/dbraw/zinc/26/80/20/807268020.db2.gz BUENQANXEJOLHI-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(-n2ccnc2C(N)=[NH2+])cc1 ZINC001168420236 807273973 /nfs/dbraw/zinc/27/39/73/807273973.db2.gz QZLQTSSAEMFBOQ-OAHLLOKOSA-N 2 0 295.390 2.479 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999354516 808794024 /nfs/dbraw/zinc/79/40/24/808794024.db2.gz QHQKRQWOBXXLHX-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999706412 808799495 /nfs/dbraw/zinc/79/94/95/808799495.db2.gz JYCAWEDFPBHPSL-HNNXBMFYSA-N 2 0 298.390 2.105 20 30 CEEDRP C=CCC[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001034397821 809600828 /nfs/dbraw/zinc/60/08/28/809600828.db2.gz LUEIIKNMBBEYBP-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001019466267 810713323 /nfs/dbraw/zinc/71/33/23/810713323.db2.gz UPRZZWUUAVKHPS-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001019468043 810713783 /nfs/dbraw/zinc/71/37/83/810713783.db2.gz DXOIRAKYKQFMMN-JKSUJKDBSA-N 2 0 293.455 2.016 20 30 CEEDRP COCCC[NH+]1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172484253 815435019 /nfs/dbraw/zinc/43/50/19/815435019.db2.gz ZIBXSIQWYXDTCQ-AWEZNQCLSA-N 2 0 267.417 2.159 20 30 CEEDRP C#CCCC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)N=N1 ZINC001169124653 811392233 /nfs/dbraw/zinc/39/22/33/811392233.db2.gz RYKXEUOIWMXIIP-ZSOGYDGISA-N 2 0 260.385 2.167 20 30 CEEDRP C=CC(N[C@@H]1CC(C)(C)C[C@@](C)(C[NH3+])C1)=[NH+]COC ZINC001169141113 811409490 /nfs/dbraw/zinc/40/94/90/811409490.db2.gz IXOUFVJNHOTPQC-DOMZBBRYSA-N 2 0 267.417 2.308 20 30 CEEDRP CC[NH+]1CCC([NH2+]CCCOc2ccccc2C#N)CC1 ZINC001169233134 811447693 /nfs/dbraw/zinc/44/76/93/811447693.db2.gz MKWULRHANUIMLL-UHFFFAOYSA-N 2 0 287.407 2.401 20 30 CEEDRP C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)[C@@H](C)C1 ZINC001044679953 811523325 /nfs/dbraw/zinc/52/33/25/811523325.db2.gz DIUWALUMEZSVAQ-DZGCQCFKSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001044873649 811548761 /nfs/dbraw/zinc/54/87/61/811548761.db2.gz ZFWXOLNWZSCTAE-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110019111 811984954 /nfs/dbraw/zinc/98/49/54/811984954.db2.gz FRYOZIYJEYKDGH-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)CC1 ZINC001113033108 812149301 /nfs/dbraw/zinc/14/93/01/812149301.db2.gz ZQAVHNDUZDUPFK-OAHLLOKOSA-N 2 0 295.471 2.216 20 30 CEEDRP C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001113563323 812278601 /nfs/dbraw/zinc/27/86/01/812278601.db2.gz JOVVQIVNHVEQEJ-MRXNPFEDSA-N 2 0 295.471 2.217 20 30 CEEDRP C=C(C)C[NH+]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)CC[C@H]1C ZINC001132153682 812791653 /nfs/dbraw/zinc/79/16/53/812791653.db2.gz SVUYAUXKAWQHQL-HUUCEWRRSA-N 2 0 295.471 2.262 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001170742958 813243841 /nfs/dbraw/zinc/24/38/41/813243841.db2.gz OZNOWZFXAYCGKD-HZPDHXFCSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001134757524 813324081 /nfs/dbraw/zinc/32/40/81/813324081.db2.gz OZJHJPNGQJZPGH-HZPDHXFCSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@@H]2CC[C@@H](C)C[NH2+]2)CC1 ZINC001246106883 813699342 /nfs/dbraw/zinc/69/93/42/813699342.db2.gz QLDKCPYMIZCTDG-CIDNJEQPSA-N 2 0 266.429 2.478 20 30 CEEDRP C=CCCCCC[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997672 813715709 /nfs/dbraw/zinc/71/57/09/813715709.db2.gz XROFUUBMXRHJSW-UHFFFAOYSA-N 2 0 295.471 2.313 20 30 CEEDRP CCCCCCC[C@@H](CC)[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246216774 813732620 /nfs/dbraw/zinc/73/26/20/813732620.db2.gz IMUQCKAMXUEJPN-HUUCEWRRSA-N 2 0 256.434 2.440 20 30 CEEDRP CCCCCCC[C@@H](C)[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246461440 813845377 /nfs/dbraw/zinc/84/53/77/813845377.db2.gz IQKLCLAHRWOKLD-HUUCEWRRSA-N 2 0 267.461 2.419 20 30 CEEDRP C=CC[NH2+]C1CC(CNC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001100765235 814182647 /nfs/dbraw/zinc/18/26/47/814182647.db2.gz ZLQWMXFVNBSCEI-UHFFFAOYSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C1CC(CNC(=O)C[NH+](CC)CC)C1 ZINC001100769577 814183470 /nfs/dbraw/zinc/18/34/70/814183470.db2.gz QJXSDEHWTWZCFU-QQFBHYJXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001171235078 814205736 /nfs/dbraw/zinc/20/57/36/814205736.db2.gz DJICKHLWXRVWFR-HNNXBMFYSA-N 2 0 295.471 2.311 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146595221 814299206 /nfs/dbraw/zinc/29/92/06/814299206.db2.gz XQZULDLBSBNQSG-GJZGRUSLSA-N 2 0 283.460 2.166 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603685 814300222 /nfs/dbraw/zinc/30/02/22/814300222.db2.gz YLMXQXNGWRVBIP-CABCVRRESA-N 2 0 283.460 2.166 20 30 CEEDRP C=CCCCCC[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148360379 814556193 /nfs/dbraw/zinc/55/61/93/814556193.db2.gz RVYNGHPZWVQYCM-UHFFFAOYSA-N 2 0 283.460 2.171 20 30 CEEDRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c(C#N)c1 ZINC001137703745 815668252 /nfs/dbraw/zinc/66/82/52/815668252.db2.gz VHZSGAHRJNTQQF-UHFFFAOYSA-N 2 0 287.407 2.340 20 30 CEEDRP CN1CCC[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@H]21 ZINC001173336639 815680177 /nfs/dbraw/zinc/68/01/77/815680177.db2.gz HGCNYAZMOSCIMB-GYTBAZASSA-N 2 0 261.413 2.485 20 30 CEEDRP CC[NH+](CC)CCN(CC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173588920 815754189 /nfs/dbraw/zinc/75/41/89/815754189.db2.gz NQQFWYXRALYMDW-UHFFFAOYSA-N 2 0 280.460 2.061 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001178833025 816799755 /nfs/dbraw/zinc/79/97/55/816799755.db2.gz NEEIEPOXPCPIRB-INIZCTEOSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001179395043 816856837 /nfs/dbraw/zinc/85/68/37/816856837.db2.gz DMLVHXNGBUVTCP-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001179554253 816879999 /nfs/dbraw/zinc/87/99/99/816879999.db2.gz XJHWLDNFGLBYOP-VGWMRTNUSA-N 2 0 295.471 2.260 20 30 CEEDRP C[N@H+](CCCO)C1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000093413066 344223304 /nfs/dbraw/zinc/22/33/04/344223304.db2.gz ZSFJTWVCKXVTFJ-UHFFFAOYSA-N 2 0 281.444 2.095 20 30 CEEDRP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602512991 347062426 /nfs/dbraw/zinc/06/24/26/347062426.db2.gz YUEDWBGMWVJYFN-CABCVRRESA-N 2 0 291.439 2.159 20 30 CEEDRP N#CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000399137770 344857119 /nfs/dbraw/zinc/85/71/19/344857119.db2.gz SDOULUFPOVLHCP-IAGOWNOFSA-N 2 0 269.392 2.469 20 30 CEEDRP C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442861193 344901577 /nfs/dbraw/zinc/90/15/77/344901577.db2.gz DBBVLZNZJTXRRO-CABCVRRESA-N 2 0 267.461 2.203 20 30 CEEDRP FCC1CC[NH+](CC#CC[NH+]2CCC(CF)CC2)CC1 ZINC000451392649 344903576 /nfs/dbraw/zinc/90/35/76/344903576.db2.gz JRZJQISVGDHVNY-UHFFFAOYSA-N 2 0 284.394 2.353 20 30 CEEDRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591573474 345265249 /nfs/dbraw/zinc/26/52/49/345265249.db2.gz ZCZIEJOGMBQEHR-ZDUSSCGKSA-N 2 0 281.787 2.055 20 30 CEEDRP N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CC2 ZINC000591580019 345266654 /nfs/dbraw/zinc/26/66/54/345266654.db2.gz HDAKLZYJQPVNFS-CVEARBPZSA-N 2 0 267.376 2.277 20 30 CEEDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000595619378 345830094 /nfs/dbraw/zinc/83/00/94/345830094.db2.gz ACFDDRWHIXYSNK-KRWDZBQOSA-N 2 0 292.471 2.028 20 30 CEEDRP N#Cc1ccc(CC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000595894705 345908448 /nfs/dbraw/zinc/90/84/48/345908448.db2.gz VYMJMYMWNKEEFK-UHFFFAOYSA-N 2 0 269.392 2.317 20 30 CEEDRP C[NH+](C)CCC[C@@H]1CN(Cc2ccc(C#N)cc2)CCO1 ZINC000595905048 345911005 /nfs/dbraw/zinc/91/10/05/345911005.db2.gz PCSQCQKONWFBTM-QGZVFWFLSA-N 2 0 287.407 2.101 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000596649727 346071672 /nfs/dbraw/zinc/07/16/72/346071672.db2.gz GGRSPHYBYUCHPE-JKSUJKDBSA-N 2 0 257.381 2.350 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000596653312 346072824 /nfs/dbraw/zinc/07/28/24/346072824.db2.gz ZZRFKDOZFOXNCD-CVEARBPZSA-N 2 0 257.381 2.208 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(C#N)cc3)CC[C@@H]21 ZINC000129107159 365825561 /nfs/dbraw/zinc/82/55/61/365825561.db2.gz MGINDZPGMXYCSG-AEFFLSMTSA-N 2 0 299.418 2.353 20 30 CEEDRP C[NH+]1CCC2(CC[N@H+](CCOc3cccc(C#N)c3)C2)CC1 ZINC000602877833 347235183 /nfs/dbraw/zinc/23/51/83/347235183.db2.gz SFCDKJPNNHFASJ-UHFFFAOYSA-N 2 0 299.418 2.355 20 30 CEEDRP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(C#N)c2)C[C@H]1C ZINC000610994667 347730215 /nfs/dbraw/zinc/73/02/15/347730215.db2.gz MDUWZSGJFLTJET-CJNGLKHVSA-N 2 0 272.396 2.258 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CCCCO2)CC1 ZINC000623889168 350135319 /nfs/dbraw/zinc/13/53/19/350135319.db2.gz GDPCMLXDBDTBBT-ZFWWWQNUSA-N 2 0 252.402 2.184 20 30 CEEDRP C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000629579839 351420902 /nfs/dbraw/zinc/42/09/02/351420902.db2.gz KBWAXYKREOHFEQ-ZWKOTPCHSA-N 2 0 288.435 2.220 20 30 CEEDRP C=CCOCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000310675844 540349611 /nfs/dbraw/zinc/34/96/11/540349611.db2.gz PJIYGEAOVJXCHN-RBSFLKMASA-N 2 0 252.402 2.089 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000666855374 540510056 /nfs/dbraw/zinc/51/00/56/540510056.db2.gz OJQUECXCKQQOSM-HNNXBMFYSA-N 2 0 290.407 2.492 20 30 CEEDRP C#CCOc1ccc([C@H](C)NCCC[NH+](C)C)cc1 ZINC000151924788 366675209 /nfs/dbraw/zinc/67/52/09/366675209.db2.gz BYBWCFWVXMPDDL-AWEZNQCLSA-N 2 0 260.381 2.301 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024269 364367275 /nfs/dbraw/zinc/36/72/75/364367275.db2.gz CCAVXYZOTIKYHM-ABAIWWIYSA-N 2 0 261.344 2.175 20 30 CEEDRP CN(C)C(=[NH+]Cc1cccc(C[NH+]2CCCC2)c1)N(C)C ZINC000170911786 367447341 /nfs/dbraw/zinc/44/73/41/367447341.db2.gz AIXMBOLYCVJUOJ-UHFFFAOYSA-N 2 0 288.439 2.262 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000335537400 212233340 /nfs/dbraw/zinc/23/33/40/212233340.db2.gz AQPBVGMHABPRQU-UHFFFAOYSA-N 2 0 255.365 2.134 20 30 CEEDRP C[C@H]1C[N@H+](CCC(C)(C)C#N)CCN1C1CC[NH+](C)CC1 ZINC000347003604 368796920 /nfs/dbraw/zinc/79/69/20/368796920.db2.gz GWRNQQDQGDBKGQ-HNNXBMFYSA-N 2 0 292.471 2.027 20 30 CEEDRP C=CCOCCC[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000348053834 368877303 /nfs/dbraw/zinc/87/73/03/368877303.db2.gz WSXLPFBVJGCZBL-HNNXBMFYSA-N 2 0 254.418 2.243 20 30 CEEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343592281 216837858 /nfs/dbraw/zinc/83/78/58/216837858.db2.gz HYRSDSXKDVUZJK-CKEIUWERSA-N 2 0 271.408 2.419 20 30 CEEDRP CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191343676 369702941 /nfs/dbraw/zinc/70/29/41/369702941.db2.gz LNVXQJVYVFPWLC-OAHLLOKOSA-N 2 0 297.406 2.493 20 30 CEEDRP COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1C#N ZINC000235010826 370553623 /nfs/dbraw/zinc/55/36/23/370553623.db2.gz INHKMSVTZSJYFS-JKSUJKDBSA-N 2 0 285.391 2.283 20 30 CEEDRP C=CCOc1ccccc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261713618 371708534 /nfs/dbraw/zinc/70/85/34/371708534.db2.gz MUASAVMIHCAMRI-MRXNPFEDSA-N 2 0 260.381 2.422 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCC(C)(C)[NH+](C)C)c1 ZINC000264066045 371961273 /nfs/dbraw/zinc/96/12/73/371961273.db2.gz DYWDVEKUTSKSDN-UHFFFAOYSA-N 2 0 262.401 2.316 20 30 CEEDRP C[NH+](C)CC(C)(C)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264090228 371966831 /nfs/dbraw/zinc/96/68/31/371966831.db2.gz KQPZERYYTXONMU-UHFFFAOYSA-N 2 0 288.439 2.490 20 30 CEEDRP C[NH+](C)CCOC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000353528105 220139434 /nfs/dbraw/zinc/13/94/34/220139434.db2.gz NASDVSDCEHCWLG-UHFFFAOYSA-N 2 0 293.436 2.162 20 30 CEEDRP N#Cc1ccc(OCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422994737 376909985 /nfs/dbraw/zinc/90/99/85/376909985.db2.gz VZUZWFIWWPJGAI-UHFFFAOYSA-N 2 0 273.380 2.044 20 30 CEEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CC2 ZINC000423242706 377161615 /nfs/dbraw/zinc/16/16/15/377161615.db2.gz FQQWZPDYZZYKIV-LRDDRELGSA-N 2 0 255.365 2.135 20 30 CEEDRP C=CCC[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435681091 377808690 /nfs/dbraw/zinc/80/86/90/377808690.db2.gz HGRMWQBJPLQICH-HNNXBMFYSA-N 2 0 288.439 2.423 20 30 CEEDRP C=CCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441065117 377933060 /nfs/dbraw/zinc/93/30/60/377933060.db2.gz OILZDTJVYCEAHU-UHFFFAOYSA-N 2 0 279.472 2.443 20 30 CEEDRP C=CCC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000305065213 379617356 /nfs/dbraw/zinc/61/73/56/379617356.db2.gz HOZQVSATIRBTMW-CABCVRRESA-N 2 0 254.418 2.120 20 30 CEEDRP N#CCC[C@H](C#N)CN1CCC(c2ncc[nH]2)CC1 ZINC000267487269 394680919 /nfs/dbraw/zinc/68/09/19/394680919.db2.gz MEDLXJDUYVXWNJ-GFCCVEGCSA-N 2 0 257.341 2.033 20 30 CEEDRP N#Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000268964452 394704790 /nfs/dbraw/zinc/70/47/90/394704790.db2.gz KLDDRUZQIVDUCY-ROUUACIJSA-N 2 0 299.418 2.026 20 30 CEEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339011647 394936622 /nfs/dbraw/zinc/93/66/22/394936622.db2.gz VUWZWBXIDIWZSI-OWCLPIDISA-N 2 0 261.413 2.342 20 30 CEEDRP C[C@H]([NH2+]CCOCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339086196 394941874 /nfs/dbraw/zinc/94/18/74/394941874.db2.gz ZPOKLZJOTUIPIC-GJZGRUSLSA-N 2 0 279.428 2.159 20 30 CEEDRP C=CCOCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000339083187 394942172 /nfs/dbraw/zinc/94/21/72/394942172.db2.gz DHMXXLBWRGTQJR-CABCVRRESA-N 2 0 266.429 2.432 20 30 CEEDRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCC3(C#N)CCOCC3)C2)C1 ZINC000366498952 394946594 /nfs/dbraw/zinc/94/65/94/394946594.db2.gz VHKRATWYXUMZAV-QGZVFWFLSA-N 2 0 291.439 2.115 20 30 CEEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCSCC#N)C2)C1 ZINC000339441657 394961331 /nfs/dbraw/zinc/96/13/31/394961331.db2.gz YSHMUKHSNIGDSJ-CQSZACIVSA-N 2 0 267.442 2.051 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000289182888 395071499 /nfs/dbraw/zinc/07/14/99/395071499.db2.gz GFWKQZYIMWJHMW-KRWDZBQOSA-N 2 0 256.393 2.489 20 30 CEEDRP CC(C)C[N@@H+]1CCC[C@H](CNC(=[NH2+])Nc2ccccn2)C1 ZINC000178726520 395173838 /nfs/dbraw/zinc/17/38/38/395173838.db2.gz OUXOPHVUVJCIBB-CQSZACIVSA-N 2 0 289.427 2.176 20 30 CEEDRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442709864 395392192 /nfs/dbraw/zinc/39/21/92/395392192.db2.gz OUHHVGTURNWVNB-GDBMZVCRSA-N 2 0 287.407 2.409 20 30 CEEDRP CC[NH2+]CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000565592556 395476937 /nfs/dbraw/zinc/47/69/37/395476937.db2.gz ISICWOGCKVPXLN-UHFFFAOYSA-N 2 0 286.423 2.116 20 30 CEEDRP CN(CCCn1ccnc1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459383142 395666214 /nfs/dbraw/zinc/66/62/14/395666214.db2.gz FLDVBEJRYDBSQF-UHFFFAOYSA-N 2 0 299.334 2.185 20 30 CEEDRP N#CCCN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678061 260002290 /nfs/dbraw/zinc/00/22/90/260002290.db2.gz SQPKVSIROKBUMQ-SJORKVTESA-N 2 0 269.392 2.354 20 30 CEEDRP C#C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000298085826 260143266 /nfs/dbraw/zinc/14/32/66/260143266.db2.gz MFPANLOFIVAAJB-MRXNPFEDSA-N 2 0 257.381 2.298 20 30 CEEDRP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000068366354 260255763 /nfs/dbraw/zinc/25/57/63/260255763.db2.gz GQXDFECFIJHRPP-OAHLLOKOSA-N 2 0 288.439 2.466 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414961965 263166811 /nfs/dbraw/zinc/16/68/11/263166811.db2.gz ZKAVCNROCJQVEU-UKRRQHHQSA-N 2 0 260.381 2.482 20 30 CEEDRP C=CCOc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1 ZINC000415072244 263262980 /nfs/dbraw/zinc/26/29/80/263262980.db2.gz VXQGOYAEBWVMHP-UHFFFAOYSA-N 2 0 260.381 2.483 20 30 CEEDRP CC#CCC[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000354175804 266042267 /nfs/dbraw/zinc/04/22/67/266042267.db2.gz BXZBJGURPDPVHP-UHFFFAOYSA-N 2 0 285.435 2.332 20 30 CEEDRP C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)C1C[NH2+]C1 ZINC000566672605 299013509 /nfs/dbraw/zinc/01/35/09/299013509.db2.gz PAYHOLGSCWXVAO-NVPAJSRCSA-N 2 0 299.418 2.446 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414946000 328279080 /nfs/dbraw/zinc/27/90/80/328279080.db2.gz JCQVUCRFZFUPEJ-UKRRQHHQSA-N 2 0 260.381 2.482 20 30 CEEDRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCCC#N)[C@H](C)C1 ZINC000178643731 329201604 /nfs/dbraw/zinc/20/16/04/329201604.db2.gz HEXBIJOVQJUJQP-HZPDHXFCSA-N 2 0 281.444 2.407 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])cc1OC ZINC000572363944 330004749 /nfs/dbraw/zinc/00/47/49/330004749.db2.gz MKUMBFKUKALKRG-STQMWFEESA-N 2 0 278.396 2.475 20 30 CEEDRP CN1CC[NH+]=C1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000262634264 330023713 /nfs/dbraw/zinc/02/37/13/330023713.db2.gz GICTZWBWOSECDE-UHFFFAOYSA-N 2 0 278.444 2.066 20 30 CEEDRP CC[NH+]=C(NCC(C)(C)[NH+](C)C)N1CCc2ccccc21 ZINC000263276471 330051417 /nfs/dbraw/zinc/05/14/17/330051417.db2.gz YNWBGVXZEZTWGD-UHFFFAOYSA-N 2 0 288.439 2.355 20 30 CEEDRP C=CCSCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422944626 330161980 /nfs/dbraw/zinc/16/19/80/330161980.db2.gz LQNMWOMTSWQWIE-ZFWWWQNUSA-N 2 0 264.438 2.454 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422974122 330164723 /nfs/dbraw/zinc/16/47/23/330164723.db2.gz DFFOZHVAFNATFZ-AWEZNQCLSA-N 2 0 253.434 2.134 20 30 CEEDRP C#CC[N@H+](C)CCCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000491164659 332159134 /nfs/dbraw/zinc/15/91/34/332159134.db2.gz DHIFYVHZHDINLV-OALUTQOASA-N 2 0 299.462 2.367 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000173160603 332965118 /nfs/dbraw/zinc/96/51/18/332965118.db2.gz DHPXTEYRFWGGJF-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCOc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000347099952 526868108 /nfs/dbraw/zinc/86/81/08/526868108.db2.gz JOUAGEZASUTMQI-OAHLLOKOSA-N 2 0 260.381 2.422 20 30 CEEDRP C#CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000113323911 527105224 /nfs/dbraw/zinc/10/52/24/527105224.db2.gz AKFFJVLHJGVEQH-MRXNPFEDSA-N 2 0 272.392 2.130 20 30 CEEDRP C=CCC[C@@H](O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000351542005 527452688 /nfs/dbraw/zinc/45/26/88/527452688.db2.gz FHDVRXBROVGHEG-MRXNPFEDSA-N 2 0 268.445 2.367 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000729682252 574490696 /nfs/dbraw/zinc/49/06/96/574490696.db2.gz YIYPGGPQAAGKAM-UKRRQHHQSA-N 2 0 285.391 2.304 20 30 CEEDRP C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1C ZINC000947502994 613755588 /nfs/dbraw/zinc/75/55/88/613755588.db2.gz XTXFUGZLGIDGTR-DZGCQCFKSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000981228910 613873495 /nfs/dbraw/zinc/87/34/95/613873495.db2.gz PRJLZRPYJRVEST-GJZGRUSLSA-N 2 0 298.390 2.151 20 30 CEEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCC(CC)(CC)C1 ZINC000262012677 624221650 /nfs/dbraw/zinc/22/16/50/624221650.db2.gz XACVZLORWGABBF-OAHLLOKOSA-N 2 0 294.487 2.416 20 30 CEEDRP C=CC[NH+]1CCC(N[C@H](c2ccccc2)[C@H](C)[NH3+])CC1 ZINC000925549028 628194288 /nfs/dbraw/zinc/19/42/88/628194288.db2.gz JYGJCJYIZJHPCJ-YOEHRIQHSA-N 2 0 273.424 2.315 20 30 CEEDRP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000925559025 628224820 /nfs/dbraw/zinc/22/48/20/628224820.db2.gz VIFPGBQDYDYQOK-VNQPRFMTSA-N 2 0 293.455 2.282 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000162455171 628301400 /nfs/dbraw/zinc/30/14/00/628301400.db2.gz SQXWMFYYAVGFLO-QGZVFWFLSA-N 2 0 288.439 2.354 20 30 CEEDRP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000261549023 628937287 /nfs/dbraw/zinc/93/72/87/628937287.db2.gz KDORVWFEDHHYRK-BFHYXJOUSA-N 2 0 254.443 2.416 20 30 CEEDRP N#Cc1ccc(NCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)nc1 ZINC000925894496 628987619 /nfs/dbraw/zinc/98/76/19/628987619.db2.gz ZFIMAKRXOHUVPI-HOTGVXAUSA-N 2 0 293.374 2.100 20 30 CEEDRP C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CC[NH+](C)CC1 ZINC000894415034 629446946 /nfs/dbraw/zinc/44/69/46/629446946.db2.gz VEJOTZWREZFFIF-UHFFFAOYSA-N 2 0 292.423 2.492 20 30 CEEDRP CCN(CC)C(=[NH2+])NCCCCCCC[NH+](C)C ZINC000303887752 629666784 /nfs/dbraw/zinc/66/67/84/629666784.db2.gz ONIZAYSKRHFRCG-UHFFFAOYSA-N 2 0 256.438 2.155 20 30 CEEDRP CC(C)NC(=[NH2+])NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000303888327 631092719 /nfs/dbraw/zinc/09/27/19/631092719.db2.gz OWJFSYLETAUULW-CHWSQXEVSA-N 2 0 268.449 2.056 20 30 CEEDRP C[C@H]1CCCC[N@@H+]1CCCCNC(=[NH2+])NC(C)(C)C ZINC000303906556 631093351 /nfs/dbraw/zinc/09/33/51/631093351.db2.gz WFAFSBSPELZHDM-ZDUSSCGKSA-N 2 0 268.449 2.344 20 30 CEEDRP CCCCCCNC(=[NH2+])NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000305042261 631106530 /nfs/dbraw/zinc/10/65/30/631106530.db2.gz WEQLPRGZHQFUHS-HNNXBMFYSA-N 2 0 282.476 2.449 20 30 CEEDRP C#CCOc1ccc(CN2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000897621726 631825462 /nfs/dbraw/zinc/82/54/62/631825462.db2.gz PTJRPUNPRPPLCR-AEFFLSMTSA-N 2 0 284.403 2.082 20 30 CEEDRP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCN1CCC(C)(C)C1 ZINC000898034137 632025812 /nfs/dbraw/zinc/02/58/12/632025812.db2.gz JAFMCMJUJQREAY-HNNXBMFYSA-N 2 0 293.455 2.407 20 30 CEEDRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817955269 633798446 /nfs/dbraw/zinc/79/84/46/633798446.db2.gz UUQKUEOILWAYDA-KGLIPLIRSA-N 2 0 273.380 2.239 20 30 CEEDRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902789103 634833453 /nfs/dbraw/zinc/83/34/53/634833453.db2.gz BUYVFCFQTULPNZ-ZDUSSCGKSA-N 2 0 272.396 2.336 20 30 CEEDRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903482480 635151286 /nfs/dbraw/zinc/15/12/86/635151286.db2.gz IZFLNEISMOHEEW-STQMWFEESA-N 2 0 263.772 2.427 20 30 CEEDRP C=CCCCCC[N@@H+](C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903734576 635250103 /nfs/dbraw/zinc/25/01/03/635250103.db2.gz SAKBRTMTGCEWHM-CVEARBPZSA-N 2 0 266.429 2.433 20 30 CEEDRP C=CC[C@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903769246 635259717 /nfs/dbraw/zinc/25/97/17/635259717.db2.gz AOXZSWUWIJCYSR-LSDHHAIUSA-N 2 0 264.413 2.043 20 30 CEEDRP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903810497 635284191 /nfs/dbraw/zinc/28/41/91/635284191.db2.gz CGJLWYICHZRHDD-LSDHHAIUSA-N 2 0 266.429 2.297 20 30 CEEDRP C=CCc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc(OC)c1O ZINC000904406339 635613426 /nfs/dbraw/zinc/61/34/26/635613426.db2.gz QHFCFOYVZDMRHJ-ZDUSSCGKSA-N 2 0 290.407 2.300 20 30 CEEDRP C#CCCCCCC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877027650 650537565 /nfs/dbraw/zinc/53/75/65/650537565.db2.gz QTFCSDFVBHITEF-KRWDZBQOSA-N 2 0 291.483 2.328 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000105458728 640633757 /nfs/dbraw/zinc/63/37/57/640633757.db2.gz VGFQPSRBOYHYTE-CQSZACIVSA-N 2 0 287.407 2.409 20 30 CEEDRP C=CC[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000997061077 642177657 /nfs/dbraw/zinc/17/76/57/642177657.db2.gz ADROBPVVADYOST-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC2=[NH+]CCCN2C)C1 ZINC000848989942 642211108 /nfs/dbraw/zinc/21/11/08/642211108.db2.gz MVPGIWUVDOXCSL-HUUCEWRRSA-N 2 0 280.460 2.026 20 30 CEEDRP C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001000375293 642596465 /nfs/dbraw/zinc/59/64/65/642596465.db2.gz CCLLGJZYJRNOKW-HOTGVXAUSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003219001 642920958 /nfs/dbraw/zinc/92/09/58/642920958.db2.gz FIIGPKNYDQIDKX-UHFFFAOYSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000878020809 650975775 /nfs/dbraw/zinc/97/57/75/650975775.db2.gz QMSYOKBFMABAHV-ULQDDVLXSA-N 2 0 279.472 2.441 20 30 CEEDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000769943398 646337815 /nfs/dbraw/zinc/33/78/15/646337815.db2.gz KORLJHKCOXSLRV-SJORKVTESA-N 2 0 298.434 2.220 20 30 CEEDRP C#CCSCC[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000773009608 646695698 /nfs/dbraw/zinc/69/56/98/646695698.db2.gz CYWQZNXXGAQHMH-HOTGVXAUSA-N 2 0 298.496 2.079 20 30 CEEDRP C[N@@H+](CCc1cccc(C#N)c1)CCC1CC[NH2+]CC1 ZINC000866698055 647872696 /nfs/dbraw/zinc/87/26/96/647872696.db2.gz LVUKTRHZCFCCKI-UHFFFAOYSA-N 2 0 271.408 2.422 20 30 CEEDRP N#Cc1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000866703738 647876116 /nfs/dbraw/zinc/87/61/16/647876116.db2.gz LHSHPDFJQYPWKC-KRWDZBQOSA-N 2 0 298.434 2.070 20 30 CEEDRP CC[NH+](CC)CC#C[C@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793179807 648718665 /nfs/dbraw/zinc/71/86/65/648718665.db2.gz MGTWRARMRBWMFF-AWEZNQCLSA-N 2 0 299.374 2.225 20 30 CEEDRP C=CCC[C@H](CC)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290655 649629130 /nfs/dbraw/zinc/62/91/30/649629130.db2.gz FMJNXEIEFTUAFX-LSDHHAIUSA-N 2 0 266.429 2.480 20 30 CEEDRP C[C@H](C#N)OCC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880516899 651454136 /nfs/dbraw/zinc/45/41/36/651454136.db2.gz CWFCLSYCWBKIMQ-OAHLLOKOSA-N 2 0 267.417 2.113 20 30 CEEDRP C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001046433633 811755215 /nfs/dbraw/zinc/75/52/15/811755215.db2.gz XGVIWSOXSKWUGK-KRWDZBQOSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CC[N@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001267318060 803362034 /nfs/dbraw/zinc/36/20/34/803362034.db2.gz RCOZAZGWSHOQBU-INIZCTEOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001267504538 803515564 /nfs/dbraw/zinc/51/55/64/803515564.db2.gz UMNIGZZXZUBPDK-MRXNPFEDSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn2c(C)cnc2c1 ZINC001027884449 804318145 /nfs/dbraw/zinc/31/81/45/804318145.db2.gz ZYMVKJQCLXJKEK-OAHLLOKOSA-N 2 0 298.390 2.023 20 30 CEEDRP C=CCCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001269034154 805030053 /nfs/dbraw/zinc/03/00/53/805030053.db2.gz RGESWPMUVPMPBR-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001270260791 805385214 /nfs/dbraw/zinc/38/52/14/805385214.db2.gz HQIPAJWWNAYWIA-OAHLLOKOSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC001270458514 805442734 /nfs/dbraw/zinc/44/27/34/805442734.db2.gz QHEBIAVLHPJLMM-INIZCTEOSA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001171509255 815189784 /nfs/dbraw/zinc/18/97/84/815189784.db2.gz NUJNHBKCZAIGJH-LSDHHAIUSA-N 2 0 283.460 2.167 20 30 CEEDRP C=C(C)C(=O)NCCC[NH2+]C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171621064 815204851 /nfs/dbraw/zinc/20/48/51/815204851.db2.gz HZTIPIKJEBJOCB-UHFFFAOYSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001272785401 808663994 /nfs/dbraw/zinc/66/39/94/808663994.db2.gz AQVUEHQFDVZTTQ-WKILWMFISA-N 2 0 295.471 2.167 20 30 CEEDRP C=C(C)CC[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034129884 809526096 /nfs/dbraw/zinc/52/60/96/809526096.db2.gz FFZDCNHPZFRJAL-HOTGVXAUSA-N 2 0 293.455 2.018 20 30 CEEDRP Cc1cc(C#N)ccc1CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000702397344 809546869 /nfs/dbraw/zinc/54/68/69/809546869.db2.gz ZXZNGVVLBNXSNU-SJORKVTESA-N 2 0 269.392 2.250 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001034796186 809695803 /nfs/dbraw/zinc/69/58/03/809695803.db2.gz DYHDHTSJKACYSF-JYJNAYRXSA-N 2 0 293.455 2.064 20 30 CEEDRP CCCCCCC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710627778 810001731 /nfs/dbraw/zinc/00/17/31/810001731.db2.gz UBLDJVMQTOTGFD-UHFFFAOYSA-N 2 0 256.434 2.345 20 30 CEEDRP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C)([NH3+])CC1 ZINC001172297372 815387484 /nfs/dbraw/zinc/38/74/84/815387484.db2.gz OTHLGNDFOIIUCD-CYBMUJFWSA-N 2 0 257.381 2.302 20 30 CEEDRP C=CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001045528695 811622878 /nfs/dbraw/zinc/62/28/78/811622878.db2.gz BMVZETHYNDWFNU-HNNXBMFYSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002629 811982397 /nfs/dbraw/zinc/98/23/97/811982397.db2.gz NXIODBKNZSVRJI-PMPSAXMXSA-N 2 0 293.455 2.016 20 30 CEEDRP CCCCCCC[NH+]1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001113495698 812260873 /nfs/dbraw/zinc/26/08/73/812260873.db2.gz UDXJMLSLIUDWMY-UHFFFAOYSA-N 2 0 297.487 2.443 20 30 CEEDRP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[C@H]1C ZINC001132310912 812829908 /nfs/dbraw/zinc/82/99/08/812829908.db2.gz PZDWEGGXFZWFRY-CABCVRRESA-N 2 0 295.471 2.119 20 30 CEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)CC[C@@H]1C ZINC001132410837 812842979 /nfs/dbraw/zinc/84/29/79/812842979.db2.gz OYIRAWDFQUDQSR-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[C@@H]1C ZINC001132434092 812849146 /nfs/dbraw/zinc/84/91/46/812849146.db2.gz TYFPXPUXTMEYTR-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001134369847 813262128 /nfs/dbraw/zinc/26/21/28/813262128.db2.gz SSWHJSGHYYOJEU-GJZGRUSLSA-N 2 0 295.471 2.310 20 30 CEEDRP C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001134584533 813293090 /nfs/dbraw/zinc/29/30/90/813293090.db2.gz UYCLXBPLPDGMJA-LSDHHAIUSA-N 2 0 295.471 2.310 20 30 CEEDRP C=CCC[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1CCCC ZINC001170784017 813350817 /nfs/dbraw/zinc/35/08/17/813350817.db2.gz CGYDOAGZEPRQPD-MRXNPFEDSA-N 2 0 295.471 2.313 20 30 CEEDRP C=CCCC[NH2+]CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001135336533 813411278 /nfs/dbraw/zinc/41/12/78/813411278.db2.gz AWHUXFRMBLIDDT-UHFFFAOYSA-N 2 0 289.423 2.034 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1C ZINC001071738093 813473447 /nfs/dbraw/zinc/47/34/47/813473447.db2.gz AEPQKQVFZRBFMT-HUUCEWRRSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+](CC)CC ZINC001135747876 813517320 /nfs/dbraw/zinc/51/73/20/813517320.db2.gz WFIXYAKTTBRMNF-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP N#CCc1ccc(C(F)(F)F)cc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900257 813626249 /nfs/dbraw/zinc/62/62/49/813626249.db2.gz JTNBGFNWWJSTMT-GFCCVEGCSA-N 2 0 286.301 2.207 20 30 CEEDRP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C[NH3+])CC1 ZINC001246538278 813943025 /nfs/dbraw/zinc/94/30/25/813943025.db2.gz NDYIHZKGCQAABJ-ZDUSSCGKSA-N 2 0 257.381 2.160 20 30 CEEDRP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001246644780 814242011 /nfs/dbraw/zinc/24/20/11/814242011.db2.gz JBXHAECTNQCQES-XHSDSOJGSA-N 2 0 268.445 2.249 20 30 CEEDRP CCCCCCC[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146711722 814311802 /nfs/dbraw/zinc/31/18/02/814311802.db2.gz VLAYPBMLVCVEFM-UHFFFAOYSA-N 2 0 271.449 2.004 20 30 CEEDRP C=CCN1CC[NH+](Cc2ccc(-n3ccnc3C)cc2)CC1 ZINC001138547349 815825138 /nfs/dbraw/zinc/82/51/38/815825138.db2.gz LLXBKXNWNJMYOT-UHFFFAOYSA-N 2 0 296.418 2.484 20 30 CEEDRP C#CCOc1ccc(C[NH+]2CC3(C2)CC[NH+](C)CC3)cc1 ZINC001138559824 815827531 /nfs/dbraw/zinc/82/75/31/815827531.db2.gz CYOFNKQQVFUKGO-UHFFFAOYSA-N 2 0 284.403 2.226 20 30 CEEDRP C#CC1CC[NH+](Cc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC001140974557 816428699 /nfs/dbraw/zinc/42/86/99/816428699.db2.gz CWUBGYYGIRRCKI-UHFFFAOYSA-N 2 0 297.446 2.284 20 30 CEEDRP C=CCC[NH2+]CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC001179464337 816865496 /nfs/dbraw/zinc/86/54/96/816865496.db2.gz RETQKVRXAWYIHI-UHFFFAOYSA-N 2 0 295.471 2.171 20 30 CEEDRP CC[NH+]1CCC([NH2+]Cc2ccc(OCC#N)cc2)CC1 ZINC000037976781 361969671 /nfs/dbraw/zinc/96/96/71/361969671.db2.gz GCNDAYFAUSDSLF-UHFFFAOYSA-N 2 0 273.380 2.163 20 30 CEEDRP C=CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285410881 344678542 /nfs/dbraw/zinc/67/85/42/344678542.db2.gz BJZJUEPAKWALAF-LJQANCHMSA-N 2 0 299.462 2.455 20 30 CEEDRP N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)c1 ZINC000592470972 345358611 /nfs/dbraw/zinc/35/86/11/345358611.db2.gz PXTAJIAXPDLWDW-VHDGCEQUSA-N 2 0 273.355 2.175 20 30 CEEDRP N#CC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCCC1 ZINC000594740526 345683827 /nfs/dbraw/zinc/68/38/27/345683827.db2.gz YQKPAOZWULPXFM-RRFJBIMHSA-N 2 0 261.413 2.438 20 30 CEEDRP C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000595055594 345735605 /nfs/dbraw/zinc/73/56/05/345735605.db2.gz GXNMHUAODCRQAA-XJKSGUPXSA-N 2 0 257.381 2.173 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000596653313 346072957 /nfs/dbraw/zinc/07/29/57/346072957.db2.gz ZZRFKDOZFOXNCD-HOTGVXAUSA-N 2 0 257.381 2.208 20 30 CEEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598716175 346406516 /nfs/dbraw/zinc/40/65/16/346406516.db2.gz ZCUBOCSSUSCRKN-HOTGVXAUSA-N 2 0 295.471 2.389 20 30 CEEDRP C[N@H+](CCC[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CCCCC1 ZINC000600719307 346677948 /nfs/dbraw/zinc/67/79/48/346677948.db2.gz UXUCLLLFJWDANZ-INIZCTEOSA-N 2 0 293.455 2.285 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000600767258 346686467 /nfs/dbraw/zinc/68/64/67/346686467.db2.gz AHMYMAUVCKVLEV-KBPBESRZSA-N 2 0 273.380 2.363 20 30 CEEDRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(C#N)o1)CC[NH2+]CC2 ZINC000600769002 346686634 /nfs/dbraw/zinc/68/66/34/346686634.db2.gz IUUOPGLUDKZAIY-LBPRGKRZSA-N 2 0 259.353 2.115 20 30 CEEDRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000602655343 347125549 /nfs/dbraw/zinc/12/55/49/347125549.db2.gz JWMZFMMFRCWJDW-UHFFFAOYSA-N 2 0 293.455 2.141 20 30 CEEDRP CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000610859159 347718458 /nfs/dbraw/zinc/71/84/58/347718458.db2.gz DMSADYDWQTUZSV-GASCZTMLSA-N 2 0 269.392 2.139 20 30 CEEDRP CC(C)(C#N)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000614160906 348152483 /nfs/dbraw/zinc/15/24/83/348152483.db2.gz TXBSINAZNOXBMW-GASCZTMLSA-N 2 0 269.392 2.139 20 30 CEEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000618574586 348980379 /nfs/dbraw/zinc/98/03/79/348980379.db2.gz DCAABDNPTDUSPT-LSDHHAIUSA-N 2 0 299.422 2.328 20 30 CEEDRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCC[C@H](C#N)C2)CC1 ZINC000618574582 348980497 /nfs/dbraw/zinc/98/04/97/348980497.db2.gz DCAABDNPTDUSPT-GJZGRUSLSA-N 2 0 299.422 2.328 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1 ZINC000619771195 349234578 /nfs/dbraw/zinc/23/45/78/349234578.db2.gz UZOHCTXUDBUMEM-HNNXBMFYSA-N 2 0 260.381 2.435 20 30 CEEDRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(CC#N)CC2)cc1 ZINC000619531818 349194659 /nfs/dbraw/zinc/19/46/59/349194659.db2.gz BMNDBTIATJBZIK-UHFFFAOYSA-N 2 0 287.407 2.410 20 30 CEEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC1([NH3+])CCC1)C(C)C ZINC000236655625 539817266 /nfs/dbraw/zinc/81/72/66/539817266.db2.gz SMEFSRASWWFVIL-HNNXBMFYSA-N 2 0 293.455 2.073 20 30 CEEDRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1C#N ZINC000135175217 187803644 /nfs/dbraw/zinc/80/36/44/187803644.db2.gz JYWLPZSXWBZOBA-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP C[N@H+]1[C@@H]2CCC[C@H]1CC(NCc1ccc(C#N)o1)C2 ZINC000135233795 366412970 /nfs/dbraw/zinc/41/29/70/366412970.db2.gz HCZQWIROEBYCKL-YHWZYXNKSA-N 2 0 259.353 2.256 20 30 CEEDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000135690483 366468404 /nfs/dbraw/zinc/46/84/04/366468404.db2.gz NZZNAAPRFSDFBU-UHFFFAOYSA-N 2 0 263.410 2.441 20 30 CEEDRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H](C)C1 ZINC000090106714 364040490 /nfs/dbraw/zinc/04/04/90/364040490.db2.gz GVJLDKAWJPGCPV-RHSMWYFYSA-N 2 0 287.407 2.257 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000334979860 364303866 /nfs/dbraw/zinc/30/38/66/364303866.db2.gz JWGSVCMYBPILRS-IAGOWNOFSA-N 2 0 269.392 2.380 20 30 CEEDRP C=C(Br)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158556835 366858587 /nfs/dbraw/zinc/85/85/87/366858587.db2.gz MBPFFGVDAQJKFX-RYUDHWBXSA-N 2 0 273.218 2.311 20 30 CEEDRP C=CCc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1O ZINC000346693815 368776417 /nfs/dbraw/zinc/77/64/17/368776417.db2.gz PVDSDYLQCXMFFA-OCCSQVGLSA-N 2 0 290.407 2.298 20 30 CEEDRP C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000186691492 369020910 /nfs/dbraw/zinc/02/09/10/369020910.db2.gz NINRYZGESYTWEH-ZBFHGGJFSA-N 2 0 292.423 2.215 20 30 CEEDRP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000351412170 369635154 /nfs/dbraw/zinc/63/51/54/369635154.db2.gz LPOCJMUKIDBRFS-ILXRZTDVSA-N 2 0 254.418 2.118 20 30 CEEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@H]21 ZINC000227336053 370367745 /nfs/dbraw/zinc/36/77/45/370367745.db2.gz LFPKFRHZQFGNDE-IAGOWNOFSA-N 2 0 269.392 2.474 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000264084431 371967198 /nfs/dbraw/zinc/96/71/98/371967198.db2.gz JLDPGNNAUXEDEV-INIZCTEOSA-N 2 0 288.439 2.384 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264095846 371968874 /nfs/dbraw/zinc/96/88/74/371968874.db2.gz MLOVEWVLAAQMEK-AWEZNQCLSA-N 2 0 286.423 2.460 20 30 CEEDRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NC2CCCC2)c1 ZINC000264108323 371969907 /nfs/dbraw/zinc/96/99/07/371969907.db2.gz PYKCDTHJIBUCBJ-UHFFFAOYSA-N 2 0 274.412 2.095 20 30 CEEDRP CNC(=[NH2+])NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000264125644 371974175 /nfs/dbraw/zinc/97/41/75/371974175.db2.gz SEPSKJHMSYGVKZ-CYBMUJFWSA-N 2 0 274.412 2.095 20 30 CEEDRP Cn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C#N ZINC000290373895 376752798 /nfs/dbraw/zinc/75/27/98/376752798.db2.gz HQYFXNHBIOKZRW-INIZCTEOSA-N 2 0 286.423 2.060 20 30 CEEDRP C=CCCCC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000562542277 376927506 /nfs/dbraw/zinc/92/75/06/376927506.db2.gz KSHVCAKJVUTOQT-INIZCTEOSA-N 2 0 266.429 2.387 20 30 CEEDRP N#Cc1cccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000565043538 377541641 /nfs/dbraw/zinc/54/16/41/377541641.db2.gz FZESGNVRJZJIMQ-ROUUACIJSA-N 2 0 299.418 2.277 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000436303710 377823071 /nfs/dbraw/zinc/82/30/71/377823071.db2.gz CIWUOEIDFIHYPG-YJNKXOJESA-N 2 0 252.402 2.040 20 30 CEEDRP C=CCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441270109 377934331 /nfs/dbraw/zinc/93/43/31/377934331.db2.gz NTKQJVTYIAHXNG-RBSFLKMASA-N 2 0 252.402 2.136 20 30 CEEDRP C#CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000266175956 190237263 /nfs/dbraw/zinc/23/72/63/190237263.db2.gz SWGORTCJVVEQMU-GOEBONIOSA-N 2 0 272.392 2.271 20 30 CEEDRP C[N@@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000265944619 394656757 /nfs/dbraw/zinc/65/67/57/394656757.db2.gz GJJVPESBQFQXSG-INIZCTEOSA-N 2 0 287.407 2.363 20 30 CEEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000335459754 394768618 /nfs/dbraw/zinc/76/86/18/394768618.db2.gz DRMVBCJVXTYJPO-INIZCTEOSA-N 2 0 255.365 2.135 20 30 CEEDRP C=CCCOCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362309841 394852651 /nfs/dbraw/zinc/85/26/51/394852651.db2.gz NYKBQXMUQWFGOI-GVDBMIGSSA-N 2 0 296.455 2.058 20 30 CEEDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[NH2+]1 ZINC000423375779 394907419 /nfs/dbraw/zinc/90/74/19/394907419.db2.gz IUUXQSCNQRCMLH-DJSGYFEHSA-N 2 0 255.365 2.276 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000423506062 394939364 /nfs/dbraw/zinc/93/93/64/394939364.db2.gz LXOQEOXNAOOOMS-DOTOQJQBSA-N 2 0 298.434 2.244 20 30 CEEDRP CC#CCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000155368218 395027628 /nfs/dbraw/zinc/02/76/28/395027628.db2.gz UKIHYUKLPCBXAP-HOTGVXAUSA-N 2 0 278.440 2.221 20 30 CEEDRP C=CCN1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367619899 394966681 /nfs/dbraw/zinc/96/66/81/394966681.db2.gz PSJFEKVBTDHPKL-GVDBMIGSSA-N 2 0 277.456 2.099 20 30 CEEDRP C[C@@H]1C[NH+](CC2CC[NH+](CCCC#N)CC2)C[C@@H](C)O1 ZINC000373981391 395068715 /nfs/dbraw/zinc/06/87/15/395068715.db2.gz OWTSAEROYGWEHV-HUUCEWRRSA-N 2 0 279.428 2.111 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000289182890 395071386 /nfs/dbraw/zinc/07/13/86/395071386.db2.gz GFWKQZYIMWJHMW-QGZVFWFLSA-N 2 0 256.393 2.489 20 30 CEEDRP C#Cc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000289247078 395072749 /nfs/dbraw/zinc/07/27/49/395072749.db2.gz LMOWWLWCBIYCPX-OAHLLOKOSA-N 2 0 256.393 2.489 20 30 CEEDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)CCC#N ZINC000374253227 395077789 /nfs/dbraw/zinc/07/77/89/395077789.db2.gz GIVBZVFQMXNPSI-OWCLPIDISA-N 2 0 293.455 2.500 20 30 CEEDRP C=CCOCCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000348061185 395134504 /nfs/dbraw/zinc/13/45/04/395134504.db2.gz YCHHPDOQYPJZKO-GJZGRUSLSA-N 2 0 254.418 2.241 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792872 395755371 /nfs/dbraw/zinc/75/53/71/395755371.db2.gz CJPQRPNQOQSYNS-YQQAZPJKSA-N 2 0 277.456 2.005 20 30 CEEDRP C=CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000650715129 401005648 /nfs/dbraw/zinc/00/56/48/401005648.db2.gz QPUOPGLUMMPISB-NVXWUHKLSA-N 2 0 290.407 2.047 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)C1 ZINC000651675302 401369700 /nfs/dbraw/zinc/36/97/00/401369700.db2.gz PALJDHYJZLWTPR-RDJZCZTQSA-N 2 0 279.472 2.347 20 30 CEEDRP C=CC[C@H]1CC[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000651794291 401393193 /nfs/dbraw/zinc/39/31/93/401393193.db2.gz PZDUBDUDFZYTCD-HOTGVXAUSA-N 2 0 279.472 2.347 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000367598303 156215543 /nfs/dbraw/zinc/21/55/43/156215543.db2.gz DPENOAXGEZZTSN-FGTMMUONSA-N 2 0 299.418 2.399 20 30 CEEDRP C=CC[C@@]1(C(=O)Nc2cc(C)cc(C[NH3+])c2)CCC[NH2+]1 ZINC000662818894 414758292 /nfs/dbraw/zinc/75/82/92/414758292.db2.gz FETFXWMBKNKPOP-INIZCTEOSA-N 2 0 273.380 2.091 20 30 CEEDRP C=CC[C@]1(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CCC[NH2+]1 ZINC000662422486 415835599 /nfs/dbraw/zinc/83/55/99/415835599.db2.gz PXPIAYYSWJKDMT-MLGOLLRUSA-N 2 0 273.380 2.343 20 30 CEEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000288807552 263106144 /nfs/dbraw/zinc/10/61/44/263106144.db2.gz ZZSZCPXFZIMKOO-NSHDSACASA-N 2 0 296.365 2.423 20 30 CEEDRP C=CCc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(OC)c1O ZINC000414904495 263111649 /nfs/dbraw/zinc/11/16/49/263111649.db2.gz LTFLLAIIHHQEGI-OAHLLOKOSA-N 2 0 290.407 2.361 20 30 CEEDRP C=CCc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(OC)c1O ZINC000414953220 263159367 /nfs/dbraw/zinc/15/93/67/263159367.db2.gz JIPPHHUWHGAHNY-IUODEOHRSA-N 2 0 290.407 2.217 20 30 CEEDRP C[NH+]=C(NCC1(C)CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000121487657 263295937 /nfs/dbraw/zinc/29/59/37/263295937.db2.gz NXQXPSANZOHQOF-OAHLLOKOSA-N 2 0 290.455 2.088 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000330694910 264004864 /nfs/dbraw/zinc/00/48/64/264004864.db2.gz ZFHREVLYLZNXPW-HOTGVXAUSA-N 2 0 293.455 2.284 20 30 CEEDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc(C#N)cs2)C1 ZINC000459729331 267338176 /nfs/dbraw/zinc/33/81/76/267338176.db2.gz JBCSHRWRAWOWGV-GFCCVEGCSA-N 2 0 263.410 2.441 20 30 CEEDRP C[C@@H](CC[NH+](C)C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353387996 278229159 /nfs/dbraw/zinc/22/91/59/278229159.db2.gz PHIOKXZLYGBBCN-BLLLJJGKSA-N 2 0 257.381 2.475 20 30 CEEDRP CC[C@@H](C)[N@H+](C)CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288753615 328253515 /nfs/dbraw/zinc/25/35/15/328253515.db2.gz RDEBJIXKDXHFND-SNVBAGLBSA-N 2 0 284.354 2.422 20 30 CEEDRP C=CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377999212 329036746 /nfs/dbraw/zinc/03/67/46/329036746.db2.gz IRCBPLRNPDDBLB-UHFFFAOYSA-N 2 0 279.472 2.301 20 30 CEEDRP C=C(C)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171305006 329073643 /nfs/dbraw/zinc/07/36/43/329073643.db2.gz XMTJTSLSJACSBM-HUUCEWRRSA-N 2 0 266.429 2.384 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1OC ZINC000572363943 330004712 /nfs/dbraw/zinc/00/47/12/330004712.db2.gz MKUMBFKUKALKRG-QWHCGFSZSA-N 2 0 278.396 2.475 20 30 CEEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@H]1c1cccs1 ZINC000262672572 330025975 /nfs/dbraw/zinc/02/59/75/330025975.db2.gz PZELAYAVIWXHBH-RISCZKNCSA-N 2 0 292.452 2.198 20 30 CEEDRP C=C(C)CN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC ZINC000580445573 330139379 /nfs/dbraw/zinc/13/93/79/330139379.db2.gz KMFFZFMEHKSPHD-QGZVFWFLSA-N 2 0 276.424 2.377 20 30 CEEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422972649 330164719 /nfs/dbraw/zinc/16/47/19/330164719.db2.gz ACOWISKDQGRJCP-GDBMZVCRSA-N 2 0 265.445 2.134 20 30 CEEDRP C=CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1CC1 ZINC000120145738 330385800 /nfs/dbraw/zinc/38/58/00/330385800.db2.gz GVLGBVIKCDTQKG-KRWDZBQOSA-N 2 0 279.472 2.348 20 30 CEEDRP CCNC(NCCC[N@H+](C)C1CCCCC1)=[NH+]CC ZINC000066242098 625814915 /nfs/dbraw/zinc/81/49/15/625814915.db2.gz OYROLFRIUSNNPM-UHFFFAOYSA-N 2 0 268.449 2.216 20 30 CEEDRP C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC[N@H+]1CCCC ZINC000104181582 628711706 /nfs/dbraw/zinc/71/17/06/628711706.db2.gz QNPRNZHBIQHCPZ-AWEZNQCLSA-N 2 0 266.433 2.121 20 30 CEEDRP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(OCC#N)cc1 ZINC000925881418 628980945 /nfs/dbraw/zinc/98/09/45/628980945.db2.gz AJWWVCPDHFRFJQ-GUTXKFCHSA-N 2 0 273.380 2.367 20 30 CEEDRP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCC(C)CC1 ZINC000303768985 629114086 /nfs/dbraw/zinc/11/40/86/629114086.db2.gz ARMLWXMQQAUIFC-UHFFFAOYSA-N 2 0 268.449 2.059 20 30 CEEDRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000894102953 629130102 /nfs/dbraw/zinc/13/01/02/629130102.db2.gz QRGVMGLZIXVQPW-QGZVFWFLSA-N 2 0 269.392 2.477 20 30 CEEDRP C#CC[C@@H](COC)[NH2+]C1CC[NH+](CCC(C)C)CC1 ZINC000895671968 630300685 /nfs/dbraw/zinc/30/06/85/630300685.db2.gz NJIRYVMNJLQKBY-INIZCTEOSA-N 2 0 266.429 2.125 20 30 CEEDRP C[N@H+](CCCNC(=[NH2+])N1CCSCC1)C1CCCCC1 ZINC000303886163 631092928 /nfs/dbraw/zinc/09/29/28/631092928.db2.gz KDECGPNRUTZUGJ-UHFFFAOYSA-N 2 0 298.500 2.005 20 30 CEEDRP C=CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000800334471 631112635 /nfs/dbraw/zinc/11/26/35/631112635.db2.gz DPURCOCSBRPBSH-UHFFFAOYSA-N 2 0 267.461 2.299 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)[C@@H]1C ZINC000986427788 631239748 /nfs/dbraw/zinc/23/97/48/631239748.db2.gz UKCKUWQZEOXFGW-TZMCWYRMSA-N 2 0 298.390 2.332 20 30 CEEDRP C=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000986462089 631244389 /nfs/dbraw/zinc/24/43/89/631244389.db2.gz HXTMRFOXKARBDO-CJNGLKHVSA-N 2 0 298.390 2.021 20 30 CEEDRP CCC(=[NH+]NCCN1CCCCC1)c1cccc(N)c1 ZINC000814809093 632902346 /nfs/dbraw/zinc/90/23/46/632902346.db2.gz YCKGMRAKZBWKNG-UHFFFAOYSA-N 2 0 274.412 2.458 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)cc1 ZINC000817954725 633798769 /nfs/dbraw/zinc/79/87/69/633798769.db2.gz HXQAJOQYWGHGSD-GJZGRUSLSA-N 2 0 272.392 2.349 20 30 CEEDRP C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000817969068 633812079 /nfs/dbraw/zinc/81/20/79/633812079.db2.gz QPTMBQCAVYKUBH-ZBFHGGJFSA-N 2 0 272.392 2.491 20 30 CEEDRP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904313432 635561423 /nfs/dbraw/zinc/56/14/23/635561423.db2.gz GDNVWJFKEVQAKR-OKILXGFUSA-N 2 0 275.352 2.320 20 30 CEEDRP C=CCOc1ccc(C[NH2+]C2CC([NH3+])C2)cc1Cl ZINC000906509261 636760770 /nfs/dbraw/zinc/76/07/70/636760770.db2.gz DBRJECXYWIXAKA-UHFFFAOYSA-N 2 0 266.772 2.484 20 30 CEEDRP C#CC[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000829810358 636936167 /nfs/dbraw/zinc/93/61/67/636936167.db2.gz OQYVWBUHJMCPFN-GOSISDBHSA-N 2 0 291.483 2.138 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)NCC1CC[NH2+]CC1 ZINC000911672221 638345125 /nfs/dbraw/zinc/34/51/25/638345125.db2.gz ISUBBGNUUYKMGI-HNNXBMFYSA-N 2 0 283.460 2.180 20 30 CEEDRP CCCCCCCC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911737623 638386664 /nfs/dbraw/zinc/38/66/64/638386664.db2.gz XEFDGALQZJQPIB-GJZGRUSLSA-N 2 0 283.460 2.275 20 30 CEEDRP C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911848771 638443893 /nfs/dbraw/zinc/44/38/93/638443893.db2.gz WXTNHNKLCBJOEY-BXUZGUMPSA-N 2 0 261.369 2.328 20 30 CEEDRP C[NH+]1CCC(C)(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000226349705 639537997 /nfs/dbraw/zinc/53/79/97/639537997.db2.gz XZGOWSUGJDWSGL-UHFFFAOYSA-N 2 0 256.393 2.360 20 30 CEEDRP CCCO[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000842555693 640101613 /nfs/dbraw/zinc/10/16/13/640101613.db2.gz ZWVVWFVWELPISC-UHFFFAOYSA-N 2 0 261.369 2.199 20 30 CEEDRP CN/C(=[NH+]/C)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000153738775 640616572 /nfs/dbraw/zinc/61/65/72/640616572.db2.gz UVJGHNNRVUNEKA-UHFFFAOYSA-N 2 0 280.460 2.024 20 30 CEEDRP CO[NH+]=Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000915958077 640708051 /nfs/dbraw/zinc/70/80/51/640708051.db2.gz LIYGLKYTSTUFDG-UHFFFAOYSA-N 2 0 261.369 2.197 20 30 CEEDRP C[NH+]=C(NCCC1=CCCCC1)NCC1CC[NH+](C)CC1 ZINC000073449074 642331220 /nfs/dbraw/zinc/33/12/20/642331220.db2.gz PSLLMBVNBAQJJR-UHFFFAOYSA-N 2 0 292.471 2.384 20 30 CEEDRP C=CC[N@H+](C[C@H]1CC2(C[NH2+]C2)CO1)CC1CCCCC1 ZINC000923312301 643652969 /nfs/dbraw/zinc/65/29/69/643652969.db2.gz DLZBJWIKKORAFY-MRXNPFEDSA-N 2 0 278.440 2.433 20 30 CEEDRP C#CCCC[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000766223592 645860289 /nfs/dbraw/zinc/86/02/89/645860289.db2.gz RJVAOXLXKPNVAT-HZPDHXFCSA-N 2 0 266.429 2.126 20 30 CEEDRP C#CCCCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878324328 651068049 /nfs/dbraw/zinc/06/80/49/651068049.db2.gz LDFFICHYIFAENZ-MSOLQXFVSA-N 2 0 291.483 2.138 20 30 CEEDRP C=CC[C@@H](C(=O)OC)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000878329429 651068951 /nfs/dbraw/zinc/06/89/51/651068951.db2.gz ZNQKMVBGEIHIID-HNNXBMFYSA-N 2 0 282.428 2.158 20 30 CEEDRP C=CC[C@@H](C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000878544224 651125819 /nfs/dbraw/zinc/12/58/19/651125819.db2.gz OQNMMFPTMYSCRJ-CYBMUJFWSA-N 2 0 261.369 2.177 20 30 CEEDRP COCC[N@H+](CCC(C)(C)C#N)CC1CC[NH+](C)CC1 ZINC000879125887 651247615 /nfs/dbraw/zinc/24/76/15/651247615.db2.gz LJEHKOUOEDWTRB-UHFFFAOYSA-N 2 0 281.444 2.216 20 30 CEEDRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000879251276 651270640 /nfs/dbraw/zinc/27/06/40/651270640.db2.gz RZPFCGWHAPTDQR-HUUCEWRRSA-N 2 0 261.413 2.486 20 30 CEEDRP C[C@H]1C[N@H+](CCCCC#N)CCN1c1cc[nH+]cc1 ZINC000880260123 651412267 /nfs/dbraw/zinc/41/22/67/651412267.db2.gz BBVQMILEFMKOJD-AWEZNQCLSA-N 2 0 258.369 2.286 20 30 CEEDRP C=CC[C@H](C)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000883433838 652468354 /nfs/dbraw/zinc/46/83/54/652468354.db2.gz ZYOACOLXBGMFEC-NWANDNLSSA-N 2 0 252.402 2.169 20 30 CEEDRP C=CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CC2CC2)CC1 ZINC001168366064 806788239 /nfs/dbraw/zinc/78/82/39/806788239.db2.gz JMONIQAJDZAAPR-KRWDZBQOSA-N 2 0 277.456 2.101 20 30 CEEDRP C#CCCC1(CC[NH2+]C2CC[NH+](CC3CC3)CC2)N=N1 ZINC001168372687 806968706 /nfs/dbraw/zinc/96/87/06/806968706.db2.gz ZYUQJFHUSVEEEY-UHFFFAOYSA-N 2 0 274.412 2.416 20 30 CEEDRP C#CCCC[NH+]1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209266617 802492481 /nfs/dbraw/zinc/49/24/81/802492481.db2.gz ZLZJLVACSPQVPB-UHFFFAOYSA-N 2 0 252.377 2.298 20 30 CEEDRP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266583133 802743382 /nfs/dbraw/zinc/74/33/82/802743382.db2.gz OADDUXFPMLXSCB-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001267151970 803167365 /nfs/dbraw/zinc/16/73/65/803167365.db2.gz VYKWIALCSAZNCJ-OAHLLOKOSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+][C@H](CC)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001267813100 803749213 /nfs/dbraw/zinc/74/92/13/803749213.db2.gz NHQYBGXZTWQDCV-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001027879041 804314506 /nfs/dbraw/zinc/31/45/06/804314506.db2.gz LYHPPOVXBKFGMW-HZPDHXFCSA-N 2 0 293.455 2.016 20 30 CEEDRP C=C(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001268158509 804494382 /nfs/dbraw/zinc/49/43/82/804494382.db2.gz FTXZDRRSLVZVQU-JKSUJKDBSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC001268212211 804546662 /nfs/dbraw/zinc/54/66/62/804546662.db2.gz IPMLEVYQZAMUQB-ARFHVFGLSA-N 2 0 295.471 2.023 20 30 CEEDRP C=CC[NH2+]C/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001268557277 804821220 /nfs/dbraw/zinc/82/12/20/804821220.db2.gz BPOIPWPDHKGUIZ-HJWRWDBZSA-N 2 0 293.455 2.087 20 30 CEEDRP SC1CC[NH+](C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168387872 807046509 /nfs/dbraw/zinc/04/65/09/807046509.db2.gz WSPDTMADVYBSHY-UHFFFAOYSA-N 2 0 254.443 2.255 20 30 CEEDRP C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)C1CC[NH+](C)CC1 ZINC001269461288 805171436 /nfs/dbraw/zinc/17/14/36/805171436.db2.gz RQLOWCQKEAUVPI-GDBMZVCRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001270250316 805382581 /nfs/dbraw/zinc/38/25/81/805382581.db2.gz ULZFVJLYXBIYDG-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001203456270 808510763 /nfs/dbraw/zinc/51/07/63/808510763.db2.gz UICBQMSIVCYILV-HNNXBMFYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272978373 809043108 /nfs/dbraw/zinc/04/31/08/809043108.db2.gz RPERZWVIHCVIFD-JYJNAYRXSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001034659164 809654764 /nfs/dbraw/zinc/65/47/64/809654764.db2.gz NUARGSJVIREORO-BZUAXINKSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001015795932 810357153 /nfs/dbraw/zinc/35/71/53/810357153.db2.gz UBMYCLXTKFHLEQ-CVEARBPZSA-N 2 0 293.455 2.018 20 30 CEEDRP C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001085244922 810703118 /nfs/dbraw/zinc/70/31/18/810703118.db2.gz DOSPMQJZDKCTJU-OAGGEKHMSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001038442871 810840872 /nfs/dbraw/zinc/84/08/72/810840872.db2.gz RSODKQKXATUVJG-CQSZACIVSA-N 2 0 298.390 2.023 20 30 CEEDRP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001086418490 811135225 /nfs/dbraw/zinc/13/52/25/811135225.db2.gz VEOBDWRUNBEEFL-CTYIDZIISA-N 2 0 298.390 2.008 20 30 CEEDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]CCc1ccc(C#N)cc1)C2 ZINC001169092205 811384966 /nfs/dbraw/zinc/38/49/66/811384966.db2.gz ZWDYSYRFOUWDCH-OSYLJGHBSA-N 2 0 269.392 2.316 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001169127568 811396066 /nfs/dbraw/zinc/39/60/66/811396066.db2.gz POCHRCYIGGEKMV-MRXNPFEDSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)CC[C@@H]1C ZINC001132441436 812855744 /nfs/dbraw/zinc/85/57/44/812855744.db2.gz OWWHZEJZDTWBKG-HOTGVXAUSA-N 2 0 295.471 2.264 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)CC ZINC001134773735 813322890 /nfs/dbraw/zinc/32/28/90/813322890.db2.gz RCPWYJDOZPDLSK-KBPBESRZSA-N 2 0 283.460 2.166 20 30 CEEDRP C=CC[N@H+]1C[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC[C@@H]1C ZINC001071652888 813460105 /nfs/dbraw/zinc/46/01/05/813460105.db2.gz QCMMFOLLMOJUET-DZGCQCFKSA-N 2 0 298.390 2.103 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001170864032 813562814 /nfs/dbraw/zinc/56/28/14/813562814.db2.gz ZPKQTRFIXAPVKD-BZUAXINKSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@]([NH3+])(CC)CO)cc1 ZINC001170866830 813564644 /nfs/dbraw/zinc/56/46/44/813564644.db2.gz ZTMBZLUUAKFLIR-IAGOWNOFSA-N 2 0 289.423 2.479 20 30 CEEDRP C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001135995822 813583312 /nfs/dbraw/zinc/58/33/12/813583312.db2.gz LNBSWWJQEJFEAC-CABCVRRESA-N 2 0 283.460 2.167 20 30 CEEDRP N#Cc1c(-c2ccccc2)ccnc1N[C@H]([NH3+])CCC[NH3+] ZINC001170895368 813622396 /nfs/dbraw/zinc/62/23/96/813622396.db2.gz RWMSTNBCOSZAEU-HNNXBMFYSA-N 2 0 281.363 2.056 20 30 CEEDRP N#Cc1ccc(-c2ccccc2)nc1N[C@@H]([NH3+])CCC[NH3+] ZINC001170894921 813628278 /nfs/dbraw/zinc/62/82/78/813628278.db2.gz PCWRQJHIHXSVNJ-OAHLLOKOSA-N 2 0 281.363 2.056 20 30 CEEDRP COC(=O)c1ccc(C(=[NH2+])Nc2ccccc2CC[NH3+])cc1 ZINC001170984123 813718119 /nfs/dbraw/zinc/71/81/19/813718119.db2.gz MXCZWGJBZLYFBB-UHFFFAOYSA-N 2 0 297.358 2.011 20 30 CEEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC001246196517 813727655 /nfs/dbraw/zinc/72/76/55/813727655.db2.gz GNRVKDXSWGEBAU-XJKSGUPXSA-N 2 0 257.381 2.078 20 30 CEEDRP CC[NH+](CC)CC[C@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001255946322 814025485 /nfs/dbraw/zinc/02/54/85/814025485.db2.gz SJBJDVWSUPIYPH-ZDUSSCGKSA-N 2 0 272.396 2.384 20 30 CEEDRP C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001100669160 814168813 /nfs/dbraw/zinc/16/88/13/814168813.db2.gz ONEOJMPEVYWJCN-GPANFISMSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001171247518 814223571 /nfs/dbraw/zinc/22/35/71/814223571.db2.gz LLWUWZUYZINGRP-GDBMZVCRSA-N 2 0 295.471 2.167 20 30 CEEDRP C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001146603687 814299725 /nfs/dbraw/zinc/29/97/25/814299725.db2.gz YLMXQXNGWRVBIP-HUUCEWRRSA-N 2 0 283.460 2.166 20 30 CEEDRP C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001146614601 814300306 /nfs/dbraw/zinc/30/03/06/814300306.db2.gz YWYGJKAFJBOCOT-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001146701718 814305206 /nfs/dbraw/zinc/30/52/06/814305206.db2.gz OLJTXHOSXCNQKQ-JKSUJKDBSA-N 2 0 295.471 2.311 20 30 CEEDRP C=CCOC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001173312996 815665521 /nfs/dbraw/zinc/66/55/21/815665521.db2.gz PMJVVKWMSHFBEK-FHERZECASA-N 2 0 266.429 2.432 20 30 CEEDRP Cc1ncc2n1CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173336034 815680651 /nfs/dbraw/zinc/68/06/51/815680651.db2.gz LDXOVUVKZUGDQY-UHFFFAOYSA-N 2 0 258.369 2.480 20 30 CEEDRP C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001175042491 816128226 /nfs/dbraw/zinc/12/82/26/816128226.db2.gz VGGITISCUBTYBY-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP C=CCC[C@H](C)[NH2+]C1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001203010907 816207804 /nfs/dbraw/zinc/20/78/04/816207804.db2.gz ZSBIZHCDYKZGNM-HNNXBMFYSA-N 2 0 295.471 2.264 20 30 CEEDRP C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001175565083 816235775 /nfs/dbraw/zinc/23/57/75/816235775.db2.gz GXPNJQXUPWYDLI-OAHLLOKOSA-N 2 0 295.471 2.169 20 30 CEEDRP CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CC[N@@H+](C)CCC ZINC001176268551 816385767 /nfs/dbraw/zinc/38/57/67/816385767.db2.gz KTHVTZANZGSEQS-MRXNPFEDSA-N 2 0 295.471 2.006 20 30 CEEDRP C=C(C)CC[NH2+]CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001176318111 816395426 /nfs/dbraw/zinc/39/54/26/816395426.db2.gz KDYRHFBWXZUZQC-UHFFFAOYSA-N 2 0 295.471 2.315 20 30 CEEDRP CNC(=[NH2+])NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000076105957 343880080 /nfs/dbraw/zinc/88/00/80/343880080.db2.gz NRGPCHOUKYARHC-KBPBESRZSA-N 2 0 288.439 2.199 20 30 CEEDRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000591578299 345266073 /nfs/dbraw/zinc/26/60/73/345266073.db2.gz NDQYVCUFCDXGDM-RISCZKNCSA-N 2 0 261.344 2.490 20 30 CEEDRP N#Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000592985659 345419018 /nfs/dbraw/zinc/41/90/18/345419018.db2.gz PFGFOGRWFINTDL-OAHLLOKOSA-N 2 0 255.365 2.323 20 30 CEEDRP N#Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594956620 345715759 /nfs/dbraw/zinc/71/57/59/345715759.db2.gz XGCZGDXJTUSLIL-SJORKVTESA-N 2 0 269.392 2.317 20 30 CEEDRP N#Cc1cccc(C2([NH2+]CC[C@@H]3CC[NH2+]C3)CCOCC2)c1 ZINC000595909386 345911730 /nfs/dbraw/zinc/91/17/30/345911730.db2.gz MGQYJXIIWDQFBR-HNNXBMFYSA-N 2 0 299.418 2.153 20 30 CEEDRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)C ZINC000600727537 346679577 /nfs/dbraw/zinc/67/95/77/346679577.db2.gz JSGNBMMBKACMQS-HNNXBMFYSA-N 2 0 281.444 2.140 20 30 CEEDRP N#Cc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000600769027 346686600 /nfs/dbraw/zinc/68/66/00/346686600.db2.gz JMMNAMWDOGOAMV-AWEZNQCLSA-N 2 0 273.380 2.363 20 30 CEEDRP N#CCC1(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000602767866 347189662 /nfs/dbraw/zinc/18/96/62/347189662.db2.gz YXNOLKMDDCNNGG-UHFFFAOYSA-N 2 0 291.439 2.115 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623512472 350038313 /nfs/dbraw/zinc/03/83/13/350038313.db2.gz IZLSSQNSVBAXFA-ILXRZTDVSA-N 2 0 266.429 2.430 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623512473 350038382 /nfs/dbraw/zinc/03/83/82/350038382.db2.gz IZLSSQNSVBAXFA-KFWWJZLASA-N 2 0 266.429 2.430 20 30 CEEDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335024270 364367161 /nfs/dbraw/zinc/36/71/61/364367161.db2.gz CCAVXYZOTIKYHM-IAQYHMDHSA-N 2 0 261.344 2.175 20 30 CEEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC[NH2+]C2)CC1 ZINC000335498934 364792557 /nfs/dbraw/zinc/79/25/57/364792557.db2.gz ZFCJPFGQYLPXOV-AQFXKWCLSA-N 2 0 269.392 2.342 20 30 CEEDRP CCN(CC)C(=[NH2+])NCc1ccccc1C[NH+]1CCCC1 ZINC000170908911 367444468 /nfs/dbraw/zinc/44/44/68/367444468.db2.gz BFWGENZLZAPJTJ-UHFFFAOYSA-N 2 0 288.439 2.439 20 30 CEEDRP C[C@H]1CCC[C@](CNC(=[NH2+])Nc2ccccn2)([NH+](C)C)C1 ZINC000170909617 367444835 /nfs/dbraw/zinc/44/48/35/367444835.db2.gz PMOSEMQESZZSQY-BBRMVZONSA-N 2 0 289.427 2.319 20 30 CEEDRP C=CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CC1 ZINC000245912949 370887597 /nfs/dbraw/zinc/88/75/97/370887597.db2.gz DWLZERABYKJACP-QGZVFWFLSA-N 2 0 279.472 2.348 20 30 CEEDRP C=C(C)C[NH+]1CCC(NCc2c[nH+]ccc2N(C)C)CC1 ZINC000185190055 368764104 /nfs/dbraw/zinc/76/41/04/368764104.db2.gz KRQJVKNOHYTWDR-UHFFFAOYSA-N 2 0 288.439 2.278 20 30 CEEDRP C[NH+](C)CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000350144961 369515488 /nfs/dbraw/zinc/51/54/88/369515488.db2.gz GERRLKVQDMNYMG-UHFFFAOYSA-N 2 0 263.410 2.393 20 30 CEEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2nc(C#N)cs2)C1 ZINC000352841434 369907940 /nfs/dbraw/zinc/90/79/40/369907940.db2.gz RGCPWHJMVSDFKF-CHWSQXEVSA-N 2 0 292.452 2.472 20 30 CEEDRP C[NH+]=C(NCc1ccco1)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000264045828 371957416 /nfs/dbraw/zinc/95/74/16/371957416.db2.gz KQOPZOAXKSDOLN-KGLIPLIRSA-N 2 0 292.427 2.065 20 30 CEEDRP C=CCNC(=[NH2+])NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264059055 371959614 /nfs/dbraw/zinc/95/96/14/371959614.db2.gz CEEHRJNIJJBBDW-UHFFFAOYSA-N 2 0 286.423 2.263 20 30 CEEDRP CCNC(=[NH2+])NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000264081544 371965758 /nfs/dbraw/zinc/96/57/58/371965758.db2.gz INYVQZIEHQPHNS-AWEZNQCLSA-N 2 0 288.439 2.485 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000264095849 371968786 /nfs/dbraw/zinc/96/87/86/371968786.db2.gz MLOVEWVLAAQMEK-CQSZACIVSA-N 2 0 286.423 2.460 20 30 CEEDRP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@H+]2C)c1 ZINC000264106781 371971209 /nfs/dbraw/zinc/97/12/09/371971209.db2.gz PTFYMUQYPFAMHP-AWEZNQCLSA-N 2 0 260.385 2.124 20 30 CEEDRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccc(OC)cc2)C1 ZINC000264118553 371973756 /nfs/dbraw/zinc/97/37/56/371973756.db2.gz UAGIJDAFIVAKLY-ZDUSSCGKSA-N 2 0 290.411 2.154 20 30 CEEDRP C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CC[NH+](CC)CC)C1 ZINC000641770692 372713438 /nfs/dbraw/zinc/71/34/38/372713438.db2.gz ZUOHIHHIEZSJNS-BZUAXINKSA-N 2 0 268.445 2.414 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367204957 373141259 /nfs/dbraw/zinc/14/12/59/373141259.db2.gz FTDXCODLICDYCF-SDKNFDLMSA-N 2 0 264.413 2.182 20 30 CEEDRP N#Cc1ccc([C@H](O)C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000370557014 373683540 /nfs/dbraw/zinc/68/35/40/373683540.db2.gz JCJGIUJGZNGKAG-QGZVFWFLSA-N 2 0 296.374 2.194 20 30 CEEDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399020102 375354465 /nfs/dbraw/zinc/35/44/65/375354465.db2.gz DSDPURPWPGVSAR-CJNGLKHVSA-N 2 0 257.381 2.182 20 30 CEEDRP C=CC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)C1CC1 ZINC000420372657 376683763 /nfs/dbraw/zinc/68/37/63/376683763.db2.gz LQNZVEKULRDCST-CQSZACIVSA-N 2 0 260.381 2.388 20 30 CEEDRP N#Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423105554 376998341 /nfs/dbraw/zinc/99/83/41/376998341.db2.gz QSSXNZONJHGZDV-HOTGVXAUSA-N 2 0 257.381 2.208 20 30 CEEDRP C#CCOc1ccc(C[NH2+]CCCC[NH+](C)C)cc1 ZINC000264933499 190146302 /nfs/dbraw/zinc/14/63/02/190146302.db2.gz BVNZVXUYPZATHZ-UHFFFAOYSA-N 2 0 260.381 2.130 20 30 CEEDRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449075997 378197159 /nfs/dbraw/zinc/19/71/59/378197159.db2.gz GCINBGSYEVQBKE-GTPINHCMSA-N 2 0 292.471 2.074 20 30 CEEDRP C=CCOCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000555337538 380822930 /nfs/dbraw/zinc/82/29/30/380822930.db2.gz SLNYCYJGFVQCER-UHFFFAOYSA-N 2 0 254.418 2.241 20 30 CEEDRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])ccc1C#N ZINC000415013823 394849474 /nfs/dbraw/zinc/84/94/74/394849474.db2.gz LEFVKMWCKTZSPM-GFCCVEGCSA-N 2 0 261.369 2.174 20 30 CEEDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339011651 394936713 /nfs/dbraw/zinc/93/67/13/394936713.db2.gz VUWZWBXIDIWZSI-PMPSAXMXSA-N 2 0 261.413 2.342 20 30 CEEDRP N#Cc1ccc(N2CCC([NH2+][C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423506065 394939105 /nfs/dbraw/zinc/93/91/05/394939105.db2.gz LXOQEOXNAOOOMS-WBVHZDCISA-N 2 0 298.434 2.244 20 30 CEEDRP C=CCOCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000339079841 394941052 /nfs/dbraw/zinc/94/10/52/394941052.db2.gz FHKMROJCHORVHW-UHFFFAOYSA-N 2 0 296.455 2.013 20 30 CEEDRP C#C[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289081217 395070436 /nfs/dbraw/zinc/07/04/36/395070436.db2.gz AXWIULYJSFKMTF-OAHLLOKOSA-N 2 0 285.435 2.328 20 30 CEEDRP C#Cc1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000289971106 395092560 /nfs/dbraw/zinc/09/25/60/395092560.db2.gz BRVZKUOTDGWWBI-UHFFFAOYSA-N 2 0 299.462 2.031 20 30 CEEDRP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)CCC#N)CC2)CC1 ZINC000567986602 395543828 /nfs/dbraw/zinc/54/38/28/395543828.db2.gz YGWAEULLOXPZCH-MRXNPFEDSA-N 2 0 292.471 2.169 20 30 CEEDRP C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000569307016 395576074 /nfs/dbraw/zinc/57/60/74/395576074.db2.gz SBGUNLJJXCIAMS-CVEARBPZSA-N 2 0 284.363 2.009 20 30 CEEDRP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C#N ZINC000191228901 153165831 /nfs/dbraw/zinc/16/58/31/153165831.db2.gz PWBXZWMYXLSVFN-UHFFFAOYSA-N 2 0 286.423 2.205 20 30 CEEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](CCC[NH3+])COC ZINC000665229904 415631339 /nfs/dbraw/zinc/63/13/39/415631339.db2.gz GCODKTXIXQRCPP-RBSFLKMASA-N 2 0 254.418 2.465 20 30 CEEDRP C=CC[C@@]1(C(=O)Nc2cccc(C[NH2+]C)c2)CCC[NH2+]1 ZINC000662399495 415822902 /nfs/dbraw/zinc/82/29/02/415822902.db2.gz OXAHNYVHPKVLQZ-INIZCTEOSA-N 2 0 273.380 2.043 20 30 CEEDRP C=CCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414903168 263111168 /nfs/dbraw/zinc/11/11/68/263111168.db2.gz HZDYZZFWJKDYDF-OAHLLOKOSA-N 2 0 260.381 2.483 20 30 CEEDRP C=CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000414960492 263164664 /nfs/dbraw/zinc/16/46/64/263164664.db2.gz QVWQPZYPUNQGPN-CJNGLKHVSA-N 2 0 260.381 2.339 20 30 CEEDRP C=CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414965019 263168970 /nfs/dbraw/zinc/16/89/70/263168970.db2.gz VMBXUWHVCVHCOY-XJKSGUPXSA-N 2 0 260.381 2.339 20 30 CEEDRP CC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423422863 267222051 /nfs/dbraw/zinc/22/20/51/267222051.db2.gz ZILXJHNEISALAM-DLBZAZTESA-N 2 0 287.407 2.368 20 30 CEEDRP CCc1cccc(NC(=[NH2+])NCC2=CC[N@H+](C)CC2)c1 ZINC000271840294 328197815 /nfs/dbraw/zinc/19/78/15/328197815.db2.gz SUPISTJXQRHTER-UHFFFAOYSA-N 2 0 272.396 2.238 20 30 CEEDRP C=C(C)C[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369155874 328943687 /nfs/dbraw/zinc/94/36/87/328943687.db2.gz MYBCOCRUTQXVAD-UHFFFAOYSA-N 2 0 265.445 2.055 20 30 CEEDRP C=CCC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000378255289 329044198 /nfs/dbraw/zinc/04/41/98/329044198.db2.gz WCLJDMQPZIZRFT-SJLPKXTDSA-N 2 0 291.483 2.489 20 30 CEEDRP [NH2+]=C(Nc1ccccc1)NC1CC([NH+]2CCCCC2)C1 ZINC000262371292 330011270 /nfs/dbraw/zinc/01/12/70/330011270.db2.gz MBXJYPOWSDUQNA-UHFFFAOYSA-N 2 0 272.396 2.430 20 30 CEEDRP CC[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)NC1CC1 ZINC000263111271 330044192 /nfs/dbraw/zinc/04/41/92/330044192.db2.gz DRPJMBOHWBUSAM-ZDUSSCGKSA-N 2 0 280.460 2.214 20 30 CEEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422981372 330162634 /nfs/dbraw/zinc/16/26/34/330162634.db2.gz SLMWZEFNJIXNFP-GOEBONIOSA-N 2 0 265.445 2.147 20 30 CEEDRP C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423095700 330169803 /nfs/dbraw/zinc/16/98/03/330169803.db2.gz MZVZKZRFTBQEEB-YJNKXOJESA-N 2 0 252.402 2.088 20 30 CEEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000429699392 330552615 /nfs/dbraw/zinc/55/26/15/330552615.db2.gz PYRJAQRSSHYPGJ-HZPDHXFCSA-N 2 0 291.439 2.255 20 30 CEEDRP CCNC(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)=[NH+]CC ZINC000195164995 331139193 /nfs/dbraw/zinc/13/91/93/331139193.db2.gz WSTWXJQUGCTGDP-INIZCTEOSA-N 2 0 288.439 2.084 20 30 CEEDRP C=CC(C)(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530207211 333528111 /nfs/dbraw/zinc/52/81/11/333528111.db2.gz CHQQUWVHUNGVHV-RRFJBIMHSA-N 2 0 266.429 2.335 20 30 CEEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174349817 335153203 /nfs/dbraw/zinc/15/32/03/335153203.db2.gz VRXAEQSWPDOVSF-INIZCTEOSA-N 2 0 294.487 2.180 20 30 CEEDRP CC(C)(CCC#N)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000174374949 335153500 /nfs/dbraw/zinc/15/35/00/335153500.db2.gz BUIQPLMSXVLTKQ-OAHLLOKOSA-N 2 0 281.444 2.143 20 30 CEEDRP CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)cc1 ZINC000729682255 574490588 /nfs/dbraw/zinc/49/05/88/574490588.db2.gz YMULGUVBMKHGFT-INIZCTEOSA-N 2 0 298.434 2.363 20 30 CEEDRP CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)cc1 ZINC000729682256 574490765 /nfs/dbraw/zinc/49/07/65/574490765.db2.gz YMULGUVBMKHGFT-MRXNPFEDSA-N 2 0 298.434 2.363 20 30 CEEDRP C=C(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000963158451 613347197 /nfs/dbraw/zinc/34/71/97/613347197.db2.gz YNAMDRWXKXOQAK-GPANFISMSA-N 2 0 293.455 2.016 20 30 CEEDRP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000981269556 613860305 /nfs/dbraw/zinc/86/03/05/613860305.db2.gz BMAHOFAZXQCONB-HUUCEWRRSA-N 2 0 293.455 2.064 20 30 CEEDRP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000981197827 613873662 /nfs/dbraw/zinc/87/36/62/613873662.db2.gz CLBLQMWHJTYKOH-GJZGRUSLSA-N 2 0 298.390 2.151 20 30 CEEDRP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000304758971 623298347 /nfs/dbraw/zinc/29/83/47/623298347.db2.gz QSKOPZBKEXVRPR-INIZCTEOSA-N 2 0 288.439 2.211 20 30 CEEDRP C=C(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000926550731 625034971 /nfs/dbraw/zinc/03/49/71/625034971.db2.gz NQENICJSTBHPON-GOOCMWNKSA-N 2 0 252.402 2.184 20 30 CEEDRP C#CCN(C)CCC[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000820846109 634548815 /nfs/dbraw/zinc/54/88/15/634548815.db2.gz CLLYSBJECAOCDW-CQSZACIVSA-N 2 0 262.372 2.474 20 30 CEEDRP CC(C)NC(=[NH2+])NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000104160654 628630360 /nfs/dbraw/zinc/63/03/60/628630360.db2.gz VFKQMWKETXBSKI-CQSZACIVSA-N 2 0 268.449 2.200 20 30 CEEDRP C[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C#N)c1 ZINC000925793751 628839591 /nfs/dbraw/zinc/83/95/91/628839591.db2.gz AZESDOYCJHZIKC-DVOMOZLQSA-N 2 0 257.381 2.454 20 30 CEEDRP CC[C@H](C)NC(=[NH2+])NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000261695349 629088469 /nfs/dbraw/zinc/08/84/69/629088469.db2.gz BUKOWGVKUKOAEZ-OLZOCXBDSA-N 2 0 268.449 2.200 20 30 CEEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1 ZINC000303907633 631093679 /nfs/dbraw/zinc/09/36/79/631093679.db2.gz WZSKRSQQYAQVJX-LSDHHAIUSA-N 2 0 282.476 2.447 20 30 CEEDRP CC[N@H+](CCNC(=[NH2+])Nc1cccc(OC)c1)C(C)C ZINC000303973688 631095011 /nfs/dbraw/zinc/09/50/11/631095011.db2.gz HAJHENGRKSUTHK-UHFFFAOYSA-N 2 0 278.400 2.152 20 30 CEEDRP C=CCOc1cccc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000904420936 635632627 /nfs/dbraw/zinc/63/26/27/635632627.db2.gz JGEXJVBWHUJDEK-JKSUJKDBSA-N 2 0 272.392 2.293 20 30 CEEDRP C#Cc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000809547008 632096614 /nfs/dbraw/zinc/09/66/14/632096614.db2.gz IVKTUOGCJDFBSQ-QGZVFWFLSA-N 2 0 256.393 2.442 20 30 CEEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000817971810 633814957 /nfs/dbraw/zinc/81/49/57/633814957.db2.gz QEZCZVDALYAUAW-KEYYUXOJSA-N 2 0 272.392 2.347 20 30 CEEDRP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(OCC#N)cc1 ZINC000817984067 633826760 /nfs/dbraw/zinc/82/67/60/633826760.db2.gz MLPNHWYWXNSKIY-ZDUSSCGKSA-N 2 0 273.380 2.382 20 30 CEEDRP C=CCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903129210 634983463 /nfs/dbraw/zinc/98/34/63/634983463.db2.gz FTPGYRLEJWCHQP-VHRNVKJDSA-N 2 0 264.413 2.327 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903792929 635263764 /nfs/dbraw/zinc/26/37/64/635263764.db2.gz KAKIUBRBRTZMCE-KRWDZBQOSA-N 2 0 288.435 2.306 20 30 CEEDRP C=C(CC)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825221287 635592634 /nfs/dbraw/zinc/59/26/34/635592634.db2.gz ICCQXYQEHCTRBR-UHFFFAOYSA-N 2 0 273.424 2.494 20 30 CEEDRP C#CCC[N@@H+](CCOC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000827823457 636434652 /nfs/dbraw/zinc/43/46/52/636434652.db2.gz PMZNBESQBGQUGC-UHFFFAOYSA-N 2 0 298.390 2.047 20 30 CEEDRP C#CC1CC[NH+](CCC[NH+]2CCC(C#C)CC2)CC1 ZINC000830345806 637043498 /nfs/dbraw/zinc/04/34/98/637043498.db2.gz UEZHFVFTIFCCNP-UHFFFAOYSA-N 2 0 258.409 2.067 20 30 CEEDRP C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1[C@@H](C)C[NH+](C)C ZINC000912804079 639025504 /nfs/dbraw/zinc/02/55/04/639025504.db2.gz WSHCWBGBYWMMPS-HOTGVXAUSA-N 2 0 295.471 2.073 20 30 CEEDRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCC[NH+]1CCCC1 ZINC000170907770 639683765 /nfs/dbraw/zinc/68/37/65/639683765.db2.gz OZZVZBDNCOPBGJ-CQSZACIVSA-N 2 0 268.449 2.201 20 30 CEEDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(C#N)c2)CC1 ZINC000087824043 639760572 /nfs/dbraw/zinc/76/05/72/639760572.db2.gz UMNZZONXBSQDIT-UHFFFAOYSA-N 2 0 287.407 2.388 20 30 CEEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000848563890 642055552 /nfs/dbraw/zinc/05/55/52/642055552.db2.gz YPKRDVBZRNRFKS-BMFZPTHFSA-N 2 0 287.407 2.407 20 30 CEEDRP C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000848923478 642195573 /nfs/dbraw/zinc/19/55/73/642195573.db2.gz LPZVKEAQZIDINK-MRXNPFEDSA-N 2 0 286.419 2.472 20 30 CEEDRP C=CCC[C@H](O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000923391269 643690773 /nfs/dbraw/zinc/69/07/73/643690773.db2.gz XFOKLDDDNBWHEI-HOTGVXAUSA-N 2 0 266.429 2.025 20 30 CEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000865411293 647280694 /nfs/dbraw/zinc/28/06/94/647280694.db2.gz AEKQWKUPTVHMAK-OAHLLOKOSA-N 2 0 298.434 2.198 20 30 CEEDRP CN(C)c1ccc(C#N)cc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000865449775 647299304 /nfs/dbraw/zinc/29/93/04/647299304.db2.gz FGGVSZGEKKLCMZ-UHFFFAOYSA-N 2 0 286.423 2.056 20 30 CEEDRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)[C@H]2CCC[C@@H]21 ZINC000866617585 647844314 /nfs/dbraw/zinc/84/43/14/647844314.db2.gz LTTKQRLGZDCDJL-YRXWBPOGSA-N 2 0 295.430 2.488 20 30 CEEDRP C[NH+](C)C1(C)CCC(N=NCC[NH+]2CCCCC2)CC1 ZINC000872344424 649361213 /nfs/dbraw/zinc/36/12/13/649361213.db2.gz UUEQOINMHGQYPG-UHFFFAOYSA-N 2 0 280.460 2.312 20 30 CEEDRP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873290590 649629015 /nfs/dbraw/zinc/62/90/15/649629015.db2.gz ALXYBIMYWCCYJU-KGLIPLIRSA-N 2 0 252.402 2.089 20 30 CEEDRP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873292533 649630301 /nfs/dbraw/zinc/63/03/01/649630301.db2.gz SXJOMXXPCMJXLL-KKUMJFAQSA-N 2 0 266.429 2.335 20 30 CEEDRP