smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[NH+]1CCN(c2cc(C#N)cc(Cl)n2)CC1 ZINC000122770944 719328350 /nfs/dbraw/zinc/32/83/50/719328350.db2.gz BPXGFVKFPFOKDS-UHFFFAOYSA-N 1 0 278.787 2.385 10 30 CEEERO C=CC[N@@H+]1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@H]21 ZINC000096092303 185095633 /nfs/dbraw/zinc/09/56/33/185095633.db2.gz RFSPAACZBLOUDH-OAGGEKHMSA-N 1 0 274.364 2.016 10 30 CEEERO C#CC[NH2+]Cc1cc(Br)ccc1OC ZINC000036804206 361859985 /nfs/dbraw/zinc/85/99/85/361859985.db2.gz YHFWAMYOQWNZRC-UHFFFAOYSA-N 1 0 254.127 2.181 10 30 CEEERO CC1CCC(NC(=O)c2sccc2C#CC[NH3+])CC1 ZINC000097030523 185154973 /nfs/dbraw/zinc/15/49/73/185154973.db2.gz ZEGHMUXRIPZRGC-UHFFFAOYSA-N 1 0 276.405 2.367 10 30 CEEERO N#Cc1cc(F)c(N2CCC(OCCC[NH3+])CC2)c(F)c1 ZINC000127068915 365730769 /nfs/dbraw/zinc/73/07/69/365730769.db2.gz XNNABUXQQKTEON-UHFFFAOYSA-N 1 0 295.333 2.171 10 30 CEEERO C#CC[N@@H+](CCC)[C@@H]1COc2c(cccc2OC)C1 ZINC000038600308 343434260 /nfs/dbraw/zinc/43/42/60/343434260.db2.gz JHYWERUDKHLBRS-AWEZNQCLSA-N 1 0 259.349 2.344 10 30 CEEERO C#CC[NH+]1CCC(c2ccc(C(=O)OC)cc2)CC1 ZINC000113033344 344276327 /nfs/dbraw/zinc/27/63/27/344276327.db2.gz LTBZXGSUELIMPU-UHFFFAOYSA-N 1 0 257.333 2.286 10 30 CEEERO Cc1cc(C#N)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000165496217 344474496 /nfs/dbraw/zinc/47/44/96/344474496.db2.gz ADKWPKIWAZJPEH-MRXNPFEDSA-N 1 0 255.365 2.147 10 30 CEEERO CC[NH+]1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1 ZINC000208795956 344529892 /nfs/dbraw/zinc/52/98/92/344529892.db2.gz GPNWYSNUEHEOSX-UHFFFAOYSA-N 1 0 287.483 2.452 10 30 CEEERO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000050163777 362407291 /nfs/dbraw/zinc/40/72/91/362407291.db2.gz QNNANMDKWKBDFL-QWHCGFSZSA-N 1 0 258.369 2.370 10 30 CEEERO CN(C)c1ccc(/C=[N+](\O)[C@]2(C)CCCCC2=O)cc1 ZINC000225397791 344545250 /nfs/dbraw/zinc/54/52/50/344545250.db2.gz UHVVXFXCJJHMLP-MRXNPFEDSA-N 1 0 275.372 2.475 10 30 CEEERO CCc1nnc(N2CC[C@@H]([NH3+])[C@@H](CC)C2)c(C#N)c1CC ZINC000226039363 344548615 /nfs/dbraw/zinc/54/86/15/344548615.db2.gz QZLUPBHXZQTQHC-SMDDNHRTSA-N 1 0 287.411 2.037 10 30 CEEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)c(F)c1 ZINC000052759561 362472569 /nfs/dbraw/zinc/47/25/69/362472569.db2.gz WNSANQANSFWLFL-CQSZACIVSA-N 1 0 262.328 2.434 10 30 CEEERO O=C1C=C(N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000307042097 344719612 /nfs/dbraw/zinc/71/96/12/344719612.db2.gz ARPPKNIWPMEUKY-HNNXBMFYSA-N 1 0 256.349 2.097 10 30 CEEERO Cc1cc(C)c(C#N)c(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000313032821 344740801 /nfs/dbraw/zinc/74/08/01/344740801.db2.gz QHQHUQUMZQSZKM-BBRMVZONSA-N 1 0 270.380 2.135 10 30 CEEERO C=CC[NH2+]CCC/C=C/I ZINC000584609998 344964243 /nfs/dbraw/zinc/96/42/43/344964243.db2.gz AVMGRFWTOHTJNC-GQCTYLIASA-N 1 0 251.111 2.491 10 30 CEEERO CCC[NH2+]CCNc1nc2c(cc1C#N)CCCC2 ZINC000054267410 362521749 /nfs/dbraw/zinc/52/17/49/362521749.db2.gz KPEUYJCKJXUGCN-UHFFFAOYSA-N 1 0 258.369 2.244 10 30 CEEERO N#Cc1cc2c(nc1NCC[C@H]1CC[NH2+]C1)CCCC2 ZINC000110797960 232197531 /nfs/dbraw/zinc/19/75/31/232197531.db2.gz JCERULPZDKURFT-GFCCVEGCSA-N 1 0 270.380 2.244 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085364278 179035178 /nfs/dbraw/zinc/03/51/78/179035178.db2.gz IWPOPBJKZSNFPQ-ZYHUDNBSSA-N 1 0 261.300 2.072 10 30 CEEERO N#Cc1cc(NCC[C@@H]([NH3+])Cc2ccccc2)ccn1 ZINC000600961560 346719946 /nfs/dbraw/zinc/71/99/46/346719946.db2.gz SNRFNMODBMCPEK-CQSZACIVSA-N 1 0 266.348 2.325 10 30 CEEERO C[C@H]1C[C@H]([NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000600962818 346720577 /nfs/dbraw/zinc/72/05/77/346720577.db2.gz NDQFABYJTMSPBU-JQWIXIFHSA-N 1 0 252.321 2.032 10 30 CEEERO Cc1nccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000086037316 179221808 /nfs/dbraw/zinc/22/18/08/179221808.db2.gz JEEVQKARSQGKGN-UHFFFAOYSA-N 1 0 278.359 2.499 10 30 CEEERO CCCCCCC[C@@H](C(=O)OCC)N1CC[NH2+]CC1 ZINC000103082989 185806913 /nfs/dbraw/zinc/80/69/13/185806913.db2.gz RVHUNBQWXCIYBH-AWEZNQCLSA-N 1 0 270.417 2.184 10 30 CEEERO Cc1nc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ccc1C#N ZINC000336836469 365905739 /nfs/dbraw/zinc/90/57/39/365905739.db2.gz KVRJHRNSJPERIC-SWLSCSKDSA-N 1 0 270.380 2.325 10 30 CEEERO C#CC(C)(C)N1CCC[NH2+][C@H](Cc2ccccc2)C1 ZINC000086298875 179269158 /nfs/dbraw/zinc/26/91/58/179269158.db2.gz SYIGFBAUAANERD-MRXNPFEDSA-N 1 0 256.393 2.305 10 30 CEEERO COc1ccc([C@H](C#N)NCC[NH+](C)C)cc1Cl ZINC000086595317 179310673 /nfs/dbraw/zinc/31/06/73/179310673.db2.gz JWODOXRPUMNPJS-LBPRGKRZSA-N 1 0 267.760 2.064 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)NCCc1cccs1 ZINC000087747790 179480941 /nfs/dbraw/zinc/48/09/41/179480941.db2.gz IGFHAKIZACNMRV-UHFFFAOYSA-N 1 0 298.411 2.339 10 30 CEEERO COc1ccc(COC[C@H]2CCCC[NH2+]2)cc1C#N ZINC000087832288 179496232 /nfs/dbraw/zinc/49/62/32/179496232.db2.gz SDRIESTUMAMCTM-CQSZACIVSA-N 1 0 260.337 2.226 10 30 CEEERO CC[C@H](C#N)N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090977021 180078861 /nfs/dbraw/zinc/07/88/61/180078861.db2.gz XJEKRYNLXSZPAN-JKSUJKDBSA-N 1 0 269.392 2.246 10 30 CEEERO CC(C)[NH2+]Cc1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091003733 180083993 /nfs/dbraw/zinc/08/39/93/180083993.db2.gz HPTSUHZYEKILKW-UHFFFAOYSA-N 1 0 254.337 2.301 10 30 CEEERO CCc1ccc(C(=O)NCc2ccccc2C#CC[NH3+])o1 ZINC000091775637 180251798 /nfs/dbraw/zinc/25/17/98/180251798.db2.gz MHYSEXKCHYNHRH-UHFFFAOYSA-N 1 0 282.343 2.082 10 30 CEEERO CC[NH2+][C@H](C)c1cccn1Cc1cccnc1C#N ZINC000091801439 180259497 /nfs/dbraw/zinc/25/94/97/180259497.db2.gz PXQYTUOMSMKSRF-GFCCVEGCSA-N 1 0 254.337 2.474 10 30 CEEERO CCN(CC)C(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000091962376 180293152 /nfs/dbraw/zinc/29/31/52/180293152.db2.gz CIKGAPOFFHXCQK-ZDUSSCGKSA-N 1 0 273.380 2.109 10 30 CEEERO C[C@](O)([C@H]1CCC[NH2+]C1)[C@]1(C#N)CCc2ccccc2C1 ZINC000091879199 180279379 /nfs/dbraw/zinc/27/93/79/180279379.db2.gz NDUVYSIFRVHJBD-OKZBNKHCSA-N 1 0 284.403 2.436 10 30 CEEERO C=C(C)C[NH+]1CCN(Cc2c(CC)nn(C)c2Cl)CC1 ZINC000106159586 186103672 /nfs/dbraw/zinc/10/36/72/186103672.db2.gz QRVOTBPAOKCOHU-UHFFFAOYSA-N 1 0 296.846 2.330 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2ccc(OC)c(C)c2)c1N ZINC000106832572 186137560 /nfs/dbraw/zinc/13/75/60/186137560.db2.gz HKAUPAFEEHNQSG-UHFFFAOYSA-N 1 0 255.321 2.391 10 30 CEEERO CCCN(c1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000110948171 186335779 /nfs/dbraw/zinc/33/57/79/186335779.db2.gz NLTXCIKQPQOHQE-ZDUSSCGKSA-N 1 0 288.351 2.435 10 30 CEEERO N#CCc1nc2ccccc2n1[C@@H](C[NH3+])c1ccco1 ZINC000110951783 186336712 /nfs/dbraw/zinc/33/67/12/186336712.db2.gz DZBYWJAAFDBZNN-ZDUSSCGKSA-N 1 0 266.304 2.243 10 30 CEEERO [NH3+]CC#Cc1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111102429 186352600 /nfs/dbraw/zinc/35/26/00/186352600.db2.gz HUYVKUWFDZUCLI-UXLLHSPISA-N 1 0 282.387 2.163 10 30 CEEERO CN(CCC[NH+](C)C)c1nc2c(cc1C#N)CCCC2 ZINC000111138234 186357283 /nfs/dbraw/zinc/35/72/83/186357283.db2.gz PUYARAIJUHFXBQ-UHFFFAOYSA-N 1 0 272.396 2.220 10 30 CEEERO C[N@@H+](Cc1ccc(F)cc1C#CCO)C[C@H]1CCCOC1 ZINC000111168282 186364537 /nfs/dbraw/zinc/36/45/37/186364537.db2.gz UXUGXOJMHKYYBO-CQSZACIVSA-N 1 0 291.366 2.028 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267957 186382593 /nfs/dbraw/zinc/38/25/93/186382593.db2.gz HSSCFQYYDKRDAX-BBRMVZONSA-N 1 0 288.391 2.065 10 30 CEEERO C[C@H](CC(=O)Nc1cccc(C#CC[NH3+])n1)C(C)(C)C ZINC000111653404 186437168 /nfs/dbraw/zinc/43/71/68/186437168.db2.gz SOVHUSIJEUXITM-GFCCVEGCSA-N 1 0 273.380 2.403 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000118895295 186788434 /nfs/dbraw/zinc/78/84/34/186788434.db2.gz YRJVQIWEIFPUJN-MNOVXSKESA-N 1 0 260.297 2.148 10 30 CEEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ncc(F)cn1 ZINC000072432151 363136352 /nfs/dbraw/zinc/13/63/52/363136352.db2.gz MEFAKQHNFHZGJU-AWEZNQCLSA-N 1 0 295.358 2.052 10 30 CEEERO CC#CCC[NH+]1CCN(c2nc3ccccc3o2)CC1 ZINC000155446546 188206744 /nfs/dbraw/zinc/20/67/44/188206744.db2.gz MXWWZFXFYQEQFR-UHFFFAOYSA-N 1 0 269.348 2.363 10 30 CEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000132305341 366133405 /nfs/dbraw/zinc/13/34/05/366133405.db2.gz AOUQOTYJJDIDNJ-UONOGXRCSA-N 1 0 298.427 2.303 10 30 CEEERO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000133536849 366234374 /nfs/dbraw/zinc/23/43/74/366234374.db2.gz ZWHSHYDGMNVFJT-UKRRQHHQSA-N 1 0 262.397 2.450 10 30 CEEERO N#Cc1cc(F)c(N2CC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261598672 283097347 /nfs/dbraw/zinc/09/73/47/283097347.db2.gz PEUSMPNRWVWTKQ-AWEZNQCLSA-N 1 0 263.291 2.026 10 30 CEEERO N#Cc1ccc(N2CCC[C@H]([NH3+])C2)c(Br)c1 ZINC000169222407 283159172 /nfs/dbraw/zinc/15/91/72/283159172.db2.gz ZGFBRPFIUBZUPT-JTQLQIEISA-N 1 0 280.169 2.248 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)c2cc(C#N)cs2)[C@@H](C)C1 ZINC000177140300 189031627 /nfs/dbraw/zinc/03/16/27/189031627.db2.gz IJPOYWPZPGMLLN-JQWIXIFHSA-N 1 0 277.393 2.078 10 30 CEEERO C#CCCOc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179548625 189201899 /nfs/dbraw/zinc/20/18/99/189201899.db2.gz FXDWMCUAQHTRCH-QGZVFWFLSA-N 1 0 284.403 2.369 10 30 CEEERO CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2[nH]c(C#N)cc21 ZINC000001656891 361215370 /nfs/dbraw/zinc/21/53/70/361215370.db2.gz QXIUMMLTJVHILT-GFCCVEGCSA-N 1 0 287.363 2.167 10 30 in-vitro CEEERO C[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181559981 189300027 /nfs/dbraw/zinc/30/00/27/189300027.db2.gz XUBYKWGFRLFNPK-PBHICJAKSA-N 1 0 287.407 2.056 10 30 CEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000111638627 364748405 /nfs/dbraw/zinc/74/84/05/364748405.db2.gz AZAAUVCTAROVKG-NXEZZACHSA-N 1 0 250.264 2.237 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2ccccc2c1C#N ZINC000113271662 364882319 /nfs/dbraw/zinc/88/23/19/364882319.db2.gz MYFVPKYKAAOQBS-GDBMZVCRSA-N 1 0 294.402 2.479 10 30 CEEERO N#Cc1cc(F)c(NC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000116626884 365064180 /nfs/dbraw/zinc/06/41/80/365064180.db2.gz YEFHICMCAFZPLY-SNVBAGLBSA-N 1 0 251.280 2.390 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000638875281 370813615 /nfs/dbraw/zinc/81/36/15/370813615.db2.gz RECCCSNCJFVSOI-STQMWFEESA-N 1 0 252.402 2.483 10 30 CEEERO C=CCC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)C1CC1 ZINC000119994034 365356937 /nfs/dbraw/zinc/35/69/37/365356937.db2.gz NXJQXARQAXXUMO-HIFRSBDPSA-N 1 0 252.402 2.042 10 30 CEEERO C=CC[N@H+]1CC[C@@]23c4c5cccc4C[C@@H]1[C@@H]2CC[C@@H](O)[C@@H]3O5 ZINC000169320074 367367845 /nfs/dbraw/zinc/36/78/45/367367845.db2.gz UQHMADSHOZZBSR-KPHNSTPASA-N 1 0 297.398 2.273 10 30 CEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245939488 370891479 /nfs/dbraw/zinc/89/14/79/370891479.db2.gz UOHKPAFKTXWBFI-KBPBESRZSA-N 1 0 265.401 2.221 10 30 CEEERO C=CCSCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246479011 370966378 /nfs/dbraw/zinc/96/63/78/370966378.db2.gz VRNLQVFMYRHYLN-KGLIPLIRSA-N 1 0 297.468 2.174 10 30 CEEERO C=CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190617194 369639127 /nfs/dbraw/zinc/63/91/27/369639127.db2.gz XXVSZKKXEORMJW-INIZCTEOSA-N 1 0 287.407 2.328 10 30 CEEERO CCCC(=O)N[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191981907 369759384 /nfs/dbraw/zinc/75/93/84/369759384.db2.gz NUPGCQPJFLBWTQ-KRWDZBQOSA-N 1 0 284.403 2.419 10 30 CEEERO C[C@H]1CC(C[NH2+]Cc2nc(C#N)cs2)C[C@H](C)O1 ZINC000352893377 369937011 /nfs/dbraw/zinc/93/70/11/369937011.db2.gz LNKOXSNXMMRFNK-UWVGGRQHSA-N 1 0 265.382 2.308 10 30 CEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c(F)c1 ZINC000227597799 370374255 /nfs/dbraw/zinc/37/42/55/370374255.db2.gz RIJSKROUPSWSGS-UKRRQHHQSA-N 1 0 262.328 2.338 10 30 CEEERO COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2O)ccc1C#N ZINC000234952160 370551030 /nfs/dbraw/zinc/55/10/30/370551030.db2.gz KWBAHVBBUDHENL-GJZGRUSLSA-N 1 0 274.364 2.350 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(C#N)cc1 ZINC000246895112 371027697 /nfs/dbraw/zinc/02/76/97/371027697.db2.gz HBRFFPOFIAGXMA-SJORKVTESA-N 1 0 297.402 2.186 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000246922400 371032139 /nfs/dbraw/zinc/03/21/39/371032139.db2.gz YMCYONLLLIRLDP-HEHGZKQESA-N 1 0 297.345 2.400 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000247406629 371104897 /nfs/dbraw/zinc/10/48/97/371104897.db2.gz PVKFQEWTDCUKCK-WFASDCNBSA-N 1 0 273.355 2.366 10 30 CEEERO C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000235633378 189828996 /nfs/dbraw/zinc/82/89/96/189828996.db2.gz BJNUCQAYOUGMQI-SMDDNHRTSA-N 1 0 272.352 2.149 10 30 CEEERO C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1[NH+](C)C ZINC000251876071 371421503 /nfs/dbraw/zinc/42/15/03/371421503.db2.gz UKIZQEXOWXIRTR-IAQYHMDHSA-N 1 0 261.344 2.079 10 30 CEEERO Cc1nc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261643279 371690556 /nfs/dbraw/zinc/69/05/56/371690556.db2.gz XDLKPPQDYVFQHC-KOLCDFICSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382457361 375186294 /nfs/dbraw/zinc/18/62/94/375186294.db2.gz RSLKPPMFHYGDAK-WDEREUQCSA-N 1 0 267.336 2.041 10 30 CEEERO CCc1nnc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(C#N)c1CC ZINC000382475866 375188054 /nfs/dbraw/zinc/18/80/54/375188054.db2.gz SUKONYGIUHYINE-GHMZBOCLSA-N 1 0 273.384 2.012 10 30 CEEERO CC1(C)C(NC(=O)c2sccc2C#CC[NH3+])C1(C)C ZINC000092832582 184629764 /nfs/dbraw/zinc/62/97/64/184629764.db2.gz BRLHKBKLUMLWKP-UHFFFAOYSA-N 1 0 276.405 2.223 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1ccc2ncccc2c1 ZINC000093375448 184668140 /nfs/dbraw/zinc/66/81/40/184668140.db2.gz LHAINANBDLCAEY-AWEZNQCLSA-N 1 0 252.321 2.092 10 30 CEEERO Cc1ncccc1C(=O)Nc1ccc(C#CC[NH3+])c(F)c1 ZINC000094649404 184835011 /nfs/dbraw/zinc/83/50/11/184835011.db2.gz QXRLKBZRZFUUCU-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccccc1C)n1ccnc1C#N ZINC000094936573 184896440 /nfs/dbraw/zinc/89/64/40/184896440.db2.gz OYLGNVNLTUWTKS-ZFWWWQNUSA-N 1 0 254.337 2.390 10 30 CEEERO C=CCOC[C@H](O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000036097792 394494630 /nfs/dbraw/zinc/49/46/30/394494630.db2.gz LPFMGLHYKNAONX-CQSZACIVSA-N 1 0 265.353 2.116 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000070174819 394586098 /nfs/dbraw/zinc/58/60/98/394586098.db2.gz VTIFTVSCDMJQKM-GXTWGEPZSA-N 1 0 284.407 2.396 10 30 CEEERO C[NH2+]CCC1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000308239719 394526099 /nfs/dbraw/zinc/52/60/99/394526099.db2.gz KXIHDJSZGNJHPP-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000048769489 394528864 /nfs/dbraw/zinc/52/88/64/394528864.db2.gz JIBKJAFTVNGVIW-CQSZACIVSA-N 1 0 272.352 2.164 10 30 CEEERO N#Cc1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000261578809 394603407 /nfs/dbraw/zinc/60/34/07/394603407.db2.gz PDBWECMNIJLRDW-RISCZKNCSA-N 1 0 261.756 2.400 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261755514 394607606 /nfs/dbraw/zinc/60/76/06/394607606.db2.gz UISDXQWZFOCMBX-CYBMUJFWSA-N 1 0 296.296 2.162 10 30 CEEERO COC[C@@]1(CNc2c(F)cc(C#N)cc2F)CCC[NH2+]1 ZINC000261654932 153801439 /nfs/dbraw/zinc/80/14/39/153801439.db2.gz DQHFNRZCVHCKDA-AWEZNQCLSA-N 1 0 281.306 2.017 10 30 CEEERO N#Cc1cc(Br)ccc1NC[C@H]1CCC[NH2+]1 ZINC000165300420 162344575 /nfs/dbraw/zinc/34/45/75/162344575.db2.gz VXPGLFSXKZFIBP-LLVKDONJSA-N 1 0 280.169 2.485 10 30 CEEERO COc1ccc2cc(C(C)=NNC(N)=[NH2+])ccc2c1 ZINC000007929812 170308184 /nfs/dbraw/zinc/30/81/84/170308184.db2.gz LLCOGTWADJOWEM-RQZCQDPDSA-N 1 0 256.309 2.055 10 30 CEEERO C[NH+](C)CCN[C@@H](C#N)c1ccc(Br)cc1 ZINC000020176263 171042479 /nfs/dbraw/zinc/04/24/79/171042479.db2.gz SDEUSIQBWVXFJC-LBPRGKRZSA-N 1 0 282.185 2.165 10 30 CEEERO C=CCN(Cc1cccc(Cl)c1)C(=O)CC[NH3+] ZINC000032107731 171698932 /nfs/dbraw/zinc/69/89/32/171698932.db2.gz NSSYCCBJBGIPQH-UHFFFAOYSA-N 1 0 252.745 2.203 10 30 CEEERO C#CC[NH+]1CCC(Nc2ccccc2COC)CC1 ZINC000037275019 173087419 /nfs/dbraw/zinc/08/74/19/173087419.db2.gz VKQZLTLNWQVTQE-UHFFFAOYSA-N 1 0 258.365 2.343 10 30 CEEERO CC[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000037386987 173170834 /nfs/dbraw/zinc/17/08/34/173170834.db2.gz MGGJQVRFGSVZIR-CYBMUJFWSA-N 1 0 259.353 2.321 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627573 174357066 /nfs/dbraw/zinc/35/70/66/174357066.db2.gz RQXQSCMKURYBMS-SNVBAGLBSA-N 1 0 264.394 2.017 10 30 CEEERO C[C@@H]1CC[C@H](C#N)[C@H](Sc2nc(N)cc(N)[nH+]2)C1 ZINC000041023676 174452914 /nfs/dbraw/zinc/45/29/14/174452914.db2.gz USZNLYIVXRBABF-IWSPIJDZSA-N 1 0 263.370 2.061 10 30 CEEERO C=CCC1(NC(=O)C[C@H]2CCC[NH2+]C2)CCCC1 ZINC000662889243 414789857 /nfs/dbraw/zinc/78/98/57/414789857.db2.gz UNWSCRXBWWSCJY-CYBMUJFWSA-N 1 0 250.386 2.381 10 30 CEEERO C=CCC1(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000662889292 414790527 /nfs/dbraw/zinc/79/05/27/414790527.db2.gz VWCRQGFAEMETBK-CHWSQXEVSA-N 1 0 250.386 2.367 10 30 CEEERO CC[NH2+][C@@H](C)c1cccc(NC(=O)N(CC#N)CC#N)c1 ZINC000041710103 174612319 /nfs/dbraw/zinc/61/23/19/174612319.db2.gz NHRSUYVQARJMRE-LBPRGKRZSA-N 1 0 285.351 2.238 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000043326534 175008323 /nfs/dbraw/zinc/00/83/23/175008323.db2.gz ZDQBPRKGCZLKSF-JTQLQIEISA-N 1 0 280.169 2.485 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350408 175019701 /nfs/dbraw/zinc/01/97/01/175019701.db2.gz OSIKLBGVARYLKD-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO CCOC1CC[NH+](Cc2ccc(C#CCO)s2)CC1 ZINC000043678040 175088978 /nfs/dbraw/zinc/08/89/78/175088978.db2.gz SFINVNAXHDAVLO-UHFFFAOYSA-N 1 0 279.405 2.093 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])s1)Cc1ccncc1 ZINC000043683739 175091806 /nfs/dbraw/zinc/09/18/06/175091806.db2.gz QBECSRBWZRJJEK-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO CN(Cc1cscn1)Cc1sccc1C#CC[NH3+] ZINC000043684272 175093138 /nfs/dbraw/zinc/09/31/38/175093138.db2.gz YEVVDHMIISHXTH-UHFFFAOYSA-N 1 0 277.418 2.147 10 30 CEEERO CC(C)[N@H+](CCCc1ccccc1)CC/C(N)=N/O ZINC000044414960 175173051 /nfs/dbraw/zinc/17/30/51/175173051.db2.gz IQHQJWUMFDMLRI-UHFFFAOYSA-N 1 0 263.385 2.466 10 30 CEEERO C[C@H](C[NH+]1CCCC1)NC(=O)C1(C#N)CCCCCC1 ZINC000044766522 175249440 /nfs/dbraw/zinc/24/94/40/175249440.db2.gz DZJUANPANLLAIE-CQSZACIVSA-N 1 0 277.412 2.451 10 30 CEEERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C#N)C(C)C ZINC000044810056 175257575 /nfs/dbraw/zinc/25/75/75/175257575.db2.gz XMPGIZDEBYIEGO-KBPBESRZSA-N 1 0 267.417 2.409 10 30 CEEERO CCCC(C#N)(CCC)C(=O)NCCC[NH+](C)C ZINC000044811470 175258140 /nfs/dbraw/zinc/25/81/40/175258140.db2.gz ZVPUVDMIIWPXRZ-UHFFFAOYSA-N 1 0 253.390 2.164 10 30 CEEERO CCCC(C#N)(CCC)C(=O)NC[C@@H](C)[NH+](C)C ZINC000045109500 175309544 /nfs/dbraw/zinc/30/95/44/175309544.db2.gz JHBFUFJZBTZCEO-GFCCVEGCSA-N 1 0 253.390 2.163 10 30 CEEERO CCC[NH+]1CCN(CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045306448 175355774 /nfs/dbraw/zinc/35/57/74/175355774.db2.gz XQGORJLFEKYHLH-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C ZINC000045310446 175356345 /nfs/dbraw/zinc/35/63/45/175356345.db2.gz KGXDAJQOXBFTIN-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CN1CCC([N@H+](C)CCCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045307923 175356572 /nfs/dbraw/zinc/35/65/72/175356572.db2.gz FMKQTLLYSGNUIF-QGZVFWFLSA-N 1 0 292.471 2.217 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](CC)C[C@@H]1CCCO1 ZINC000045315117 175357602 /nfs/dbraw/zinc/35/76/02/175357602.db2.gz RTZGCXPBRLFCMD-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C ZINC000045317528 175357713 /nfs/dbraw/zinc/35/77/13/175357713.db2.gz WDHBPLLIMWEVDI-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[NH+](CCOC)CCOC ZINC000045318613 175359485 /nfs/dbraw/zinc/35/94/85/175359485.db2.gz JPLNGROOWNYYRD-INIZCTEOSA-N 1 0 299.459 2.033 10 30 CEEERO C#CCOc1ccc(Cl)cc1C[NH2+]CCN(C)C ZINC000045946502 175387929 /nfs/dbraw/zinc/38/79/29/175387929.db2.gz FLMYGYGPWRPWLQ-UHFFFAOYSA-N 1 0 266.772 2.003 10 30 CEEERO CCCC1CCN(C(=O)c2cncc(C#CC[NH3+])c2)CC1 ZINC000050907106 175519904 /nfs/dbraw/zinc/51/99/04/175519904.db2.gz NPVKIEUKFQZMFB-UHFFFAOYSA-N 1 0 285.391 2.044 10 30 CEEERO C=CCN(CC=C)CC1(C[NH2+]C2CC2)CCOCC1 ZINC000052181533 175533618 /nfs/dbraw/zinc/53/36/18/175533618.db2.gz GZOPNXKTLAIUMP-UHFFFAOYSA-N 1 0 264.413 2.209 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H](C)C[NH2+]CC)cc1 ZINC000061235179 175643181 /nfs/dbraw/zinc/64/31/81/175643181.db2.gz NYXWMJDESQWXSQ-CQSZACIVSA-N 1 0 290.407 2.455 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000659329126 415519997 /nfs/dbraw/zinc/51/99/97/415519997.db2.gz LJMRYSUWLFBQKZ-AAVRWANBSA-N 1 0 250.386 2.093 10 30 CEEERO CC(C)[NH2+]C[C@H](C)CN(CCC#N)Cc1cccnc1 ZINC000070526026 175970656 /nfs/dbraw/zinc/97/06/56/175970656.db2.gz KPAUORKRWUALLO-HNNXBMFYSA-N 1 0 274.412 2.431 10 30 CEEERO C=CC[NH2+]C[C@H](C)Oc1cc(OC)cc(OC)c1 ZINC000071137792 176036249 /nfs/dbraw/zinc/03/62/49/176036249.db2.gz UZAVKRPNDCONJI-NSHDSACASA-N 1 0 251.326 2.247 10 30 CEEERO C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000071211005 176083480 /nfs/dbraw/zinc/08/34/80/176083480.db2.gz BTZDGBHXJDAJIQ-ABAIWWIYSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1cccc(F)c1)N(CCC#N)CCOC ZINC000071222591 176087968 /nfs/dbraw/zinc/08/79/68/176087968.db2.gz PLIABYCTWBLSBJ-JKSUJKDBSA-N 1 0 293.386 2.466 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCC#N)CCOC ZINC000071222677 176088091 /nfs/dbraw/zinc/08/80/91/176088091.db2.gz LSHFVUMDHZARJR-ZFWWWQNUSA-N 1 0 279.384 2.229 10 30 CEEERO C=CCCCOc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000071275066 176106284 /nfs/dbraw/zinc/10/62/84/176106284.db2.gz HSAKJXOWYWGBRJ-UHFFFAOYSA-N 1 0 293.363 2.496 10 30 CEEERO Cc1ccc(N2CCCCCC2=O)c(C#CC[NH3+])c1 ZINC000071278320 176107740 /nfs/dbraw/zinc/10/77/40/176107740.db2.gz KWANRROKOKPJRQ-UHFFFAOYSA-N 1 0 256.349 2.212 10 30 CEEERO N#CCCN(C(=O)CC[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400896 176153078 /nfs/dbraw/zinc/15/30/78/176153078.db2.gz XBHQFHINPNCXIM-HNNXBMFYSA-N 1 0 271.364 2.371 10 30 CEEERO COc1ccc(Cl)cc1C1(C#N)CC[NH2+]CC1 ZINC000071572827 176198746 /nfs/dbraw/zinc/19/87/46/176198746.db2.gz KBFAAUYXYCIUQX-UHFFFAOYSA-N 1 0 250.729 2.493 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1ccc(F)c(F)c1 ZINC000078595519 177357480 /nfs/dbraw/zinc/35/74/80/177357480.db2.gz CRTYBASBGVELIC-MNOVXSKESA-N 1 0 295.333 2.376 10 30 CEEERO C[NH+](C)[C@]1(CNC(=O)[C@]2(C)CCCNC2=O)CCSC1 ZINC000330303652 228120999 /nfs/dbraw/zinc/12/09/99/228120999.db2.gz JZMBMKCMYMEALU-KGLIPLIRSA-N 1 0 299.440 2.137 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000169107448 274239527 /nfs/dbraw/zinc/23/95/27/274239527.db2.gz LWYKXSVBWCUPAI-NXEZZACHSA-N 1 0 294.196 2.494 10 30 CEEERO Cc1cc(C)c(C#N)c(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000252847310 274683205 /nfs/dbraw/zinc/68/32/05/274683205.db2.gz FZHMTOUOTLBNES-QEJZJMRPSA-N 1 0 270.380 2.134 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261578994 274923064 /nfs/dbraw/zinc/92/30/64/274923064.db2.gz PHOJZQOUEXJTLT-WCQYABFASA-N 1 0 261.756 2.400 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000126634771 278313836 /nfs/dbraw/zinc/31/38/36/278313836.db2.gz CWXLYSHYAPYUKF-ZYHUDNBSSA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C#N)C1 ZINC000247483867 280331092 /nfs/dbraw/zinc/33/10/92/280331092.db2.gz WIJXAYHDDOSZQM-ZYHUDNBSSA-N 1 0 277.393 2.078 10 30 CEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246394683 290221738 /nfs/dbraw/zinc/22/17/38/290221738.db2.gz JBTQQHXEGHDWOE-IIDMSEBBSA-N 1 0 299.418 2.272 10 30 CEEERO O=C(N[C@@H]1CCCC[C@@H]1O)C1CC[NH+](C2CC2)CC1 ZINC000329841257 295379702 /nfs/dbraw/zinc/37/97/02/295379702.db2.gz JZMWBAVPNXJHJK-KGLIPLIRSA-N 1 0 266.385 2.121 10 30 CEEERO C=CCC(CC=C)C(=O)N1CCN(CCOCC)[C@@H](C)C1 ZINC000150726999 327365552 /nfs/dbraw/zinc/36/55/52/327365552.db2.gz XJLPPEJLWRWUGY-HNNXBMFYSA-N 1 0 294.439 2.324 10 30 CEEERO C=CC[C@H](CC)[NH2+]C[C@H](O)COCc1ccco1 ZINC000393854408 329090569 /nfs/dbraw/zinc/09/05/69/329090569.db2.gz YGJJJWKDYXPTHY-STQMWFEESA-N 1 0 253.342 2.101 10 30 CEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])N(C)C3CC3)C2)cc1F ZINC000261649688 329974555 /nfs/dbraw/zinc/97/45/55/329974555.db2.gz HEXBIWXCVAVNGY-HAQNSBGRSA-N 1 0 291.370 2.489 10 30 CEEERO C=C(Br)CNC(=[NH2+])NCCc1cccs1 ZINC000262005392 329996687 /nfs/dbraw/zinc/99/66/87/329996687.db2.gz REUBAUBPUYJCCX-UHFFFAOYSA-N 1 0 288.214 2.104 10 30 CEEERO C[C@H]1CCCN(C(=[NH2+])N[C@@H]2COc3ccc(F)cc32)C1 ZINC000262436555 330012866 /nfs/dbraw/zinc/01/28/66/330012866.db2.gz TYNMDQKIZJYIRO-GXFFZTMASA-N 1 0 277.343 2.306 10 30 CEEERO C[NH+]=C(NC(C)C)N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000262471467 330015604 /nfs/dbraw/zinc/01/56/04/330015604.db2.gz ZBIXHEZCDBVXBR-GDBMZVCRSA-N 1 0 275.396 2.299 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=[NH2+])NC(C)(C)C ZINC000262507277 330018561 /nfs/dbraw/zinc/01/85/61/330018561.db2.gz BSLJGMZCJJIHAF-BBRMVZONSA-N 1 0 275.396 2.428 10 30 CEEERO Cc1sc(CNC(=[NH2+])N2CCSCC2)nc1C(C)C ZINC000262507332 330018861 /nfs/dbraw/zinc/01/88/61/330018861.db2.gz BUPLPPFEFKKCJI-UHFFFAOYSA-N 1 0 298.481 2.438 10 30 CEEERO Cc1sc(CNC(=[NH2+])NC(C)C)nc1C(C)C ZINC000262547918 330020905 /nfs/dbraw/zinc/02/09/05/330020905.db2.gz WKDCZBZHCQRWCA-UHFFFAOYSA-N 1 0 254.403 2.388 10 30 CEEERO [NH2+]=C(NCCc1cccs1)NC[C@H]1CC12CCOCC2 ZINC000262839177 330034859 /nfs/dbraw/zinc/03/48/59/330034859.db2.gz TZRHGZKCOOLXCR-GFCCVEGCSA-N 1 0 293.436 2.012 10 30 CEEERO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)N1CCC1 ZINC000263029936 330039387 /nfs/dbraw/zinc/03/93/87/330039387.db2.gz BCGDTNAFRWMHFE-NWDGAFQWSA-N 1 0 281.306 2.164 10 30 CEEERO CN(C)C(=[NH+]Cc1c(F)cc(F)cc1F)N(C)C ZINC000263158132 330046504 /nfs/dbraw/zinc/04/65/04/330046504.db2.gz QFKQEEJVTBCKAJ-UHFFFAOYSA-N 1 0 259.275 2.083 10 30 CEEERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000049198027 519793776 /nfs/dbraw/zinc/79/37/76/519793776.db2.gz DKIBUYDRWVWAOO-MRXNPFEDSA-N 1 0 275.396 2.265 10 30 CEEERO CCC(C)(C)[N@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000069446189 521299760 /nfs/dbraw/zinc/29/97/60/521299760.db2.gz GOURKMZRIUVTCV-UHFFFAOYSA-N 1 0 274.408 2.496 10 30 CEEERO CC#CCOc1c(OC)cc(C[NH2+]CC)cc1OC ZINC000051662583 519344017 /nfs/dbraw/zinc/34/40/17/519344017.db2.gz BCKGXSAAXRMLNM-UHFFFAOYSA-N 1 0 263.337 2.215 10 30 CEEERO CC[NH2+]CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000061288671 519917824 /nfs/dbraw/zinc/91/78/24/519917824.db2.gz HVANVGQBZGGNOE-UHFFFAOYSA-N 1 0 251.717 2.150 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652800 520127796 /nfs/dbraw/zinc/12/77/96/520127796.db2.gz JJPOTLMXFKRTRY-HZPDHXFCSA-N 1 0 280.460 2.074 10 30 CEEERO C[NH+](C)CCCNc1cc(C#N)c2ccccc2n1 ZINC000068769858 524057278 /nfs/dbraw/zinc/05/72/78/524057278.db2.gz IQTDPSFFAKHSRH-UHFFFAOYSA-N 1 0 254.337 2.470 10 30 CEEERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000070157190 524287862 /nfs/dbraw/zinc/28/78/62/524287862.db2.gz HBICGTOAXYSLOA-PWSUYJOCSA-N 1 0 274.324 2.173 10 30 CEEERO N#Cc1ccc(NC[C@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000174684876 534795021 /nfs/dbraw/zinc/79/50/21/534795021.db2.gz JMPBNAAYMMXYFP-AWEZNQCLSA-N 1 0 293.798 2.470 10 30 CEEERO C[C@@H]([NH3+])Cc1cccc(OCc2cccnc2C#N)c1 ZINC000061659914 525000617 /nfs/dbraw/zinc/00/06/17/525000617.db2.gz RCKHXYOIMHDZPJ-GFCCVEGCSA-N 1 0 267.332 2.422 10 30 CEEERO CSCCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000069433926 525479554 /nfs/dbraw/zinc/47/95/54/525479554.db2.gz BRVFFKMMCQFJEJ-UHFFFAOYSA-N 1 0 250.367 2.432 10 30 CEEERO Cc1c(C)n(C[C@@H](C)C[NH+]2CCCC2)c(N)c1C#N ZINC000058012144 525683336 /nfs/dbraw/zinc/68/33/36/525683336.db2.gz JFVNPBVHSWVVRR-NSHDSACASA-N 1 0 260.385 2.291 10 30 CEEERO Cc1ccc(C#N)c(NCc2ccc(CC[NH3+])cc2)n1 ZINC000052899293 525993887 /nfs/dbraw/zinc/99/38/87/525993887.db2.gz RGCRARCEMLBKFO-UHFFFAOYSA-N 1 0 266.348 2.375 10 30 CEEERO Cc1nn(Cc2ccc(C#N)cc2F)c(C)c1CC[NH3+] ZINC000062802713 526288440 /nfs/dbraw/zinc/28/84/40/526288440.db2.gz FRIALEWXNKMPFU-UHFFFAOYSA-N 1 0 272.327 2.060 10 30 CEEERO N#Cc1cc(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000063190610 526564581 /nfs/dbraw/zinc/56/45/81/526564581.db2.gz IAZSXCZJTIAHFX-LSDHHAIUSA-N 1 0 256.353 2.064 10 30 CEEERO C[NH+](C)C[C@@H](NC(=O)C#Cc1ccccc1)c1ccccc1 ZINC000175952206 623371761 /nfs/dbraw/zinc/37/17/61/623371761.db2.gz JKTUDFGJZAZBOU-GOSISDBHSA-N 1 0 292.382 2.457 10 30 CEEERO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CCC[NH2+]C1 ZINC000235215933 625083731 /nfs/dbraw/zinc/08/37/31/625083731.db2.gz ZVCLQYLFAHSHJE-SFYZADRCSA-N 1 0 270.789 2.468 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1C[C@H](C)C[C@H](C)C1 ZINC000085747353 632243518 /nfs/dbraw/zinc/24/35/18/632243518.db2.gz OUGIMXYPIFAOFU-XGUBFFRZSA-N 1 0 281.444 2.091 10 30 CEEERO C#C[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123127858 648815606 /nfs/dbraw/zinc/81/56/06/648815606.db2.gz WEXLALXTIGAHAX-OLZOCXBDSA-N 1 0 266.385 2.245 10 30 CEEERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO ZINC000033374171 361777545 /nfs/dbraw/zinc/77/75/45/361777545.db2.gz NFKLPTMMLYYXEQ-ILXRZTDVSA-N 1 0 286.436 2.059 10 30 CEEERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000096663010 185108746 /nfs/dbraw/zinc/10/87/46/185108746.db2.gz OJUNYQBHNSQZJZ-SNVBAGLBSA-N 1 0 290.323 2.170 10 30 CEEERO N#Cc1ccc(NC(=O)CC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000096809682 185114912 /nfs/dbraw/zinc/11/49/12/185114912.db2.gz YLRMFBBAJXVAGC-UHFFFAOYSA-N 1 0 288.307 2.067 10 30 CEEERO CCc1nnc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c(C#N)c1CC ZINC000125482785 187187359 /nfs/dbraw/zinc/18/73/59/187187359.db2.gz KAWVPXZAUQFCCO-VXGBXAGGSA-N 1 0 287.411 2.273 10 30 CEEERO Brc1cncc2[nH]cc(C#CC[NH2+]C3CC3)c21 ZINC000725245978 539191785 /nfs/dbraw/zinc/19/17/85/539191785.db2.gz NQYKSEWHDCGMQZ-UHFFFAOYSA-N 1 0 290.164 2.429 10 30 CEEERO C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000127845623 187336220 /nfs/dbraw/zinc/33/62/20/187336220.db2.gz GAZLGBSHBMRHBZ-WDEREUQCSA-N 1 0 274.324 2.266 10 30 CEEERO C[NH+](C)CC#CCCC(=O)[C@](O)(c1ccccc1)C1CC1 ZINC000013825127 343367150 /nfs/dbraw/zinc/36/71/50/343367150.db2.gz UECYEVVALVNYSW-SFHVURJKSA-N 1 0 285.387 2.199 10 30 CEEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000128604556 365797360 /nfs/dbraw/zinc/79/73/60/365797360.db2.gz JBYJPICXGXZQRX-CQSZACIVSA-N 1 0 275.400 2.320 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251387593 344636107 /nfs/dbraw/zinc/63/61/07/344636107.db2.gz VJUKUWNMYQHWCW-KGLIPLIRSA-N 1 0 277.412 2.402 10 30 CEEERO CCC[C@@H]1C[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000300589970 344700698 /nfs/dbraw/zinc/70/06/98/344700698.db2.gz TZGJBBXLYPKZLJ-HIFRSBDPSA-N 1 0 292.404 2.110 10 30 CEEERO C[NH+]1CCC(Oc2ccnc(Cl)c2C#N)CC1 ZINC000584624640 344968258 /nfs/dbraw/zinc/96/82/58/344968258.db2.gz ZELBKYXTEUYPNV-UHFFFAOYSA-N 1 0 251.717 2.080 10 30 CEEERO C=CCNC(=O)CSc1cccc([C@H](C)[NH3+])c1 ZINC000084123430 178797938 /nfs/dbraw/zinc/79/79/38/178797938.db2.gz MRQVWVYNGKKTBK-JTQLQIEISA-N 1 0 250.367 2.101 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CC1([NH3+])CCCC1 ZINC000084167799 178812447 /nfs/dbraw/zinc/81/24/47/178812447.db2.gz WLFFQHIMPPRWNP-UHFFFAOYSA-N 1 0 288.307 2.067 10 30 CEEERO N#Cc1cc(Br)cnc1NCC1([NH3+])CCCC1 ZINC000594694835 345673594 /nfs/dbraw/zinc/67/35/94/345673594.db2.gz VGAGOEMRSFFDFC-UHFFFAOYSA-N 1 0 295.184 2.399 10 30 CEEERO N#C[C@]1(N2CCC[NH2+]CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000085130523 178952874 /nfs/dbraw/zinc/95/28/74/178952874.db2.gz FWPFLEGEINJUAB-NEPJUHHUSA-N 1 0 275.318 2.297 10 30 CEEERO C[C@H]1C[C@@H]([NH3+])CN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000094553355 136514080 /nfs/dbraw/zinc/51/40/80/136514080.db2.gz OSRVMOUGTNLZRR-SMDDNHRTSA-N 1 0 270.380 2.006 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368153 179038041 /nfs/dbraw/zinc/03/80/41/179038041.db2.gz LHDNLLZJNJCPHF-LSDHHAIUSA-N 1 0 271.364 2.034 10 30 CEEERO Cc1ccc(C#N)c(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000063201425 362761003 /nfs/dbraw/zinc/76/10/03/362761003.db2.gz LEMUVSUEAMNMDZ-HNNXBMFYSA-N 1 0 270.380 2.230 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000600951134 346715195 /nfs/dbraw/zinc/71/51/95/346715195.db2.gz HMOXKWXENVUYCX-DZGCQCFKSA-N 1 0 270.380 2.384 10 30 CEEERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C[NH3+] ZINC000600960863 346719273 /nfs/dbraw/zinc/71/92/73/346719273.db2.gz JGUGYLGHGSFMOR-SCZZXKLOSA-N 1 0 284.285 2.003 10 30 CEEERO N#CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085979813 179209334 /nfs/dbraw/zinc/20/93/34/179209334.db2.gz VOJIOKHKTRDQFP-HOCLYGCPSA-N 1 0 274.364 2.230 10 30 CEEERO C#CCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000086171768 179243514 /nfs/dbraw/zinc/24/35/14/179243514.db2.gz PJBLTEVLCXCDSZ-IAGOWNOFSA-N 1 0 256.393 2.161 10 30 CEEERO C#CCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@H]1CC ZINC000086176218 179246617 /nfs/dbraw/zinc/24/66/17/179246617.db2.gz QPFYUSLFTHNQMA-DLBZAZTESA-N 1 0 256.393 2.305 10 30 CEEERO C#CC(C)(C)N1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086176193 179246650 /nfs/dbraw/zinc/24/66/50/179246650.db2.gz VVFJQGAWBFPKJA-GOEBONIOSA-N 1 0 256.393 2.303 10 30 CEEERO C#CC(C)(C)N1C[C@H](Cc2ccccc2)[NH2+]C[C@H]1C ZINC000086176194 179246651 /nfs/dbraw/zinc/24/66/51/179246651.db2.gz VVFJQGAWBFPKJA-ZBFHGGJFSA-N 1 0 256.393 2.303 10 30 CEEERO CC[C@H]1CN(C(=O)C#Cc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086447910 179295411 /nfs/dbraw/zinc/29/54/11/179295411.db2.gz JCYPNOORVQDPLH-HOTGVXAUSA-N 1 0 270.376 2.027 10 30 CEEERO C=C(C)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616572501 348524080 /nfs/dbraw/zinc/52/40/80/348524080.db2.gz WIQOMKNNGGFLNJ-ZIAGYGMSSA-N 1 0 262.328 2.045 10 30 CEEERO N#Cc1ccc([C@H]2CN(CC[NH3+])c3ccccc3N2)cc1 ZINC000616682374 348559639 /nfs/dbraw/zinc/55/96/39/348559639.db2.gz BFWNDDKONJKPCK-MRXNPFEDSA-N 1 0 278.359 2.490 10 30 CEEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H]1CO ZINC000089497374 179804588 /nfs/dbraw/zinc/80/45/88/179804588.db2.gz LTFWBLUDLSUOAS-XQLPTFJDSA-N 1 0 250.386 2.457 10 30 CEEERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1c(C#N)cnc2ccccc21 ZINC000090328761 179959912 /nfs/dbraw/zinc/95/99/12/179959912.db2.gz YADJORNCGZTGSP-UXIGCNINSA-N 1 0 278.359 2.151 10 30 CEEERO Cc1ncccc1NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000091497946 180173215 /nfs/dbraw/zinc/17/32/15/180173215.db2.gz BSMPFHDFWRARSD-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CCc1ccc(C(=O)Nc2ccccc2C#CC[NH3+])o1 ZINC000091775618 180251917 /nfs/dbraw/zinc/25/19/17/180251917.db2.gz XSQDVTLXPYTFSL-UHFFFAOYSA-N 1 0 268.316 2.405 10 30 CEEERO C[NH2+]C1CCC(Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000091873488 180278281 /nfs/dbraw/zinc/27/82/81/180278281.db2.gz DBPGAVYIMVJEBY-UHFFFAOYSA-N 1 0 274.324 2.409 10 30 CEEERO Cc1cc(NC(=O)N2CCCCC2)ccc1C#CC[NH3+] ZINC000091969675 180295236 /nfs/dbraw/zinc/29/52/36/180295236.db2.gz BHQWQYLZSREVHP-UHFFFAOYSA-N 1 0 271.364 2.323 10 30 CEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092112285 180327568 /nfs/dbraw/zinc/32/75/68/180327568.db2.gz YVJJQCVVXBPLGO-CHWSQXEVSA-N 1 0 270.376 2.033 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201896 180342764 /nfs/dbraw/zinc/34/27/64/180342764.db2.gz RZOZUUPHGADEKU-WPRPVWTQSA-N 1 0 261.712 2.054 10 30 CEEERO C=C(Cl)CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915924 186089320 /nfs/dbraw/zinc/08/93/20/186089320.db2.gz RSGOOEKWKQQLPN-UHFFFAOYSA-N 1 0 282.819 2.032 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](c1cccs1)C(C)C ZINC000105996647 186096707 /nfs/dbraw/zinc/09/67/07/186096707.db2.gz MRQGBZUDCDAXKL-CYBMUJFWSA-N 1 0 252.383 2.337 10 30 CEEERO N#CCCN(Cc1cccc(NN)[nH+]1)c1ccccc1 ZINC000092370059 180370500 /nfs/dbraw/zinc/37/05/00/180370500.db2.gz PHQHLEYUUKJFFX-UHFFFAOYSA-N 1 0 267.336 2.287 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000092473820 180392901 /nfs/dbraw/zinc/39/29/01/180392901.db2.gz TUFLXBIYEAJHFK-SNVBAGLBSA-N 1 0 284.306 2.241 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000092473744 180392998 /nfs/dbraw/zinc/39/29/98/180392998.db2.gz NMXPQDHSJKDDFL-JTQLQIEISA-N 1 0 297.196 2.402 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000092476117 180393606 /nfs/dbraw/zinc/39/36/06/180393606.db2.gz NVHZMTDNCMFAPV-ZDUSSCGKSA-N 1 0 252.402 2.437 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc2ccc(C)nc21 ZINC000092475767 180394142 /nfs/dbraw/zinc/39/41/42/180394142.db2.gz DFTGMAGBOOGQSV-UHFFFAOYSA-N 1 0 255.321 2.257 10 30 CEEERO C#CC[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000092492774 180396543 /nfs/dbraw/zinc/39/65/43/180396543.db2.gz XSVQZQKORRYMFS-NSHDSACASA-N 1 0 264.756 2.082 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2cccc(C#CC[NH3+])c2)CC1 ZINC000110817757 186327222 /nfs/dbraw/zinc/32/72/22/186327222.db2.gz BJMOYPLHFLSQOV-CQSZACIVSA-N 1 0 270.376 2.259 10 30 CEEERO CCN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000110947211 186335169 /nfs/dbraw/zinc/33/51/69/186335169.db2.gz FPWAUTTZBNOZNF-GFCCVEGCSA-N 1 0 274.324 2.045 10 30 CEEERO CCC[NH2+]CCCn1c2ccccc2nc1CC#N ZINC000110952200 186336159 /nfs/dbraw/zinc/33/61/59/186336159.db2.gz SHBXHYLANANRKX-UHFFFAOYSA-N 1 0 256.353 2.492 10 30 CEEERO [NH3+]CC#Cc1ccccc1COc1ccccc1CO ZINC000110994482 186340863 /nfs/dbraw/zinc/34/08/63/186340863.db2.gz IDJFHESCZAHPTO-UHFFFAOYSA-N 1 0 267.328 2.068 10 30 CEEERO N#Cc1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110793325 186324879 /nfs/dbraw/zinc/32/48/79/186324879.db2.gz QENCPPZQCAVORA-NSHDSACASA-N 1 0 274.324 2.268 10 30 CEEERO CCCOCCOCc1ccc(F)c(C#CC[NH3+])c1 ZINC000111109714 186353371 /nfs/dbraw/zinc/35/33/71/186353371.db2.gz MRKKJSISJFGRFK-UHFFFAOYSA-N 1 0 265.328 2.079 10 30 CEEERO CCOCC[N@H+](CC)Cc1ccc(F)cc1C#CCO ZINC000111121113 186354504 /nfs/dbraw/zinc/35/45/04/186354504.db2.gz OXWIXAPKJJQKGK-UHFFFAOYSA-N 1 0 279.355 2.028 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](CC)CCOCC ZINC000111121649 186355591 /nfs/dbraw/zinc/35/55/91/186355591.db2.gz HRADUGSUZAUHSF-HNNXBMFYSA-N 1 0 269.433 2.407 10 30 CEEERO CC(C)C[C@H](C[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000111830771 186461514 /nfs/dbraw/zinc/46/15/14/186461514.db2.gz OPJGURAXYYRIBV-CYBMUJFWSA-N 1 0 258.369 2.227 10 30 CEEERO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000337316908 366141522 /nfs/dbraw/zinc/14/15/22/366141522.db2.gz YRWWNEIHBDFNGL-FPCVCCKLSA-N 1 0 275.396 2.445 10 30 CEEERO CC(C)(C)OC(=O)N1CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675060412 540080662 /nfs/dbraw/zinc/08/06/62/540080662.db2.gz YNBDDQSHPRSSHA-TZMCWYRMSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1ccc(-c2cnn3c2C[NH2+]CC3)cc1Cl ZINC000675076561 540117971 /nfs/dbraw/zinc/11/79/71/540117971.db2.gz OWUJIECBXABCLK-UHFFFAOYSA-N 1 0 258.712 2.178 10 30 CEEERO N#Cc1cc(F)ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228553020 283099444 /nfs/dbraw/zinc/09/94/44/283099444.db2.gz ATDFGWSZTXBZPJ-ZLKJLUDKSA-N 1 0 259.328 2.261 10 30 CEEERO C[NH2+]CC1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000133675021 366246193 /nfs/dbraw/zinc/24/61/93/366246193.db2.gz RBQLXCQEBILNQK-UHFFFAOYSA-N 1 0 265.307 2.272 10 30 CEEERO C[C@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000181559736 189300375 /nfs/dbraw/zinc/30/03/75/189300375.db2.gz IVJCGTUPVWYVBB-YOEHRIQHSA-N 1 0 287.407 2.056 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(C#N)CCCC1 ZINC000092630793 364089889 /nfs/dbraw/zinc/08/98/89/364089889.db2.gz CYDSADYJZXFTKE-ZDUSSCGKSA-N 1 0 263.385 2.013 10 30 CEEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000094592168 364281621 /nfs/dbraw/zinc/28/16/21/364281621.db2.gz NCLZQQVDSAKEPA-GFCCVEGCSA-N 1 0 260.297 2.020 10 30 CEEERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000102400672 364593551 /nfs/dbraw/zinc/59/35/51/364593551.db2.gz QVVQZRUZYTXXLM-CYBMUJFWSA-N 1 0 261.373 2.171 10 30 CEEERO COc1cc(C#N)ccc1CN1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000120971148 365505448 /nfs/dbraw/zinc/50/54/48/365505448.db2.gz YLWBUWSYKURALV-CZUORRHYSA-N 1 0 285.391 2.235 10 30 CEEERO CC[NH2+]CC1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000161779111 367111969 /nfs/dbraw/zinc/11/19/69/367111969.db2.gz YGDYUHSGJCXTBZ-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000176291877 368221078 /nfs/dbraw/zinc/22/10/78/368221078.db2.gz NDZZKOLHVDZMQY-NSHDSACASA-N 1 0 293.317 2.051 10 30 CEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195328320 370126058 /nfs/dbraw/zinc/12/60/58/370126058.db2.gz NCULUHUDAHPRGQ-QWHCGFSZSA-N 1 0 293.436 2.322 10 30 CEEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCC#N ZINC000249707372 371353774 /nfs/dbraw/zinc/35/37/74/371353774.db2.gz BLKAZAPJVQRJGY-UPJWGTAASA-N 1 0 250.342 2.096 10 30 CEEERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(Cl)c(C#N)s1 ZINC000287862321 376330858 /nfs/dbraw/zinc/33/08/58/376330858.db2.gz MEWVYKACFDRSDG-QMMMGPOBSA-N 1 0 270.789 2.056 10 30 CEEERO C=CCC(C)(C)C[NH2+]Cc1c(C)nn(C)c1OC ZINC000293081298 377419302 /nfs/dbraw/zinc/41/93/02/377419302.db2.gz WFYBEPLHGPMHTA-UHFFFAOYSA-N 1 0 251.374 2.429 10 30 CEEERO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000334819977 207131799 /nfs/dbraw/zinc/13/17/99/207131799.db2.gz RGOAPBILXYYCFK-CQSZACIVSA-N 1 0 286.379 2.458 10 30 CEEERO CC(C)[C@@H](C#N)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000044824010 184560495 /nfs/dbraw/zinc/56/04/95/184560495.db2.gz JUOISMZLCMXUTI-OAHLLOKOSA-N 1 0 277.412 2.259 10 30 CEEERO C=CCOCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000385555947 542369022 /nfs/dbraw/zinc/36/90/22/542369022.db2.gz RUNJMVXMMZNLEB-LLVKDONJSA-N 1 0 251.374 2.373 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@]1(C)c1ccc(OCC)cc1 ZINC000093375187 184668191 /nfs/dbraw/zinc/66/81/91/184668191.db2.gz NKVVATKCZCRPLO-OAHLLOKOSA-N 1 0 259.353 2.117 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)C1CCC(C[NH3+])CC1 ZINC000093424880 184673230 /nfs/dbraw/zinc/67/32/30/184673230.db2.gz MONSNRNUOROVRJ-UHFFFAOYSA-N 1 0 275.327 2.401 10 30 CEEERO N#Cc1ccc(NC(=O)C2CCC(C[NH3+])CC2)cc1 ZINC000093424737 184673817 /nfs/dbraw/zinc/67/38/17/184673817.db2.gz JLANGSSKFMZKBH-UHFFFAOYSA-N 1 0 257.337 2.262 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996159 177750911 /nfs/dbraw/zinc/75/09/11/177750911.db2.gz WKYOAPHUZLPNDL-HNNXBMFYSA-N 1 0 271.364 2.049 10 30 CEEERO CCCCN(C(=O)c1csc(C#CC[NH3+])c1)C1CC1 ZINC000093975984 184747226 /nfs/dbraw/zinc/74/72/26/184747226.db2.gz RHAYYBKRBQEUGM-UHFFFAOYSA-N 1 0 276.405 2.463 10 30 CEEERO CCC1(CC)CCN(C(=O)c2ccc(C#CC[NH3+])cn2)C1 ZINC000094808522 184869835 /nfs/dbraw/zinc/86/98/35/184869835.db2.gz WTPDBIQFFJDUHF-UHFFFAOYSA-N 1 0 285.391 2.044 10 30 CEEERO C=C[C@](C)(O)C[N@H+](CCN(C)C)Cc1ccccc1C ZINC000036032320 394494842 /nfs/dbraw/zinc/49/48/42/394494842.db2.gz VJRGLTPPMFCFBJ-KRWDZBQOSA-N 1 0 276.424 2.296 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000246798686 394521839 /nfs/dbraw/zinc/52/18/39/394521839.db2.gz BTPOFVVQCLLREZ-BBRMVZONSA-N 1 0 255.365 2.227 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCOc1ccc(C#N)cc1 ZINC000247017103 394524970 /nfs/dbraw/zinc/52/49/70/394524970.db2.gz FYVQRPXPWCUYSA-RDJZCZTQSA-N 1 0 299.418 2.496 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000132446957 394930559 /nfs/dbraw/zinc/93/05/59/394930559.db2.gz SZFOXTVPAZMSCV-RYUDHWBXSA-N 1 0 266.348 2.280 10 30 CEEERO C#CCCCCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000374515747 395083388 /nfs/dbraw/zinc/08/33/88/395083388.db2.gz WXYQXLMQRMDWJQ-LSDHHAIUSA-N 1 0 262.397 2.265 10 30 CEEERO N#Cc1cc(F)c(NC[C@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000174683577 395127305 /nfs/dbraw/zinc/12/73/05/395127305.db2.gz DNZSNSHVSMVFPE-LBPRGKRZSA-N 1 0 295.333 2.095 10 30 CEEERO N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398808118 395238248 /nfs/dbraw/zinc/23/82/48/395238248.db2.gz UNCYWIKRTHMBSR-ARFHVFGLSA-N 1 0 256.349 2.151 10 30 CEEERO N#Cc1ccc2nc(N3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000179911379 395198122 /nfs/dbraw/zinc/19/81/22/395198122.db2.gz UKATWZCISIZVMX-OAHLLOKOSA-N 1 0 278.359 2.391 10 30 CEEERO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131798775 162298759 /nfs/dbraw/zinc/29/87/59/162298759.db2.gz GMXFGFMOVMWQAR-LBPRGKRZSA-N 1 0 262.313 2.252 10 30 CEEERO N#Cc1cc(Br)cnc1NC1CCC([NH3+])CC1 ZINC000261544599 162543610 /nfs/dbraw/zinc/54/36/10/162543610.db2.gz DYJIMQPHFLFMLD-UHFFFAOYSA-N 1 0 295.184 2.398 10 30 CEEERO N#Cc1ccc(NC[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000169223139 165034355 /nfs/dbraw/zinc/03/43/55/165034355.db2.gz QEASNGHHYYACDT-JTQLQIEISA-N 1 0 280.169 2.485 10 30 CEEERO CCCOc1cccc([C@@H](C#N)NCC[NH+](C)C)c1 ZINC000020176671 171042932 /nfs/dbraw/zinc/04/29/32/171042932.db2.gz XOVFICWWHVFHAO-OAHLLOKOSA-N 1 0 261.369 2.191 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020368210 171166217 /nfs/dbraw/zinc/16/62/17/171166217.db2.gz PKAAJYYKXFTJKH-DAZFMJRUSA-N 1 0 288.435 2.319 10 30 CEEERO CC[C@H](C)C[N@H+](C)Cc1ccc(/C(N)=N/O)cc1F ZINC000037173305 173007744 /nfs/dbraw/zinc/00/77/44/173007744.db2.gz ZNSPXQYWSXZLNG-JTQLQIEISA-N 1 0 267.348 2.398 10 30 CEEERO CC(C)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000037508812 173243778 /nfs/dbraw/zinc/24/37/78/173243778.db2.gz WFZXTYSKUHLHMB-RISCZKNCSA-N 1 0 259.353 2.109 10 30 CEEERO C#CCCOc1cc2c(cc1C[NH2+]C(C)C)OCO2 ZINC000042874846 174900037 /nfs/dbraw/zinc/90/00/37/174900037.db2.gz ZYAXKTAMDNCBQC-UHFFFAOYSA-N 1 0 261.321 2.315 10 30 CEEERO CCC[NH2+][C@H](c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301274 175002105 /nfs/dbraw/zinc/00/21/05/175002105.db2.gz UBCBFIZXXJGMRT-HUUCEWRRSA-N 1 0 292.404 2.034 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccccn1 ZINC000043342974 175015697 /nfs/dbraw/zinc/01/56/97/175015697.db2.gz UPAHQUYKHHOWQP-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@@H]([NH3+])[C@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376725 175030113 /nfs/dbraw/zinc/03/01/13/175030113.db2.gz DASNODLMSRZMBA-PWSUYJOCSA-N 1 0 286.301 2.075 10 30 CEEERO CCC(CC)[N@H+](CCO)Cc1sccc1C#CCCO ZINC000043681936 175090990 /nfs/dbraw/zinc/09/09/90/175090990.db2.gz IURRBVPQCBGBST-UHFFFAOYSA-N 1 0 295.448 2.465 10 30 CEEERO [NH3+]CC#Cc1ccsc1Cn1ccc(=O)c2ccccc21 ZINC000043684468 175092630 /nfs/dbraw/zinc/09/26/30/175092630.db2.gz GNRNBAYTBUCPFC-UHFFFAOYSA-N 1 0 294.379 2.422 10 30 CEEERO [NH3+]CC#Cc1ccsc1COC[C@H]1CCCCO1 ZINC000043685053 175093504 /nfs/dbraw/zinc/09/35/04/175093504.db2.gz PXEVSKMAHSEFRM-CYBMUJFWSA-N 1 0 265.378 2.144 10 30 CEEERO CCN(Cc1cc(C#CC[NH3+])cs1)C[C@H](C)C#N ZINC000043689086 175095967 /nfs/dbraw/zinc/09/59/67/175095967.db2.gz MOGNZTOUOHPNOO-GFCCVEGCSA-N 1 0 261.394 2.040 10 30 CEEERO CCC(C#N)(CC)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000044766583 175249279 /nfs/dbraw/zinc/24/92/79/175249279.db2.gz VXNCWIUEBJNRHN-GFCCVEGCSA-N 1 0 253.390 2.019 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](CCOC)CC(C)C ZINC000045182035 175325354 /nfs/dbraw/zinc/32/53/54/175325354.db2.gz UDHFZCCZIRJPIY-OAHLLOKOSA-N 1 0 269.433 2.263 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](CCOC)C1CC1 ZINC000045316770 175357990 /nfs/dbraw/zinc/35/79/90/175357990.db2.gz MUYPZISDZYARKF-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO COCC[N@H+](CCC[C@@](C)(C#N)NC(C)C)C1CC1 ZINC000045316739 175358062 /nfs/dbraw/zinc/35/80/62/175358062.db2.gz NHBSSPUABURRHL-HNNXBMFYSA-N 1 0 267.417 2.158 10 30 CEEERO CC[N@H+](CCC[C@](C)(C#N)NC1CC1)C[C@@H]1CCCO1 ZINC000045315143 175358068 /nfs/dbraw/zinc/35/80/68/175358068.db2.gz QJNUOXATXYUCKH-JKSUJKDBSA-N 1 0 279.428 2.302 10 30 CEEERO CCCC[C@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000050890993 175519969 /nfs/dbraw/zinc/51/99/69/175519969.db2.gz IILIFRBNHYWHEG-ZDUSSCGKSA-N 1 0 258.365 2.305 10 30 CEEERO C=CC[NH2+]C[C@H](C)N1CCC[C@H](C(F)(F)F)C1 ZINC000053447864 175548663 /nfs/dbraw/zinc/54/86/63/175548663.db2.gz GGWWOOQCYGMJIQ-QWRGUYRKSA-N 1 0 250.308 2.425 10 30 CEEERO C#CCOc1ccc(C[NH2+]C)cc1Br ZINC000062700856 175671864 /nfs/dbraw/zinc/67/18/64/175671864.db2.gz PFGFMIHYBJCFEU-UHFFFAOYSA-N 1 0 254.127 2.181 10 30 CEEERO C=CCN(C(=O)C1(C)CC[NH2+]CC1)C1CCCC1 ZINC000062840738 175675664 /nfs/dbraw/zinc/67/56/64/175675664.db2.gz AHTJUMUBXPWBEO-UHFFFAOYSA-N 1 0 250.386 2.333 10 30 CEEERO Fc1ccc(C#CCN2CC[NH2+]CC2)c2ccccc12 ZINC000070373356 175899177 /nfs/dbraw/zinc/89/91/77/175899177.db2.gz QMZMJWNRLRWQNN-UHFFFAOYSA-N 1 0 268.335 2.236 10 30 CEEERO COCCN(CCC#N)[C@@H](c1ccc(C)s1)[C@H](C)[NH3+] ZINC000071222038 176087846 /nfs/dbraw/zinc/08/78/46/176087846.db2.gz XJVIWTSPNUTNPA-GXTWGEPZSA-N 1 0 281.425 2.307 10 30 CEEERO N#Cc1cc(F)ccc1CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000071264335 176097336 /nfs/dbraw/zinc/09/73/36/176097336.db2.gz HHYISOSAKOYKEE-JKSUJKDBSA-N 1 0 273.355 2.414 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1N1CCCCCC1=O ZINC000071278323 176107664 /nfs/dbraw/zinc/10/76/64/176107664.db2.gz HIVOJTAYLNPZOC-UHFFFAOYSA-N 1 0 260.312 2.043 10 30 CEEERO CC[C@@H](CC#N)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401449 176153742 /nfs/dbraw/zinc/15/37/42/176153742.db2.gz WYIXBXJOAIQPBL-UONOGXRCSA-N 1 0 259.353 2.275 10 30 CEEERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccccc2-n2ccnn2)C1 ZINC000329853123 227967422 /nfs/dbraw/zinc/96/74/22/227967422.db2.gz VFUHQHWGMCTEGP-OLZOCXBDSA-N 1 0 299.378 2.055 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160919841 262304618 /nfs/dbraw/zinc/30/46/18/262304618.db2.gz KTSZLNVWJMYAQI-UONOGXRCSA-N 1 0 268.426 2.260 10 30 CEEERO N#Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CC[N@@H+]3CC2CC2)cc1 ZINC000299841826 269958827 /nfs/dbraw/zinc/95/88/27/269958827.db2.gz WBWARFAHNTVGAU-IRXDYDNUSA-N 1 0 295.386 2.257 10 30 CEEERO C=C(C)CNC(=[NH2+])NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184821723 264873066 /nfs/dbraw/zinc/87/30/66/264873066.db2.gz STDZQFCSWXUYFD-UHFFFAOYSA-N 1 0 282.731 2.229 10 30 CEEERO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398987045 270364715 /nfs/dbraw/zinc/36/47/15/270364715.db2.gz FXIKAAMJKXRTBQ-KCQAQPDRSA-N 1 0 274.339 2.290 10 30 CEEERO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398976080 270364796 /nfs/dbraw/zinc/36/47/96/270364796.db2.gz CJUYWBGFXQJDDV-BJJXKVORSA-N 1 0 274.339 2.290 10 30 CEEERO C[NH+](C)[C@@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000228705167 273808516 /nfs/dbraw/zinc/80/85/16/273808516.db2.gz XNXDLBWDBFSDDO-SNVBAGLBSA-N 1 0 294.196 2.461 10 30 CEEERO C[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000129142700 273974980 /nfs/dbraw/zinc/97/49/80/273974980.db2.gz DSPHWOFCZQRWQQ-JTQLQIEISA-N 1 0 269.270 2.375 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1[NH3+] ZINC000214341339 274362559 /nfs/dbraw/zinc/36/25/59/274362559.db2.gz PPLFPIMIKIZHAR-SKDRFNHKSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@H]1CN(c2cccc(Br)c2C#N)CC[NH2+]1 ZINC000161815158 274595344 /nfs/dbraw/zinc/59/53/44/274595344.db2.gz UOOCEHSTBHRFFO-VIFPVBQESA-N 1 0 280.169 2.119 10 30 CEEERO Cc1nc(N[C@@H]2CCC[NH2+][C@H]2C)c(Cl)cc1C#N ZINC000261566958 274844352 /nfs/dbraw/zinc/84/43/52/274844352.db2.gz IIZAIHMQBOILOF-JOYOIKCWSA-N 1 0 264.760 2.468 10 30 CEEERO C[NH2+]C[C@H]1CCCN1c1c(F)cc(C#N)cc1F ZINC000133283870 277285703 /nfs/dbraw/zinc/28/57/03/277285703.db2.gz UXSWAQRJJMNQEG-SNVBAGLBSA-N 1 0 251.280 2.025 10 30 CEEERO C[C@H]1[C@H]([NH3+])CCN1c1ccc(Br)cc1C#N ZINC000261575151 280114568 /nfs/dbraw/zinc/11/45/68/280114568.db2.gz JQBQBYQNAHEYSJ-GZMMTYOYSA-N 1 0 280.169 2.247 10 30 CEEERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000233306721 280219407 /nfs/dbraw/zinc/21/94/07/280219407.db2.gz WXJFHXAMKNALMM-BPLDGKMQSA-N 1 0 274.364 2.076 10 30 CEEERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000247490898 280331369 /nfs/dbraw/zinc/33/13/69/280331369.db2.gz WWDQAGKKPQRFJG-BXUZGUMPSA-N 1 0 263.410 2.438 10 30 CEEERO C[C@@H]1CN(c2c(F)cc(C#N)cc2F)[C@@H](C)C[NH2+]1 ZINC000147793243 297076862 /nfs/dbraw/zinc/07/68/62/297076862.db2.gz YJIWWPKTKSJUJZ-BDAKNGLRSA-N 1 0 251.280 2.023 10 30 CEEERO C[NH+]=C(NCc1cc(C)no1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000179130720 329205551 /nfs/dbraw/zinc/20/55/51/329205551.db2.gz KZHYCTRRIIDYTH-BETUJISGSA-N 1 0 276.384 2.180 10 30 CEEERO CCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000262505329 330018565 /nfs/dbraw/zinc/01/85/65/330018565.db2.gz ZQZLRUHAJQIQKE-RNFRBKRXSA-N 1 0 288.214 2.291 10 30 CEEERO [NH2+]=C(N[C@H]1COc2ccc(F)cc21)N1CCCCCC1 ZINC000262468919 330015341 /nfs/dbraw/zinc/01/53/41/330015341.db2.gz YRYDKDYIDFSDFC-ZDUSSCGKSA-N 1 0 277.343 2.450 10 30 CEEERO CN1CC[NH+]=C1N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262478476 330016371 /nfs/dbraw/zinc/01/63/71/330016371.db2.gz COJZMOPMLORISX-KCJUWKMLSA-N 1 0 267.735 2.226 10 30 CEEERO [NH2+]=C(NC[C@H]1CC12CC2)N[C@H]1CCOc2ccccc21 ZINC000263142003 330045731 /nfs/dbraw/zinc/04/57/31/330045731.db2.gz OIIFKQMLHSSQRO-YPMHNXCESA-N 1 0 271.364 2.215 10 30 CEEERO CN1CCC[NH+]=C1N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000263198217 330048826 /nfs/dbraw/zinc/04/88/26/330048826.db2.gz WVMHKWUCJPQGJZ-YEORSEQZSA-N 1 0 279.334 2.492 10 30 CEEERO COC1CCC(C)(CNC(=[NH2+])NC2CCC2)CC1 ZINC000263207262 330049285 /nfs/dbraw/zinc/04/92/85/330049285.db2.gz YKYVRRMCAPRYQD-UHFFFAOYSA-N 1 0 253.390 2.039 10 30 CEEERO CCCN[C@](C)(C#N)CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055069987 520102603 /nfs/dbraw/zinc/10/26/03/520102603.db2.gz UXMHLNZMCGFMGU-CVEARBPZSA-N 1 0 280.460 2.074 10 30 CEEERO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C#N)c1ccccc1 ZINC000061615425 520733851 /nfs/dbraw/zinc/73/38/51/520733851.db2.gz WFEFWASDYJZCTR-ZFWWWQNUSA-N 1 0 273.380 2.140 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2N)CC1 ZINC000055066620 522134409 /nfs/dbraw/zinc/13/44/09/522134409.db2.gz AWVIMLAWGGWYCI-GFCCVEGCSA-N 1 0 258.369 2.061 10 30 CEEERO C#CCC[NH2+]CCOc1ccc(Br)cc1 ZINC000069769123 518251583 /nfs/dbraw/zinc/25/15/83/518251583.db2.gz NOPXJPHODSKUOG-UHFFFAOYSA-N 1 0 268.154 2.441 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616449 519735751 /nfs/dbraw/zinc/73/57/51/519735751.db2.gz OXKHVWUEYBQLFK-GOEBONIOSA-N 1 0 280.460 2.071 10 30 CEEERO CCCC1(C(=O)N(CC)C[C@H](C)C#N)CC[NH2+]CC1 ZINC000062849203 519887496 /nfs/dbraw/zinc/88/74/96/519887496.db2.gz XDABVRPJVRBMAP-CYBMUJFWSA-N 1 0 265.401 2.164 10 30 CEEERO CC[NH2+]C(C)(C)C(=O)N(CC)Cc1ccc(C#N)cc1F ZINC000061295483 519903146 /nfs/dbraw/zinc/90/31/46/519903146.db2.gz IBAMTPQNWGQGTM-UHFFFAOYSA-N 1 0 291.370 2.434 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613184 520032483 /nfs/dbraw/zinc/03/24/83/520032483.db2.gz HIYBRZDEMFDZRU-DOTOQJQBSA-N 1 0 294.487 2.463 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000068614884 520131463 /nfs/dbraw/zinc/13/14/63/520131463.db2.gz MWDNEQYUPAUWPX-DOTOQJQBSA-N 1 0 292.471 2.217 10 30 CEEERO CC[NH2+][C@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436688 520182938 /nfs/dbraw/zinc/18/29/38/520182938.db2.gz DJIUNTHIXNIPNL-LLVKDONJSA-N 1 0 269.352 2.426 10 30 CEEERO CC[NH+](CC)CCOc1cc(Cl)ccc1/C(N)=N/O ZINC000062789693 520696410 /nfs/dbraw/zinc/69/64/10/520696410.db2.gz ZOPRHVAZXKJNPL-UHFFFAOYSA-N 1 0 285.775 2.155 10 30 CEEERO CC[NH+](CC)[C@H]1CCN(C[C@](C#N)(NC(C)C)C2CC2)C1 ZINC000069083274 520873807 /nfs/dbraw/zinc/87/38/07/520873807.db2.gz JHVBHPYIEQIKGR-IRXDYDNUSA-N 1 0 292.471 2.073 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1sccc1C#CC[NH3+] ZINC000069461735 521301752 /nfs/dbraw/zinc/30/17/52/521301752.db2.gz DVTDPCGIYZQOTI-UHFFFAOYSA-N 1 0 264.394 2.319 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1c1nc2c(cc1C#N)CCCC2 ZINC000063169434 522081643 /nfs/dbraw/zinc/08/16/43/522081643.db2.gz GFXHPKWZDAMJAY-OAHLLOKOSA-N 1 0 284.407 2.410 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061615572 522112319 /nfs/dbraw/zinc/11/23/19/522112319.db2.gz ATRZUSRFYAUKQM-ZBFHGGJFSA-N 1 0 285.391 2.236 10 30 CEEERO CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000049105838 522293105 /nfs/dbraw/zinc/29/31/05/522293105.db2.gz RIKVLAQMRXQGFH-VXGBXAGGSA-N 1 0 276.355 2.300 10 30 CEEERO CN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[NH2+]CC1 ZINC000226459643 523883220 /nfs/dbraw/zinc/88/32/20/523883220.db2.gz GTJBQGHLHQZSAE-AWEZNQCLSA-N 1 0 272.352 2.164 10 30 CEEERO CC[C@H](C)[NH+]1CCN(CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000055070158 523953151 /nfs/dbraw/zinc/95/31/51/523953151.db2.gz UNZLFSIFHJTRMF-DLBZAZTESA-N 1 0 294.487 2.463 10 30 CEEERO C[N@@H+]1CC[C@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000068770223 523989611 /nfs/dbraw/zinc/98/96/11/523989611.db2.gz XBQDOHIKQIFHNF-LBPRGKRZSA-N 1 0 252.321 2.222 10 30 CEEERO C[NH+](C)CCCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000045598221 524052835 /nfs/dbraw/zinc/05/28/35/524052835.db2.gz WNURWBSEYLARAU-UHFFFAOYSA-N 1 0 262.313 2.220 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@H]2C[NH+](C)C)n1 ZINC000061645979 524213337 /nfs/dbraw/zinc/21/33/37/524213337.db2.gz BGBRSSALOFFOFH-ZDUSSCGKSA-N 1 0 258.369 2.101 10 30 CEEERO N#Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000051359108 526654057 /nfs/dbraw/zinc/65/40/57/526654057.db2.gz HPRAQCYMGATMJY-LSDHHAIUSA-N 1 0 284.363 2.307 10 30 CEEERO N#Cc1ncccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000061658005 526789604 /nfs/dbraw/zinc/78/96/04/526789604.db2.gz BTLIZDMDRNTDGF-UHFFFAOYSA-N 1 0 282.303 2.194 10 30 CEEERO COc1ccc(NC(=[NH2+])N[C@H]2C[C@H]2C)cc1Cl ZINC000262022067 629448686 /nfs/dbraw/zinc/44/86/86/629448686.db2.gz YFQQUWWLPBFDLE-XCBNKYQSSA-N 1 0 253.733 2.484 10 30 CEEERO CCCN(c1nc(Cl)c(C#N)s1)[C@@H]1CC[NH2+]C1 ZINC000233048494 641301015 /nfs/dbraw/zinc/30/10/15/641301015.db2.gz IEJNNZKQABHKPR-MRVPVSSYSA-N 1 0 270.789 2.246 10 30 CEEERO N#Cc1cc(F)c(N[C@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000133698507 652705338 /nfs/dbraw/zinc/70/53/38/652705338.db2.gz PACRULXZGYJBDX-CABZTGNLSA-N 1 0 251.280 2.376 10 30 CEEERO C=CCC[C@H](O)C[N@@H+](CCOC)Cc1cccc(OC)c1 ZINC000036100154 361827851 /nfs/dbraw/zinc/82/78/51/361827851.db2.gz XFZCQMWZBJNDLF-INIZCTEOSA-N 1 0 293.407 2.471 10 30 CEEERO C[C@H](Nc1cccc(C#N)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000126620739 187252694 /nfs/dbraw/zinc/25/26/94/187252694.db2.gz NRRPFFUGYKSIQI-JQWIXIFHSA-N 1 0 274.324 2.266 10 30 CEEERO COc1cc([C@@H](C#N)CC[NH+](C)C)cc(OC)c1OC ZINC000034504538 343420149 /nfs/dbraw/zinc/42/01/49/343420149.db2.gz ITUCQVABRZQPLR-LLVKDONJSA-N 1 0 278.352 2.271 10 30 CEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000123990165 344312774 /nfs/dbraw/zinc/31/27/74/344312774.db2.gz YKCIRPJRSJEIIQ-ZIAGYGMSSA-N 1 0 263.385 2.061 10 30 CEEERO C#C[C@H]([NH2+]C)c1cccc(I)c1 ZINC000130267175 344351539 /nfs/dbraw/zinc/35/15/39/344351539.db2.gz VKQLYRJOUHHOFE-JTQLQIEISA-N 1 0 271.101 2.185 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000156544533 344442422 /nfs/dbraw/zinc/44/24/22/344442422.db2.gz IBXAXLIDWZOESI-ZANVPECISA-N 1 0 299.296 2.129 10 30 CEEERO C[C@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179547260 344505189 /nfs/dbraw/zinc/50/51/89/344505189.db2.gz INRAJDPFRJSOGC-GDBMZVCRSA-N 1 0 285.391 2.257 10 30 CEEERO C=C(Br)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000050033887 362391813 /nfs/dbraw/zinc/39/18/13/362391813.db2.gz OLPKODHSPHOQTI-LLVKDONJSA-N 1 0 259.191 2.065 10 30 CEEERO C#CC[C@@H]([NH3+])c1ccccc1I ZINC000168644268 344480481 /nfs/dbraw/zinc/48/04/81/344480481.db2.gz NGBRPWNIARABIL-SNVBAGLBSA-N 1 0 271.101 2.314 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccnc(C#N)c1 ZINC000251755339 344637446 /nfs/dbraw/zinc/63/74/46/344637446.db2.gz LMXYIOCQBKUJEI-BBRMVZONSA-N 1 0 270.380 2.012 10 30 CEEERO Cc1cccc2cc(C=NNC(N)=[NH2+])c(Cl)nc12 ZINC000252446730 344639266 /nfs/dbraw/zinc/63/92/66/344639266.db2.gz AKHMFDFGGRSBGN-UHFFFAOYSA-N 1 0 261.716 2.014 10 30 CEEERO CCC[C@@H]1C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000300582430 344700508 /nfs/dbraw/zinc/70/05/08/344700508.db2.gz LCXHDMYUCXGAFO-HIFRSBDPSA-N 1 0 292.404 2.110 10 30 CEEERO Cc1ccccc1NC(=NC#N)N1CC[NH2+]C[C@H]1C(C)C ZINC000584620661 344966864 /nfs/dbraw/zinc/96/68/64/344966864.db2.gz QODQPVSVQSPAML-HNNXBMFYSA-N 1 0 285.395 2.174 10 30 CEEERO CC[NH+]1CCC(Nc2cc(C)nc(C)c2C#N)CC1 ZINC000127360679 187299603 /nfs/dbraw/zinc/29/96/03/187299603.db2.gz AVFIOQCZBOUDSC-UHFFFAOYSA-N 1 0 258.369 2.466 10 30 CEEERO CC(C)(C#N)CC[NH+]1CCN(c2ccccc2N)CC1 ZINC000087592347 534989170 /nfs/dbraw/zinc/98/91/70/534989170.db2.gz RDMVLBFTQZQJGM-UHFFFAOYSA-N 1 0 272.396 2.331 10 30 CEEERO C=CCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000085527584 179091057 /nfs/dbraw/zinc/09/10/57/179091057.db2.gz MJBBECCXHKUBAC-IRXDYDNUSA-N 1 0 256.393 2.468 10 30 CEEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000600958794 346717985 /nfs/dbraw/zinc/71/79/85/346717985.db2.gz LEPANZWSDNCYJB-GFCCVEGCSA-N 1 0 274.324 2.174 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000336818704 365863105 /nfs/dbraw/zinc/86/31/05/365863105.db2.gz WPPVSIFSFBVWRV-SNVBAGLBSA-N 1 0 262.313 2.396 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1CCCC[C@H]1[NH3+] ZINC000085920748 179200533 /nfs/dbraw/zinc/20/05/33/179200533.db2.gz AGCYEKCVSBSDHN-YPMHNXCESA-N 1 0 267.336 2.183 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2cc(F)ccc2C#CC[NH3+])[C@@H]1C ZINC000086081146 179227622 /nfs/dbraw/zinc/22/76/22/179227622.db2.gz CVAKZXXMOYJEQX-HSMVNMDESA-N 1 0 288.366 2.300 10 30 CEEERO C[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N(C)C ZINC000086037355 179221472 /nfs/dbraw/zinc/22/14/72/179221472.db2.gz QOGFCPSXUZLAKH-JEYLPNPQSA-N 1 0 257.381 2.150 10 30 CEEERO C#CCN1C[C@H](Cc2ccccc2)[NH2+]C[C@H]1C(C)C ZINC000086171769 179243856 /nfs/dbraw/zinc/24/38/56/179243856.db2.gz PJBLTEVLCXCDSZ-IRXDYDNUSA-N 1 0 256.393 2.161 10 30 CEEERO C#CCCN1C[C@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000086266913 179262356 /nfs/dbraw/zinc/26/23/56/179262356.db2.gz IXHUVNGBBSVWIB-IAGOWNOFSA-N 1 0 254.377 2.435 10 30 CEEERO C=C(Br)COc1ccc(C[NH2+]CC)nc1 ZINC000086790971 179334994 /nfs/dbraw/zinc/33/49/94/179334994.db2.gz DGKHTJVQUKIYJU-UHFFFAOYSA-N 1 0 271.158 2.479 10 30 CEEERO COc1ccccc1N[C@@]1(C#N)CCC[N@H+](C)CC1 ZINC000086819712 179348219 /nfs/dbraw/zinc/34/82/19/179348219.db2.gz SYLGXFRBFYZVSY-HNNXBMFYSA-N 1 0 259.353 2.485 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088277398 179574480 /nfs/dbraw/zinc/57/44/80/179574480.db2.gz HPJMSWARQVGQRF-OLZOCXBDSA-N 1 0 253.390 2.006 10 30 CEEERO N#CCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089389741 179778842 /nfs/dbraw/zinc/77/88/42/179778842.db2.gz ZTOAZOZVNNGMFW-WFASDCNBSA-N 1 0 287.363 2.293 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CCC[C@@H]1C[NH3+] ZINC000089538934 179814101 /nfs/dbraw/zinc/81/41/01/179814101.db2.gz GNFJJODIBPFAFI-GHMZBOCLSA-N 1 0 275.308 2.220 10 30 CEEERO C[C@@H]([NH3+])CCSCC(=O)N(CC#N)c1ccccc1 ZINC000090346427 179970804 /nfs/dbraw/zinc/97/08/04/179970804.db2.gz UODDQOBYONFHMC-GFCCVEGCSA-N 1 0 277.393 2.014 10 30 CEEERO C[C@@H]([NH3+])Cc1ccn(Cc2cc(C#N)ccc2F)c1 ZINC000091005968 180084645 /nfs/dbraw/zinc/08/46/45/180084645.db2.gz QQWYEECGUAEBJW-LLVKDONJSA-N 1 0 257.312 2.437 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432835 180153523 /nfs/dbraw/zinc/15/35/23/180153523.db2.gz KLCOOPLBMVIEIH-JYJNAYRXSA-N 1 0 280.460 2.071 10 30 CEEERO C[NH2+]CC1CC(OCc2ccc(OC)c(C#N)c2)C1 ZINC000091474333 180165123 /nfs/dbraw/zinc/16/51/23/180165123.db2.gz YHNOGPHRCAJUNR-UHFFFAOYSA-N 1 0 260.337 2.081 10 30 CEEERO CSC1(C#N)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000091477458 180166332 /nfs/dbraw/zinc/16/63/32/180166332.db2.gz VATHYZLELPOTDZ-AWEZNQCLSA-N 1 0 276.405 2.441 10 30 CEEERO C=CCN(CC=C)c1cncc(C[NH2+]CC(C)C)n1 ZINC000091418237 180150265 /nfs/dbraw/zinc/15/02/65/180150265.db2.gz ZXSYXJDGGVTYKT-UHFFFAOYSA-N 1 0 260.385 2.401 10 30 CEEERO C=C(CC)C[C@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612643 180207157 /nfs/dbraw/zinc/20/71/57/180207157.db2.gz NGKWRLYHVRFGET-GJZGRUSLSA-N 1 0 254.418 2.432 10 30 CEEERO Cc1ccc(C#N)c(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091670597 180224060 /nfs/dbraw/zinc/22/40/60/180224060.db2.gz KYCFMSZCDMBRNN-CABCVRRESA-N 1 0 271.364 2.142 10 30 CEEERO CC1CCC(C#N)([C@](C)(O)[C@H]2CCC[NH2+]C2)CC1 ZINC000091879218 180279284 /nfs/dbraw/zinc/27/92/84/180279284.db2.gz ATWBWTJLOIFYSV-RAFNIBEQSA-N 1 0 250.386 2.457 10 30 CEEERO C[C@](O)([C@H]1CCC[NH2+]C1)[C@]1(C#N)CCc2ccccc21 ZINC000091879227 180279443 /nfs/dbraw/zinc/27/94/43/180279443.db2.gz GIKGZPRCUSBORL-XIRDDKMYSA-N 1 0 270.376 2.145 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C#N)cc1Br ZINC000092133522 180331170 /nfs/dbraw/zinc/33/11/70/180331170.db2.gz PNGSWBYIDWTOHY-MRVPVSSYSA-N 1 0 296.168 2.115 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000092208406 180344815 /nfs/dbraw/zinc/34/48/15/180344815.db2.gz JQGMAYMIJQEXRE-WPRPVWTQSA-N 1 0 295.264 2.419 10 30 CEEERO Cc1cc(NS(=O)(=O)Cc2ccccc2C#N)cc[nH+]1 ZINC000092350076 180368390 /nfs/dbraw/zinc/36/83/90/180368390.db2.gz LSQFSTIDAMFCBQ-UHFFFAOYSA-N 1 0 287.344 2.204 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000092474601 180393902 /nfs/dbraw/zinc/39/39/02/180393902.db2.gz SKFBZNZMLRTJPT-SNVBAGLBSA-N 1 0 268.307 2.260 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 ZINC000092474703 180393929 /nfs/dbraw/zinc/39/39/29/180393929.db2.gz JVNJWVZAFYGUNO-UHFFFAOYSA-N 1 0 276.424 2.437 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000092473943 180394194 /nfs/dbraw/zinc/39/41/94/180394194.db2.gz ADEWQEKZTSYNAB-NSHDSACASA-N 1 0 264.394 2.361 10 30 CEEERO C=CC[NH2+]CC(=O)NCc1ccccc1C(F)(F)F ZINC000092475756 180394203 /nfs/dbraw/zinc/39/42/03/180394203.db2.gz XJXSQQOZQQEILR-UHFFFAOYSA-N 1 0 272.270 2.097 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2cnccn2)s1 ZINC000110914132 186332904 /nfs/dbraw/zinc/33/29/04/186332904.db2.gz LSEDSGOQYRTJDP-UHFFFAOYSA-N 1 0 261.375 2.141 10 30 CEEERO C#CCNC(=O)COc1cc(C)ccc1[C@@H](C)[NH2+]CCC ZINC000110961825 186337849 /nfs/dbraw/zinc/33/78/49/186337849.db2.gz DKKUGWXJLYDBDK-CQSZACIVSA-N 1 0 288.391 2.184 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[NH2+]C[C@H]1C ZINC000111268830 186383999 /nfs/dbraw/zinc/38/39/99/186383999.db2.gz GRHBXRJAOXCNEY-CJNGLKHVSA-N 1 0 285.391 2.152 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1nc2c(cc1C#N)CCCC2 ZINC000216227301 291122311 /nfs/dbraw/zinc/12/23/11/291122311.db2.gz BLMIRMSAJULAKY-NWDGAFQWSA-N 1 0 270.380 2.006 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000177116897 189029998 /nfs/dbraw/zinc/02/99/98/189029998.db2.gz HHWDDTPNVMXVIA-QWHCGFSZSA-N 1 0 289.404 2.319 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc(C#N)c1 ZINC000083550986 363779375 /nfs/dbraw/zinc/77/93/75/363779375.db2.gz WZHXGNMVPYZCIE-GOEBONIOSA-N 1 0 285.391 2.106 10 30 CEEERO Cc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)c(C#N)c(C)n1 ZINC000301786000 201195361 /nfs/dbraw/zinc/19/53/61/201195361.db2.gz PASSOXYLIZZELS-ZDUSSCGKSA-N 1 0 258.369 2.465 10 30 CEEERO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1CCCO ZINC000085148894 363831339 /nfs/dbraw/zinc/83/13/39/363831339.db2.gz KJMPBJVTBYEXAW-HNNXBMFYSA-N 1 0 262.328 2.434 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C#N)cc1 ZINC000092630762 364090697 /nfs/dbraw/zinc/09/06/97/364090697.db2.gz SHJUTVBSHSGZGE-OAHLLOKOSA-N 1 0 271.364 2.115 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460715 364276108 /nfs/dbraw/zinc/27/61/08/364276108.db2.gz RQJVQGYXUGEAMS-STQMWFEESA-N 1 0 263.385 2.011 10 30 CEEERO N#Cc1ccccc1C[C@H]1COCC[C@@H]1[NH2+]C1CC1 ZINC000095077182 364333149 /nfs/dbraw/zinc/33/31/49/364333149.db2.gz DXFGLRCTCIPLET-HOCLYGCPSA-N 1 0 256.349 2.258 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(C#N)cc1Br ZINC000214316398 189690354 /nfs/dbraw/zinc/69/03/54/189690354.db2.gz ALSIMMJSJKEVID-KOLCDFICSA-N 1 0 294.196 2.494 10 30 CEEERO C#CCCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000120230823 365392537 /nfs/dbraw/zinc/39/25/37/365392537.db2.gz HTIQCGPAJMWKTO-HUUCEWRRSA-N 1 0 262.397 2.265 10 30 CEEERO Cc1cc(C#N)cc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000161093756 367056730 /nfs/dbraw/zinc/05/67/30/367056730.db2.gz OKRULNDUFUXAPS-DZGCQCFKSA-N 1 0 270.380 2.325 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC000172054775 367665570 /nfs/dbraw/zinc/66/55/70/367665570.db2.gz OTEMZZVHMOTQQZ-HNNXBMFYSA-N 1 0 266.348 2.281 10 30 CEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@H]1C)C(C)C ZINC000246151209 370915808 /nfs/dbraw/zinc/91/58/08/370915808.db2.gz SYPHLZYVAJQXRV-QLFBSQMISA-N 1 0 279.428 2.393 10 30 CEEERO CCCC(=O)N[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191981902 369759891 /nfs/dbraw/zinc/75/98/91/369759891.db2.gz NUPGCQPJFLBWTQ-QGZVFWFLSA-N 1 0 284.403 2.419 10 30 CEEERO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1C#N ZINC000230664291 370462759 /nfs/dbraw/zinc/46/27/59/370462759.db2.gz NCWSEDLPDHDTST-UKRRQHHQSA-N 1 0 274.364 2.208 10 30 CEEERO CC[N@@H+]1CC[C@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000389126200 375298252 /nfs/dbraw/zinc/29/82/52/375298252.db2.gz DCXWDHLTIFZECP-NSHDSACASA-N 1 0 267.336 2.008 10 30 CEEERO C=CCC(C)(C)C[NH2+]C[C@H](O)COCc1ccco1 ZINC000389070005 375298627 /nfs/dbraw/zinc/29/86/27/375298627.db2.gz WIIMBLPPIPWECV-ZDUSSCGKSA-N 1 0 267.369 2.349 10 30 CEEERO Cc1nc(N[C@@H](C)CCC[NH3+])c(Cl)cc1C#N ZINC000310545517 376626862 /nfs/dbraw/zinc/62/68/62/376626862.db2.gz SEQHNVQPBRIYHH-QMMMGPOBSA-N 1 0 252.749 2.454 10 30 CEEERO C[C@@H]([NH3+])C[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000320699982 376827058 /nfs/dbraw/zinc/82/70/58/376827058.db2.gz RRXWWLIMYPUBNS-ZJUUUORDSA-N 1 0 255.325 2.039 10 30 CEEERO COC1CC[NH+](CC[C@@H]2CCC[C@]2(C#N)NC2CC2)CC1 ZINC000093554350 184690057 /nfs/dbraw/zinc/69/00/57/184690057.db2.gz RIKVOXYHMIKQCJ-WMLDXEAASA-N 1 0 291.439 2.302 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+]CC1(CC(C)C)CCCC1 ZINC000094879266 184886612 /nfs/dbraw/zinc/88/66/12/184886612.db2.gz QNRCMYNEODWKHY-CQSZACIVSA-N 1 0 264.413 2.320 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)n1ccnc1C#N ZINC000094936561 184896123 /nfs/dbraw/zinc/89/61/23/184896123.db2.gz VNSMAGUUEGZPPD-GXTWGEPZSA-N 1 0 258.300 2.221 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1cccc(OC)c1)n1ccnc1C#N ZINC000094936705 184896436 /nfs/dbraw/zinc/89/64/36/184896436.db2.gz BKANLAAHHKNPSZ-UKRRQHHQSA-N 1 0 270.336 2.090 10 30 CEEERO CC#CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246659359 131096075 /nfs/dbraw/zinc/09/60/75/131096075.db2.gz KQQBFIZJUMXMOG-FZMZJTMJSA-N 1 0 251.276 2.096 10 30 CEEERO C/C(=N\OCC(=O)OCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000038807192 394499173 /nfs/dbraw/zinc/49/91/73/394499173.db2.gz TXUGZLRUFAAHAO-LFIBNONCSA-N 1 0 298.770 2.185 10 30 in-man CEEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC[NH2+]1 ZINC000052783380 394558285 /nfs/dbraw/zinc/55/82/85/394558285.db2.gz RCJGRDLUAPGJAC-VIFPVBQESA-N 1 0 269.270 2.375 10 30 CEEERO CC[N@@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000413566371 394585999 /nfs/dbraw/zinc/58/59/99/394585999.db2.gz JBFPDOATBWJXHI-LBPRGKRZSA-N 1 0 274.324 2.281 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H]([NH3+])C1 ZINC000050244072 394555092 /nfs/dbraw/zinc/55/50/92/394555092.db2.gz RXNVKNWKZMPKCX-JTQLQIEISA-N 1 0 255.243 2.114 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000173897234 395116765 /nfs/dbraw/zinc/11/67/65/395116765.db2.gz TWTOLTGKMYIDEN-AWEZNQCLSA-N 1 0 290.436 2.462 10 30 CEEERO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000533081571 395461102 /nfs/dbraw/zinc/46/11/02/395461102.db2.gz FNUDZDMEZWKVED-HIFRSBDPSA-N 1 0 269.348 2.371 10 30 CEEERO CCN(CC)S(=O)(=O)c1ccc(C)c(/[NH+]=C/N(C)C)c1 ZINC000005943790 170159925 /nfs/dbraw/zinc/15/99/25/170159925.db2.gz FKSVEKPLRFAESL-RVDMUPIBSA-N 1 0 297.424 2.247 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)C[NH2+]C(C)C)cc1 ZINC000037495713 173234790 /nfs/dbraw/zinc/23/47/90/173234790.db2.gz NDEUBUJMNMQFSZ-UHFFFAOYSA-N 1 0 276.380 2.208 10 30 CEEERO [NH3+]CC#Cc1cnc(NC(=O)c2ccc(Cl)cc2)s1 ZINC000037550676 173268883 /nfs/dbraw/zinc/26/88/83/173268883.db2.gz DTIUYKMFVTTXBX-UHFFFAOYSA-N 1 0 291.763 2.359 10 30 CEEERO N#Cc1cccc(NC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040749783 174394444 /nfs/dbraw/zinc/39/44/44/174394444.db2.gz OHEXCTVGHSQACV-QXMXGUDHSA-N 1 0 270.336 2.044 10 30 CEEERO C=CCC1(NC(=O)C[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000662889244 414790403 /nfs/dbraw/zinc/79/04/03/414790403.db2.gz UNWSCRXBWWSCJY-ZDUSSCGKSA-N 1 0 250.386 2.381 10 30 CEEERO CCCCN(C(=O)c1cncc(C#CC[NH3+])c1)[C@H](C)CC ZINC000042613218 174825870 /nfs/dbraw/zinc/82/58/70/174825870.db2.gz DVTHRDSJUQLDME-CQSZACIVSA-N 1 0 287.407 2.433 10 30 CEEERO COc1ccccc1[C@H]([C@@H](C)[NH3+])N(CCC#N)C1CC1 ZINC000043098449 174966489 /nfs/dbraw/zinc/96/64/89/174966489.db2.gz OLRNSTZVMTUHGB-WBMJQRKESA-N 1 0 273.380 2.462 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043349278 175019276 /nfs/dbraw/zinc/01/92/76/175019276.db2.gz NIYCADBAJUGGOS-ZBEGNZNMSA-N 1 0 283.331 2.429 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1ccc(CC#N)cc1)C(F)(F)F ZINC000043383444 175031394 /nfs/dbraw/zinc/03/13/94/175031394.db2.gz AAQKZELMCPIKKQ-GZMMTYOYSA-N 1 0 258.243 2.410 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385165 175031617 /nfs/dbraw/zinc/03/16/17/175031617.db2.gz HYIXJCIMPXJYDF-QUBYGPBYSA-N 1 0 262.206 2.354 10 30 CEEERO C=CCNC(=O)COc1ccc2c(c1)CCC[C@H]2[NH2+]CC ZINC000044745551 175241825 /nfs/dbraw/zinc/24/18/25/175241825.db2.gz NFLRGRSXAHPMTF-MRXNPFEDSA-N 1 0 288.391 2.355 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045181886 175324993 /nfs/dbraw/zinc/32/49/93/175324993.db2.gz OFECKOZMRNYXAG-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CC(C)CN(CC[NH+](C)C)CC[C@](C)(C#N)NC(C)C ZINC000045181795 175325194 /nfs/dbraw/zinc/32/51/94/175325194.db2.gz UWFIXWBBNMULKN-MRXNPFEDSA-N 1 0 282.476 2.176 10 30 CEEERO COCC[N@H+](CC[C@](C)(C#N)NC(C)C)CC(C)C ZINC000045182039 175325385 /nfs/dbraw/zinc/32/53/85/175325385.db2.gz WKUVXRVZEAKFHH-OAHLLOKOSA-N 1 0 269.433 2.261 10 30 CEEERO CCN[C@@](C)(C#N)CC[N@H+](CCOC)C(CC)CC ZINC000045183101 175325632 /nfs/dbraw/zinc/32/56/32/175325632.db2.gz MCAJSTYNAADGIR-OAHLLOKOSA-N 1 0 269.433 2.405 10 30 CEEERO CCCN[C@@](C)(C#N)CCCCN1CC[NH+](CC)CC1 ZINC000045306537 175355391 /nfs/dbraw/zinc/35/53/91/175355391.db2.gz SBZTYLODVIAOPI-MRXNPFEDSA-N 1 0 280.460 2.076 10 30 CEEERO CCCN[C@@](C)(C#N)CCCCN1CC[NH+](CCC)CC1 ZINC000045306468 175355833 /nfs/dbraw/zinc/35/58/33/175355833.db2.gz MRIZNAFTFGTWLO-QGZVFWFLSA-N 1 0 294.487 2.466 10 30 CEEERO CCO[C@H]1CCC[N@H+](CCCC[C@@](C)(C#N)NC)C1 ZINC000045320634 175359237 /nfs/dbraw/zinc/35/92/37/175359237.db2.gz JMNJWNBZIRRRQT-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658239201 415270071 /nfs/dbraw/zinc/27/00/71/415270071.db2.gz BUVFONSXNZXFCG-MGPQQGTHSA-N 1 0 250.386 2.189 10 30 CEEERO CCC[C@H](C)C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586579 175489671 /nfs/dbraw/zinc/48/96/71/175489671.db2.gz AKMGKOMHOPTGGQ-AWEZNQCLSA-N 1 0 272.392 2.391 10 30 CEEERO CCC[NH2+][C@@H]1CCCN(Cc2cccc(C#N)c2)C1=O ZINC000071041765 176028153 /nfs/dbraw/zinc/02/81/53/176028153.db2.gz AJAZCTUHHWZKBD-OAHLLOKOSA-N 1 0 271.364 2.049 10 30 CEEERO COCCN(CCC#N)[C@@H](C[NH3+])c1ccccc1Cl ZINC000071222333 176087762 /nfs/dbraw/zinc/08/77/62/176087762.db2.gz CCDLQBWAXNZSJV-AWEZNQCLSA-N 1 0 281.787 2.202 10 30 CEEERO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1CCCO ZINC000071264628 176097991 /nfs/dbraw/zinc/09/79/91/176097991.db2.gz LWFSQBWNYTZPPT-OAHLLOKOSA-N 1 0 262.328 2.434 10 30 CEEERO C[C@@H](c1ccc(C#CC[NH3+])cc1)N1CCCCCC1=O ZINC000071278325 176107878 /nfs/dbraw/zinc/10/78/78/176107878.db2.gz GIAVFEYHGIVZRR-AWEZNQCLSA-N 1 0 270.376 2.460 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1F)[C@H]1CC[NH2+]C1 ZINC000071331006 176124795 /nfs/dbraw/zinc/12/47/95/176124795.db2.gz NABDPZHPPGXYEV-AWEZNQCLSA-N 1 0 261.344 2.271 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000071412109 176157682 /nfs/dbraw/zinc/15/76/82/176157682.db2.gz WGOQVMJLOKOIGT-UKRRQHHQSA-N 1 0 290.407 2.344 10 30 CEEERO C[C@@H](C[NH+]1CCCCCC1)NC(=O)COc1cnn(C)c1 ZINC000328655091 263833650 /nfs/dbraw/zinc/83/36/50/263833650.db2.gz MKYVPJBRYCLLCO-ZDUSSCGKSA-N 1 0 294.399 2.020 10 30 CEEERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000123189522 268005352 /nfs/dbraw/zinc/00/53/52/268005352.db2.gz BEGOIELYDUKUFR-GUYCJALGSA-N 1 0 285.391 2.454 10 30 CEEERO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398976086 270364839 /nfs/dbraw/zinc/36/48/39/270364839.db2.gz CJUYWBGFXQJDDV-JGGQBBKZSA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000133708691 274360746 /nfs/dbraw/zinc/36/07/46/274360746.db2.gz RXIWWPMBWKQHIG-PELKAZGASA-N 1 0 251.280 2.010 10 30 CEEERO N#Cc1cc(N[C@@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068771193 274920980 /nfs/dbraw/zinc/92/09/80/274920980.db2.gz NETXHKAZLZXKCC-GFCCVEGCSA-N 1 0 252.321 2.270 10 30 CEEERO CC[NH2+]CC1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000262090348 276264423 /nfs/dbraw/zinc/26/44/23/276264423.db2.gz HXQBPFKQCJICBM-UHFFFAOYSA-N 1 0 295.390 2.327 10 30 CEEERO Cc1nc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000261594332 281934587 /nfs/dbraw/zinc/93/45/87/281934587.db2.gz NLZKUFONIBXJDT-SKDRFNHKSA-N 1 0 278.787 2.336 10 30 CEEERO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000157455420 301334689 /nfs/dbraw/zinc/33/46/89/301334689.db2.gz AKWREHYUYGDOFZ-CYBMUJFWSA-N 1 0 258.369 2.101 10 30 CEEERO C=CCOCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000339154746 327008198 /nfs/dbraw/zinc/00/81/98/327008198.db2.gz LTOVRVOPMZWATE-RRFJBIMHSA-N 1 0 253.386 2.205 10 30 CEEERO COC[C@H](C)NC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261977663 329993399 /nfs/dbraw/zinc/99/33/99/329993399.db2.gz GSDHAKDVNNZTJY-LURJTMIESA-N 1 0 296.223 2.494 10 30 CEEERO [NH2+]=C(NC1CC1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262399349 330008160 /nfs/dbraw/zinc/00/81/60/330008160.db2.gz UIQDAECSAXNFPE-GZMMTYOYSA-N 1 0 267.735 2.402 10 30 CEEERO C[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262476054 330016130 /nfs/dbraw/zinc/01/61/30/330016130.db2.gz ZTYNPBHHRGZAHK-BFHYXJOUSA-N 1 0 279.428 2.155 10 30 CEEERO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000262656226 330024821 /nfs/dbraw/zinc/02/48/21/330024821.db2.gz KNKQVVJVBGRGOU-SGIREYDYSA-N 1 0 275.396 2.428 10 30 CEEERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[C@H]2C(F)(F)F)N1 ZINC000262672176 330025956 /nfs/dbraw/zinc/02/59/56/330025956.db2.gz ROGAAGURBOAIFP-KXUCPTDWSA-N 1 0 263.307 2.292 10 30 CEEERO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000262685964 330026911 /nfs/dbraw/zinc/02/69/11/330026911.db2.gz AONYYARBGLGKBC-BFHYXJOUSA-N 1 0 259.353 2.289 10 30 CEEERO [NH2+]=C(NC1CC1)N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262698102 330027814 /nfs/dbraw/zinc/02/78/14/330027814.db2.gz FKGDTNOUPAWTJG-GMZHKTEUSA-N 1 0 265.307 2.278 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000579693324 335866437 /nfs/dbraw/zinc/86/64/37/335866437.db2.gz SPKNOCUGSLKVLV-MRXNPFEDSA-N 1 0 270.380 2.150 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616497 519739276 /nfs/dbraw/zinc/73/92/76/519739276.db2.gz JWPOIKHWCYVNSE-PMPSAXMXSA-N 1 0 281.444 2.404 10 30 CEEERO CC[NH2+]C(C)(C)C(=O)N(C)Cc1cc(C#N)ccc1F ZINC000061295225 519903213 /nfs/dbraw/zinc/90/32/13/519903213.db2.gz HGBKYMDSJIQOJG-UHFFFAOYSA-N 1 0 277.343 2.044 10 30 CEEERO CC[NH2+]C(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061298803 519907839 /nfs/dbraw/zinc/90/78/39/519907839.db2.gz SBVJEQFDHXOTGF-UHFFFAOYSA-N 1 0 277.393 2.435 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N(CCC)CC[NH+](C)C ZINC000068613893 520102746 /nfs/dbraw/zinc/10/27/46/520102746.db2.gz ZBNHLNQOSYGLOU-HOTGVXAUSA-N 1 0 282.476 2.320 10 30 CEEERO C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1 ZINC000070191670 517969561 /nfs/dbraw/zinc/96/95/61/517969561.db2.gz WPMDAMLZTWLTLY-OAHLLOKOSA-N 1 0 271.364 2.162 10 30 CEEERO CCCO[C@H]1CCC[N@H+](CC[C@@H](C#N)NC(C)C)C1 ZINC000062437893 520284761 /nfs/dbraw/zinc/28/47/61/520284761.db2.gz GFHXPYGEENLAPK-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CC[NH+](CC)CCCNC(=O)[C@@H](C#N)c1ccccc1 ZINC000061614124 520615845 /nfs/dbraw/zinc/61/58/45/520615845.db2.gz FWAPVQNBIZHRDI-HNNXBMFYSA-N 1 0 273.380 2.142 10 30 CEEERO CC[NH+](CC)CCCNC(=O)[C@H](C#N)c1ccccc1 ZINC000061614125 520617673 /nfs/dbraw/zinc/61/76/73/520617673.db2.gz FWAPVQNBIZHRDI-OAHLLOKOSA-N 1 0 273.380 2.142 10 30 CEEERO CC[NH+](CC)[C@@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000156580023 520849737 /nfs/dbraw/zinc/84/97/37/520849737.db2.gz XBAVEJUOFPTBBT-CQSZACIVSA-N 1 0 272.396 2.491 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443421 521188125 /nfs/dbraw/zinc/18/81/25/521188125.db2.gz CGGSKQGEHDZFGA-ZDUSSCGKSA-N 1 0 288.395 2.034 10 30 CEEERO CCOc1cccc(C[NH2+]CCOC)c1O[C@H](C)C#N ZINC000062732808 521362844 /nfs/dbraw/zinc/36/28/44/521362844.db2.gz OBULQWUYVUZGCD-GFCCVEGCSA-N 1 0 278.352 2.112 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062895264 521681762 /nfs/dbraw/zinc/68/17/62/521681762.db2.gz UBDBFDCVRRHVLY-KRWDZBQOSA-N 1 0 285.391 2.296 10 30 CEEERO C[NH2+]Cc1ccc(OCc2cccnc2C#N)c(OC)c1 ZINC000061656485 522122809 /nfs/dbraw/zinc/12/28/09/522122809.db2.gz RXNLUONDBIUFJE-UHFFFAOYSA-N 1 0 283.331 2.260 10 30 CEEERO C[NH2+]Cc1cccc(OC)c1OCc1ccnc(C#N)c1 ZINC000068749580 522130180 /nfs/dbraw/zinc/13/01/80/522130180.db2.gz FYMCAGBZNFPESH-UHFFFAOYSA-N 1 0 283.331 2.260 10 30 CEEERO C[NH2+][C@@H]1COc2cc(OCc3ccnc(C#N)c3)ccc21 ZINC000068750810 522401152 /nfs/dbraw/zinc/40/11/52/522401152.db2.gz PFQVIBQFFIIEDD-OAHLLOKOSA-N 1 0 281.315 2.185 10 30 CEEERO CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C(C)C ZINC000049129745 522630626 /nfs/dbraw/zinc/63/06/26/522630626.db2.gz KVIRQUVMJQVDFB-HOCLYGCPSA-N 1 0 276.380 2.322 10 30 CEEERO CN(c1ccc(C#N)cc1)[C@H](C[NH3+])c1cccnc1 ZINC000061949963 523634198 /nfs/dbraw/zinc/63/41/98/523634198.db2.gz KTRQHOOTHRKQRT-OAHLLOKOSA-N 1 0 252.321 2.089 10 30 CEEERO C[C@@H](CNC(=O)[C@H](C#N)c1ccccc1)C[NH+]1CCCC1 ZINC000062079098 524702066 /nfs/dbraw/zinc/70/20/66/524702066.db2.gz MSYIBWKBXJJROX-GOEBONIOSA-N 1 0 285.391 2.142 10 30 CEEERO C[C@@H]([NH3+])c1cccc(NC(=O)N(C)[C@@H](C)CC#N)c1 ZINC000063098203 525030229 /nfs/dbraw/zinc/03/02/29/525030229.db2.gz BOXATYBBAXBLFV-WDEREUQCSA-N 1 0 260.341 2.472 10 30 CEEERO CSCCC[NH2+]Cc1cccc(OCC#N)c1 ZINC000069432359 525480383 /nfs/dbraw/zinc/48/03/83/525480383.db2.gz JFCXOPZEVMSFRP-UHFFFAOYSA-N 1 0 250.367 2.432 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000070256057 526003463 /nfs/dbraw/zinc/00/34/63/526003463.db2.gz GNDBXAUKNVJDNG-CYBMUJFWSA-N 1 0 269.348 2.195 10 30 CEEERO N#Cc1cc(NC(=O)[C@H](C[NH3+])c2ccccc2)ccc1F ZINC000061613343 526568497 /nfs/dbraw/zinc/56/84/97/526568497.db2.gz CDQYYTNYPRRFJR-CQSZACIVSA-N 1 0 283.306 2.378 10 30 CEEERO N#Cc1ccnc(NCc2ccc(CC[NH3+])cc2)c1 ZINC000052899314 526761033 /nfs/dbraw/zinc/76/10/33/526761033.db2.gz BIWXRKJZANZDQI-UHFFFAOYSA-N 1 0 252.321 2.067 10 30 CEEERO O=C[C@H]1CCC[N@@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727325 527144127 /nfs/dbraw/zinc/14/41/27/527144127.db2.gz SWPKJGPEIIUDMO-LBPRGKRZSA-N 1 0 262.309 2.048 10 30 CEEERO CCO[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C12CCOCC2 ZINC000333733872 528139930 /nfs/dbraw/zinc/13/99/30/528139930.db2.gz UNAMVGRUEDWDMK-KBPBESRZSA-N 1 0 278.396 2.244 10 30 CEEERO CC(C)(CO)[NH2+]Cc1ccc(Br)cc1C#N ZINC000309173586 625294264 /nfs/dbraw/zinc/29/42/64/625294264.db2.gz BENJIKVZXPWBMP-UHFFFAOYSA-N 1 0 283.169 2.181 10 30 CEEERO [NH2+]=C(NC[C@H](O)c1cccc(Cl)c1)NC1CCCC1 ZINC000261727302 629159631 /nfs/dbraw/zinc/15/96/31/629159631.db2.gz GSFDPRBWFIKVFT-ZDUSSCGKSA-N 1 0 281.787 2.220 10 30 CEEERO N#Cc1ccc(NC[C@H]2[NH2+]CCc3ccccc32)cn1 ZINC000261802881 629247658 /nfs/dbraw/zinc/24/76/58/629247658.db2.gz ROAKOIQMUVKWQY-MRXNPFEDSA-N 1 0 264.332 2.252 10 30 CEEERO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)COCCCC ZINC000195170724 629911560 /nfs/dbraw/zinc/91/15/60/629911560.db2.gz GMJPRQQACVKASW-KRWDZBQOSA-N 1 0 293.382 2.439 10 30 CEEERO C=CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000320601148 631052528 /nfs/dbraw/zinc/05/25/28/631052528.db2.gz ACCCPYJBNDBMCR-OLZOCXBDSA-N 1 0 289.297 2.265 10 30 CEEERO COc1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)cc1C#N ZINC000087829121 639763948 /nfs/dbraw/zinc/76/39/48/639763948.db2.gz SADJBDGTANVCPB-CQSZACIVSA-N 1 0 272.348 2.368 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000110651819 643456693 /nfs/dbraw/zinc/45/66/93/643456693.db2.gz HCZZMUCDXKEEDS-SNVBAGLBSA-N 1 0 274.324 2.030 10 30 CEEERO Cc1ccnc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1C#N ZINC000135199890 652947437 /nfs/dbraw/zinc/94/74/37/652947437.db2.gz QTHNJOYUKLQCDQ-HNNXBMFYSA-N 1 0 270.380 2.230 10 30 CEEERO C=C(Br)CN1CCC(C[NH2+]C2CC2)CC1 ZINC000082645754 178141659 /nfs/dbraw/zinc/14/16/59/178141659.db2.gz VEVBLXQYQMTOEL-UHFFFAOYSA-N 1 0 273.218 2.359 10 30 CEEERO CCc1nnc(NC[C@H]2CCCC[NH2+]2)c(C#N)c1CC ZINC000125480344 344319278 /nfs/dbraw/zinc/31/92/78/344319278.db2.gz UKRRKPPXCQYRNO-LLVKDONJSA-N 1 0 273.384 2.027 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C#N)cc1C ZINC000127222351 187290494 /nfs/dbraw/zinc/29/04/94/187290494.db2.gz GHRIZBBYMIUBEO-HNNXBMFYSA-N 1 0 285.391 2.423 10 30 CEEERO C[C@H]([NH3+])CNc1cccc(Br)c1C#N ZINC000165079816 344473643 /nfs/dbraw/zinc/47/36/43/344473643.db2.gz YYQUVTGWRGQSQV-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO Cc1cc(C)c(C#N)c(N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000050163780 362407113 /nfs/dbraw/zinc/40/71/13/362407113.db2.gz QNNANMDKWKBDFL-OLZOCXBDSA-N 1 0 258.369 2.370 10 30 CEEERO C[C@@H]([NH3+])C[C@H](C)Nc1ncc(Br)cc1C#N ZINC000320949435 344752820 /nfs/dbraw/zinc/75/28/20/344752820.db2.gz UNCROSXYYMHJER-SFYZADRCSA-N 1 0 283.173 2.253 10 30 CEEERO CCc1nnc(NCCC2(C[NH3+])CC2)c(C#N)c1CC ZINC000404820348 344882799 /nfs/dbraw/zinc/88/27/99/344882799.db2.gz DCVOHFFWUAOKNN-UHFFFAOYSA-N 1 0 273.384 2.014 10 30 CEEERO CCCCCCCCCC[S@](=O)C[C@@H]([NH3+])CO ZINC000584621204 344967331 /nfs/dbraw/zinc/96/73/31/344967331.db2.gz QHUGVXOVVPYWEC-GUYCJALGSA-N 1 0 263.447 2.195 10 30 CEEERO C=CC[C@@]1([NH3+])c2cc(Br)ccc2N(C)C1=O ZINC000584630987 344969509 /nfs/dbraw/zinc/96/95/09/344969509.db2.gz ZSYYDXOJMXMHLI-GFCCVEGCSA-N 1 0 281.153 2.156 10 30 CEEERO C=CCNC(=O)[C@H](C)Sc1cccc([C@@H](C)[NH3+])c1 ZINC000084122384 178797453 /nfs/dbraw/zinc/79/74/53/178797453.db2.gz HLROIDAZSAMUGC-MNOVXSKESA-N 1 0 264.394 2.489 10 30 CEEERO N#Cc1cc2c(nc1NCC[C@@H]1CC[NH2+]C1)CCCC2 ZINC000110797957 232197325 /nfs/dbraw/zinc/19/73/25/232197325.db2.gz JCERULPZDKURFT-LBPRGKRZSA-N 1 0 270.380 2.244 10 30 CEEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594432801 345628777 /nfs/dbraw/zinc/62/87/77/345628777.db2.gz BWKMLGCWRCLMCB-DGCLKSJQSA-N 1 0 251.374 2.093 10 30 CEEERO N#Cc1cnccc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594692925 345673160 /nfs/dbraw/zinc/67/31/60/345673160.db2.gz GAOMRURMCNHIJU-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1cccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000594695256 345674078 /nfs/dbraw/zinc/67/40/78/345674078.db2.gz AZYMPQFHCCETKZ-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000596029788 345925949 /nfs/dbraw/zinc/92/59/49/345925949.db2.gz AJPOQUKKOXEECO-LLVKDONJSA-N 1 0 262.313 2.252 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336787712 365807329 /nfs/dbraw/zinc/80/73/29/365807329.db2.gz MMDDBPNFNACVIQ-NAKRPEOUSA-N 1 0 262.275 2.378 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368152 179038166 /nfs/dbraw/zinc/03/81/66/179038166.db2.gz LHDNLLZJNJCPHF-HUUCEWRRSA-N 1 0 271.364 2.034 10 30 CEEERO Cc1nc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1C#N ZINC000336816234 365859454 /nfs/dbraw/zinc/85/94/54/365859454.db2.gz LBMFYVUURQFDDN-GFCCVEGCSA-N 1 0 276.771 2.200 10 30 CEEERO C=C(Br)COc1ccc(C)nc1C[NH3+] ZINC000085971949 179207367 /nfs/dbraw/zinc/20/73/67/179207367.db2.gz MPWUUFNFWDCGHP-UHFFFAOYSA-N 1 0 257.131 2.136 10 30 CEEERO CC[N@@H+]1CCC[C@@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000085920130 179199440 /nfs/dbraw/zinc/19/94/40/179199440.db2.gz VDMQNVLFIXZBDY-GFCCVEGCSA-N 1 0 281.363 2.398 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2ccc(F)cc2C#CC[NH3+])CC[C@@H]1C ZINC000086081141 179227362 /nfs/dbraw/zinc/22/73/62/179227362.db2.gz KWKLFJHTTHVLGF-HWWQOWPSSA-N 1 0 288.366 2.300 10 30 CEEERO CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1C ZINC000087748153 179480309 /nfs/dbraw/zinc/48/03/09/179480309.db2.gz JGZSJXKCJWASQC-TZMCWYRMSA-N 1 0 272.392 2.470 10 30 CEEERO C=C(C)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000616572499 348524093 /nfs/dbraw/zinc/52/40/93/348524093.db2.gz WIQOMKNNGGFLNJ-UONOGXRCSA-N 1 0 262.328 2.045 10 30 CEEERO CC(C)CN(CCC#N)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089392638 179779536 /nfs/dbraw/zinc/77/95/36/179779536.db2.gz KGRRKOBQNBWCJZ-KBPBESRZSA-N 1 0 265.401 2.150 10 30 CEEERO CC(C)[NH2+]Cc1cccn1Cc1cccnc1C#N ZINC000091001256 180083359 /nfs/dbraw/zinc/08/33/59/180083359.db2.gz LJERLIYXHQLIPY-UHFFFAOYSA-N 1 0 254.337 2.301 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091432260 180153883 /nfs/dbraw/zinc/15/38/83/180153883.db2.gz OKXITQNLGCZQRZ-IRXDYDNUSA-N 1 0 294.487 2.463 10 30 CEEERO C[C@@H]1CCC[C@H](N(C)C(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091462026 180161824 /nfs/dbraw/zinc/16/18/24/180161824.db2.gz UDVWCARLFMYWAA-HIFRSBDPSA-N 1 0 285.391 2.043 10 30 CEEERO C[C@H]1CCC[C@H](N(C)C(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091462029 180162031 /nfs/dbraw/zinc/16/20/31/180162031.db2.gz UDVWCARLFMYWAA-ZFWWWQNUSA-N 1 0 285.391 2.043 10 30 CEEERO C[C@H](NC(=O)c1ccncc1C#CC[NH3+])C1CCCCC1 ZINC000091462982 180162548 /nfs/dbraw/zinc/16/25/48/180162548.db2.gz IGFHPMBVAOOUSS-ZDUSSCGKSA-N 1 0 285.391 2.090 10 30 CEEERO N#Cc1cccc(-c2csc([C@H]3C[NH2+]CCO3)n2)c1 ZINC000091501744 180175505 /nfs/dbraw/zinc/17/55/05/180175505.db2.gz POGZGCLYQFBBSC-CYBMUJFWSA-N 1 0 271.345 2.343 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000091543530 180185009 /nfs/dbraw/zinc/18/50/09/180185009.db2.gz PKBVQCGFLLREJL-PSASIEDQSA-N 1 0 263.728 2.278 10 30 CEEERO C#Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000104989268 186037946 /nfs/dbraw/zinc/03/79/46/186037946.db2.gz NLNJOIHXIKACNS-MRXNPFEDSA-N 1 0 283.375 2.370 10 30 CEEERO CCCN(c1cc(C#N)ccn1)C1CCC([NH3+])CC1 ZINC000091852749 180272984 /nfs/dbraw/zinc/27/29/84/180272984.db2.gz YSEZERCNXSKACE-UHFFFAOYSA-N 1 0 258.369 2.440 10 30 CEEERO CCCN(c1cccc(C#N)n1)C1CCC([NH3+])CC1 ZINC000091852709 180273055 /nfs/dbraw/zinc/27/30/55/180273055.db2.gz WFYJWYZVQPFUNZ-UHFFFAOYSA-N 1 0 258.369 2.440 10 30 CEEERO C[NH2+]C1CCC(N(C)c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000091873682 180278702 /nfs/dbraw/zinc/27/87/02/180278702.db2.gz AJSJICYZQHVGOO-UHFFFAOYSA-N 1 0 288.351 2.433 10 30 CEEERO C[N@@H+]1CCC[C@](O)([C@]2(C#N)CCOc3ccccc32)CC1 ZINC000091888258 180280650 /nfs/dbraw/zinc/28/06/50/180280650.db2.gz NBWPOYXLIOBWEY-DLBZAZTESA-N 1 0 286.375 2.077 10 30 CEEERO C[C@H](C#N)N1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092260823 180354097 /nfs/dbraw/zinc/35/40/97/180354097.db2.gz GKWFPHDOXDLPEC-UKRRQHHQSA-N 1 0 287.432 2.233 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000105996605 186096853 /nfs/dbraw/zinc/09/68/53/186096853.db2.gz BLEKLSHPUHGRHE-UHFFFAOYSA-N 1 0 284.743 2.071 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000092469811 180392774 /nfs/dbraw/zinc/39/27/74/180392774.db2.gz TZSAYKCQXCFSKG-UHFFFAOYSA-N 1 0 261.350 2.319 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H]1CCSc2ccccc21 ZINC000092473698 180392788 /nfs/dbraw/zinc/39/27/88/180392788.db2.gz MVCABGAEOQXJLX-LBPRGKRZSA-N 1 0 262.378 2.115 10 30 CEEERO C=CC[NH2+]CC(=O)N(CC)Cc1ccc(F)c(F)c1 ZINC000092474860 180394161 /nfs/dbraw/zinc/39/41/61/180394161.db2.gz UYUQIAASVATHMT-UHFFFAOYSA-N 1 0 268.307 2.089 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC(c2ccccc2)CC1 ZINC000092474608 180394220 /nfs/dbraw/zinc/39/42/20/180394220.db2.gz IPYXRAYNMNWWCS-UHFFFAOYSA-N 1 0 258.365 2.168 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccccc2C#CC[NH3+])CC1 ZINC000110817753 186327699 /nfs/dbraw/zinc/32/76/99/186327699.db2.gz YYLNRGBZWFFLDK-AWEZNQCLSA-N 1 0 270.376 2.259 10 30 CEEERO CCCN(c1nc2c(cc1C#N)CCC2)[C@H]1CCC[NH2+]C1 ZINC000110948615 186335773 /nfs/dbraw/zinc/33/57/73/186335773.db2.gz ZOPNDKNVKINAMB-HNNXBMFYSA-N 1 0 284.407 2.410 10 30 CEEERO N#CCc1nc2ccccc2n1C[C@H]1CCCC[NH2+]1 ZINC000110952049 186336409 /nfs/dbraw/zinc/33/64/09/186336409.db2.gz WPQGDVHJNRENOV-GFCCVEGCSA-N 1 0 254.337 2.244 10 30 CEEERO CC[C@H]1CN(CCOc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000110718885 186316089 /nfs/dbraw/zinc/31/60/89/186316089.db2.gz HFRFITFHKKQSHG-INIZCTEOSA-N 1 0 287.407 2.157 10 30 CEEERO C[N@@H+](Cc1ccc(F)c(C#CCO)c1)CC1CCOCC1 ZINC000111168344 186363512 /nfs/dbraw/zinc/36/35/12/186363512.db2.gz GGEYUOJHULFFOJ-UHFFFAOYSA-N 1 0 291.366 2.028 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](C)CC1CCOCC1 ZINC000111169232 186365521 /nfs/dbraw/zinc/36/55/21/186365521.db2.gz KTRHCYCCIYBRFY-HNNXBMFYSA-N 1 0 267.417 2.017 10 30 CEEERO CN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(C#N)c1 ZINC000111247169 186375746 /nfs/dbraw/zinc/37/57/46/186375746.db2.gz JNDOFNQLEUCSDH-ZDUSSCGKSA-N 1 0 297.280 2.063 10 30 CEEERO CC[C@](C)(O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000123396109 187089503 /nfs/dbraw/zinc/08/95/03/187089503.db2.gz HCPCBCLCUASKLH-KRWDZBQOSA-N 1 0 287.407 2.231 10 30 CEEERO N#Cc1cc(Br)ccc1N1CCC[NH2+]CC1 ZINC000165214694 283087339 /nfs/dbraw/zinc/08/73/39/283087339.db2.gz NISLKUQMQKFQJA-UHFFFAOYSA-N 1 0 280.169 2.120 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246895833 283136069 /nfs/dbraw/zinc/13/60/69/283136069.db2.gz UXEZJSJWJUJKJV-NSHDSACASA-N 1 0 296.296 2.256 10 30 CEEERO Cc1ccnc(N2CCC([NH2+]CC3CC3)CC2)c1C#N ZINC000133712348 366249026 /nfs/dbraw/zinc/24/90/26/366249026.db2.gz LGZFDIPMGGQVMR-UHFFFAOYSA-N 1 0 270.380 2.230 10 30 CEEERO CC[NH2+]CC1CCN(c2nccc(C)c2C#N)CC1 ZINC000135208843 366408963 /nfs/dbraw/zinc/40/89/63/366408963.db2.gz QDWNTOLBXCEJBX-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180677480 189269787 /nfs/dbraw/zinc/26/97/87/189269787.db2.gz AJAYHIBSSXYSML-ZIAGYGMSSA-N 1 0 298.390 2.214 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccnc(C#N)c1 ZINC000094446070 364275219 /nfs/dbraw/zinc/27/52/19/364275219.db2.gz LMXYIOCQBKUJEI-XJKSGUPXSA-N 1 0 270.380 2.012 10 30 CEEERO CC(C)[C@H]([NH3+])CNc1nc(C(F)(F)F)ccc1C#N ZINC000094337502 364266527 /nfs/dbraw/zinc/26/65/27/364266527.db2.gz DMXOBQLEEHOZPX-SECBINFHSA-N 1 0 272.274 2.367 10 30 CEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000111638626 364748423 /nfs/dbraw/zinc/74/84/23/364748423.db2.gz AZAAUVCTAROVKG-ZJUUUORDSA-N 1 0 250.264 2.237 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(CC#N)cc1 ZINC000335747017 364923232 /nfs/dbraw/zinc/92/32/32/364923232.db2.gz OCPOBHZHVPVUSU-WMLDXEAASA-N 1 0 269.392 2.421 10 30 CEEERO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119471771 365278010 /nfs/dbraw/zinc/27/80/10/365278010.db2.gz HAHPZLDNOMMLIC-HUUCEWRRSA-N 1 0 282.428 2.204 10 30 CEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)o2)C[C@@H]1CC ZINC000120993470 365509153 /nfs/dbraw/zinc/50/91/53/365509153.db2.gz UYHLMUVKMRMFFR-AWEZNQCLSA-N 1 0 291.395 2.084 10 30 CEEERO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000180037376 368365014 /nfs/dbraw/zinc/36/50/14/368365014.db2.gz IUYVGJWBFLNEJZ-MELADBBJSA-N 1 0 252.402 2.339 10 30 CEEERO C[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000229248874 189797422 /nfs/dbraw/zinc/79/74/22/189797422.db2.gz MSUIAWIBBVWDSE-JTQLQIEISA-N 1 0 294.196 2.366 10 30 CEEERO C=CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190617216 369639316 /nfs/dbraw/zinc/63/93/16/369639316.db2.gz XXVSZKKXEORMJW-MRXNPFEDSA-N 1 0 287.407 2.328 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1C#N ZINC000247123663 371067998 /nfs/dbraw/zinc/06/79/98/371067998.db2.gz JCZUVCQFEZXTCU-CJNGLKHVSA-N 1 0 255.365 2.227 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)ccc1F ZINC000247406625 371104838 /nfs/dbraw/zinc/10/48/38/371104838.db2.gz PVKFQEWTDCUKCK-DOMZBBRYSA-N 1 0 273.355 2.366 10 30 CEEERO CC(=O)c1ccc(C#N)cc1N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000252747634 371475446 /nfs/dbraw/zinc/47/54/46/371475446.db2.gz CUUJKCLALITJIQ-BDJLRTHQSA-N 1 0 271.364 2.147 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H](CC[NH3+])C(F)F ZINC000383344093 375200815 /nfs/dbraw/zinc/20/08/15/375200815.db2.gz YYKDQIFVZGCKMD-ZETCQYMHSA-N 1 0 294.227 2.366 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398728920 375353453 /nfs/dbraw/zinc/35/34/53/375353453.db2.gz BGSSPICMSLBRQZ-MELADBBJSA-N 1 0 250.386 2.409 10 30 CEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000310176930 376616930 /nfs/dbraw/zinc/61/69/30/376616930.db2.gz MNDCBBJDCPHAOD-JQWIXIFHSA-N 1 0 252.749 2.208 10 30 CEEERO C[N@H+](CCO)C1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000302029903 379317060 /nfs/dbraw/zinc/31/70/60/379317060.db2.gz JNMDDMHXCNVOCH-UHFFFAOYSA-N 1 0 293.798 2.105 10 30 CEEERO CC(C)[NH2+]C[C@@](C)(O)CN(CCC#N)c1ccccc1 ZINC000090817695 184618449 /nfs/dbraw/zinc/61/84/49/184618449.db2.gz SZOWFMKUURQGOQ-MRXNPFEDSA-N 1 0 275.396 2.156 10 30 CEEERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000092951133 184637159 /nfs/dbraw/zinc/63/71/59/184637159.db2.gz DEQYIYHTMQLEST-KCJUWKMLSA-N 1 0 263.728 2.148 10 30 CEEERO CCC[NH+]1CCN(CC[C@H]2CCC[C@@]2(C#N)NCC)CC1 ZINC000093552905 184690093 /nfs/dbraw/zinc/69/00/93/184690093.db2.gz PKJDPLXLLVIDOG-SJORKVTESA-N 1 0 292.471 2.076 10 30 CEEERO C=C(CC)C[C@H]([NH2+]CCC)[C@H]1CN(CC)CCO1 ZINC000093915615 184742109 /nfs/dbraw/zinc/74/21/09/184742109.db2.gz YXXCUSIJOKKDBB-LSDHHAIUSA-N 1 0 254.418 2.432 10 30 CEEERO COC1CC[NH+](Cc2cc(F)cc(C#CCCO)c2)CC1 ZINC000093981481 184747826 /nfs/dbraw/zinc/74/78/26/184747826.db2.gz SUYIDEPUPXEVBY-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO COCCSCc1cc(F)cc(C#CC[NH3+])c1 ZINC000093994211 184749269 /nfs/dbraw/zinc/74/92/69/184749269.db2.gz ZRALUSLLNRSGBM-UHFFFAOYSA-N 1 0 253.342 2.016 10 30 CEEERO CC1(C)C([NH3+])C(C)(C)C1NC(=O)Nc1ccc(C#N)cc1 ZINC000094006416 184749866 /nfs/dbraw/zinc/74/98/66/184749866.db2.gz HTCKVBKAGBYVMR-UHFFFAOYSA-N 1 0 286.379 2.442 10 30 CEEERO CCN(C(=O)c1cc(C)c(C#CC[NH3+])s1)C(C)C ZINC000094536336 184814223 /nfs/dbraw/zinc/81/42/23/184814223.db2.gz BHTQVZGRHGYNIZ-UHFFFAOYSA-N 1 0 264.394 2.237 10 30 CEEERO N#Cc1cc2c(nc1N1CC[N@@H+]3CCCC[C@H]3C1)CCC2 ZINC000252675420 394573368 /nfs/dbraw/zinc/57/33/68/394573368.db2.gz ZPVFZNYTDXZWLQ-HNNXBMFYSA-N 1 0 282.391 2.116 10 30 CEEERO CC[C@@H]1C[N@H+](CC(C)(C)CCC#N)CCN1C[C@@H](C)O ZINC000120772545 394784402 /nfs/dbraw/zinc/78/44/02/394784402.db2.gz DKCQCPRTSKFHKT-HUUCEWRRSA-N 1 0 281.444 2.093 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)c1cccs1)C(=O)N(C)CCC#N ZINC000192941264 395397329 /nfs/dbraw/zinc/39/73/29/395397329.db2.gz NSHXQAVCIRUDOV-WDEREUQCSA-N 1 0 265.382 2.159 10 30 CEEERO C[C@@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccs1 ZINC000193182251 395402876 /nfs/dbraw/zinc/40/28/76/395402876.db2.gz XBIHXVKHGFCBAZ-QMTHXVAHSA-N 1 0 277.393 2.207 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 ZINC000261645508 153798629 /nfs/dbraw/zinc/79/86/29/153798629.db2.gz XNDJZPZTFPCPPI-NSHDSACASA-N 1 0 278.787 2.351 10 30 CEEERO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172398175 287131549 /nfs/dbraw/zinc/13/15/49/287131549.db2.gz MRIGKEFDWDITDG-XJKSGUPXSA-N 1 0 255.365 2.399 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035179976 172033481 /nfs/dbraw/zinc/03/34/81/172033481.db2.gz YUMVENNITHPYPA-IUODEOHRSA-N 1 0 258.365 2.344 10 30 CEEERO C[N@H+](Cc1ccsc1)Cc1ccc(/C(N)=N/O)cc1 ZINC000035719257 172373131 /nfs/dbraw/zinc/37/31/31/172373131.db2.gz SPJZGJPBOWJJRY-UHFFFAOYSA-N 1 0 275.377 2.475 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCC[NH2+]1 ZINC000037015373 172874179 /nfs/dbraw/zinc/87/41/79/172874179.db2.gz QWUXBZZLKIVAND-LLVKDONJSA-N 1 0 263.728 2.292 10 30 CEEERO C#CCN1CCC([NH2+]CCc2cccc(F)c2)CC1 ZINC000037262393 173071769 /nfs/dbraw/zinc/07/17/69/173071769.db2.gz WEJSTVCLBYPUSV-UHFFFAOYSA-N 1 0 260.356 2.055 10 30 CEEERO N#Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1Cl ZINC000037393491 173173654 /nfs/dbraw/zinc/17/36/54/173173654.db2.gz PFKQFJKQHNOVOA-UHFFFAOYSA-N 1 0 263.728 2.150 10 30 CEEERO CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037508806 173242978 /nfs/dbraw/zinc/24/29/78/173242978.db2.gz IKGIUBGQIDHEDE-SUNKGSAMSA-N 1 0 259.353 2.109 10 30 CEEERO C[C@@H]([NH3+])CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000037767238 173696408 /nfs/dbraw/zinc/69/64/08/173696408.db2.gz FFXSBIIIDZIIDV-LLVKDONJSA-N 1 0 261.325 2.045 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1cccnc1 ZINC000043349276 175019105 /nfs/dbraw/zinc/01/91/05/175019105.db2.gz YLEMIXPQJOBBFD-OAHLLOKOSA-N 1 0 269.304 2.041 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CCC#N)C(C)C ZINC000043354635 175022712 /nfs/dbraw/zinc/02/27/12/175022712.db2.gz UIFQPAKYWLYCOU-GJZGRUSLSA-N 1 0 260.385 2.484 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043355168 175023070 /nfs/dbraw/zinc/02/30/70/175023070.db2.gz ICEADWUNOZIHMB-BDJLRTHQSA-N 1 0 283.331 2.429 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043383397 175031166 /nfs/dbraw/zinc/03/11/66/175031166.db2.gz XRTKAWFLLPSKMS-HQJQHLMTSA-N 1 0 274.242 2.224 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385167 175031850 /nfs/dbraw/zinc/03/18/50/175031850.db2.gz HYIXJCIMPXJYDF-LHLIQPBNSA-N 1 0 262.206 2.354 10 30 CEEERO CN(Cc1ccco1)Cc1cc(C#CC[NH3+])cs1 ZINC000043688910 175095728 /nfs/dbraw/zinc/09/57/28/175095728.db2.gz BGHGTBYGOGKTPK-UHFFFAOYSA-N 1 0 260.362 2.283 10 30 CEEERO CC(C)[C@H](C#N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044809901 175257769 /nfs/dbraw/zinc/25/77/69/175257769.db2.gz ZWKQYPZGBYDISE-KBPBESRZSA-N 1 0 265.401 2.163 10 30 CEEERO CC1(NC(=O)c2ccccc2C#CC[NH3+])CCCCC1 ZINC000045047650 175297117 /nfs/dbraw/zinc/29/71/17/175297117.db2.gz CJJYBPNJNDQIEX-UHFFFAOYSA-N 1 0 270.376 2.449 10 30 CEEERO CC[N@H+](CC[C@@](C)(C#N)NC(C)C)C[C@@H]1CCCO1 ZINC000045182069 175325857 /nfs/dbraw/zinc/32/58/57/175325857.db2.gz ZVQBCPGJBNMKJC-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@@](C)(C#N)CCCCN1CCC([NH+](C)C)CC1 ZINC000045311157 175356290 /nfs/dbraw/zinc/35/62/90/175356290.db2.gz NMQYQAYOOCYAHP-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO CCN[C@@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1 ZINC000045311509 175356530 /nfs/dbraw/zinc/35/65/30/175356530.db2.gz CTBDKILOTJFMOT-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO COC[C@H](C)[N@H+](C)CCC[C@@](C)(C#N)NC(C)C ZINC000045314608 175357439 /nfs/dbraw/zinc/35/74/39/175357439.db2.gz UNRLUINDUSPXIC-KBPBESRZSA-N 1 0 255.406 2.014 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](CC)CCOC ZINC000045316874 175357874 /nfs/dbraw/zinc/35/78/74/175357874.db2.gz DXUUMYISAZZBGN-AWEZNQCLSA-N 1 0 255.406 2.017 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318457 175359429 /nfs/dbraw/zinc/35/94/29/175359429.db2.gz YHOJBEUICGLGCJ-QGZVFWFLSA-N 1 0 294.487 2.463 10 30 CEEERO C[C@H]1C[N@H+](Cc2cccc(C#CCCO)c2)CC(C)(C)O1 ZINC000045707262 175382786 /nfs/dbraw/zinc/38/27/86/175382786.db2.gz LEHKHROYAIOQCV-HNNXBMFYSA-N 1 0 287.403 2.420 10 30 CEEERO CCC[C@H](CC)NC(=O)c1ccccc1C#CC[NH3+] ZINC000050398574 175515782 /nfs/dbraw/zinc/51/57/82/175515782.db2.gz SEKPFUOXUFZIFF-AWEZNQCLSA-N 1 0 258.365 2.305 10 30 CEEERO C#CCC[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000070246009 175883811 /nfs/dbraw/zinc/88/38/11/175883811.db2.gz VPHKZJWLPBFMJR-UHFFFAOYSA-N 1 0 255.264 2.410 10 30 CEEERO C=CCN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000070576550 175991904 /nfs/dbraw/zinc/99/19/04/175991904.db2.gz LIINPFMFAWVLAR-QWHCGFSZSA-N 1 0 250.386 2.461 10 30 CEEERO C=CC[NH2+]C[C@@H](C)Oc1cc(OC)cc(OC)c1 ZINC000071137793 176036448 /nfs/dbraw/zinc/03/64/48/176036448.db2.gz UZAVKRPNDCONJI-LLVKDONJSA-N 1 0 251.326 2.247 10 30 CEEERO C[NH2+][C@@H](C)c1c(F)cccc1N(CCC#N)CCOC ZINC000071226109 176089804 /nfs/dbraw/zinc/08/98/04/176089804.db2.gz BBPPRAGUHDXYQW-LBPRGKRZSA-N 1 0 279.359 2.473 10 30 CEEERO COCCN(CCC#N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000071232848 176092590 /nfs/dbraw/zinc/09/25/90/176092590.db2.gz QVIPTDCKWGEEMF-LBPRGKRZSA-N 1 0 290.367 2.100 10 30 CEEERO C[NH2+]C[C@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000071264277 176097452 /nfs/dbraw/zinc/09/74/52/176097452.db2.gz FBSOADCPZGXXPJ-GFCCVEGCSA-N 1 0 261.344 2.129 10 30 CEEERO Cc1c(C)n(CC[N@@H+](C)C2CCCC2)c(N)c1C#N ZINC000071378888 176143540 /nfs/dbraw/zinc/14/35/40/176143540.db2.gz AEADCQXYRPDODR-UHFFFAOYSA-N 1 0 260.385 2.433 10 30 CEEERO N#C[C@H]1CCC[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401509 176153996 /nfs/dbraw/zinc/15/39/96/176153996.db2.gz QSAOQUHLHGILFD-KFWWJZLASA-N 1 0 271.364 2.275 10 30 CEEERO C=CCSCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000071541811 176196037 /nfs/dbraw/zinc/19/60/37/176196037.db2.gz DFIZBIFTGXEGJA-UHFFFAOYSA-N 1 0 270.442 2.331 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1Cn1cc(Cl)c(C)n1 ZINC000080014181 177595216 /nfs/dbraw/zinc/59/52/16/177595216.db2.gz BAUNRZXLDDHWNJ-UHFFFAOYSA-N 1 0 289.766 2.212 10 30 CEEERO CC#CCn1cc(CC[NH2+]CCOC)c2ccccc21 ZINC000080062344 177604256 /nfs/dbraw/zinc/60/42/56/177604256.db2.gz CUNHTRUXQCCEEQ-UHFFFAOYSA-N 1 0 270.376 2.443 10 30 CEEERO N#CCc1ccc(NC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000334834167 225326779 /nfs/dbraw/zinc/32/67/79/225326779.db2.gz YOYWPHPBXBADRS-AWEZNQCLSA-N 1 0 272.352 2.016 10 30 CEEERO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn2ccncc12 ZINC000329271499 227397790 /nfs/dbraw/zinc/39/77/90/227397790.db2.gz ICSOMQQKWZYQFQ-LBPRGKRZSA-N 1 0 299.378 2.051 10 30 CEEERO CCn1nccc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000330075627 228033931 /nfs/dbraw/zinc/03/39/31/228033931.db2.gz LZIPXIVQNSXSIU-CYBMUJFWSA-N 1 0 293.415 2.493 10 30 CEEERO COc1cccc(CC(=O)NC2CC[NH+](C3CC3)CC2)n1 ZINC000330138248 228047555 /nfs/dbraw/zinc/04/75/55/228047555.db2.gz VKELZPGOCBVOFH-UHFFFAOYSA-N 1 0 289.379 2.216 10 30 CEEERO CCOCCN1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1C ZINC000174849360 261199687 /nfs/dbraw/zinc/19/96/87/261199687.db2.gz LUGVHKPNSDPDDC-HNNXBMFYSA-N 1 0 281.444 2.359 10 30 CEEERO C[NH+](C)[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068796396 273808523 /nfs/dbraw/zinc/80/85/23/273808523.db2.gz XDNMMERRJMDUSJ-CYBMUJFWSA-N 1 0 266.348 2.247 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000132446737 274238962 /nfs/dbraw/zinc/23/89/62/274238962.db2.gz SZFOXTVPAZMSCV-VXGBXAGGSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@@H]1[NH3+] ZINC000235409567 274361935 /nfs/dbraw/zinc/36/19/35/274361935.db2.gz AYBFGHQUXSMOPV-KCJUWKMLSA-N 1 0 280.169 2.104 10 30 CEEERO N#Cc1cc(NC[C@@H]2CCC[NH2+]2)nc2ccccc12 ZINC000068770987 274920971 /nfs/dbraw/zinc/92/09/71/274920971.db2.gz IKRNYLHVXXUMLZ-LBPRGKRZSA-N 1 0 252.321 2.270 10 30 CEEERO CC[NH2+]CC1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000126655844 276264477 /nfs/dbraw/zinc/26/44/77/276264477.db2.gz VMVCXHFSNSJAMI-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000127269310 279408401 /nfs/dbraw/zinc/40/84/01/279408401.db2.gz GNSZEJIFJGETRL-WCBMZHEXSA-N 1 0 251.280 2.010 10 30 CEEERO C[C@@H]1C[NH2+][C@@H](C)CN1c1c(F)cc(C#N)cc1F ZINC000147793436 288328816 /nfs/dbraw/zinc/32/88/16/288328816.db2.gz YJIWWPKTKSJUJZ-DTWKUNHWSA-N 1 0 251.280 2.023 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382455201 321840158 /nfs/dbraw/zinc/84/01/58/321840158.db2.gz IRBFTJBILXJQSJ-KOLCDFICSA-N 1 0 260.297 2.006 10 30 CEEERO C=CCSCC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186395577 329343788 /nfs/dbraw/zinc/34/37/88/329343788.db2.gz BIXFKYULAXZQMD-KBPBESRZSA-N 1 0 285.453 2.469 10 30 CEEERO C[C@@H]1C[C@@H](CNC(=[NH2+])N2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000262159153 330000889 /nfs/dbraw/zinc/00/08/89/330000889.db2.gz NWWLCYLMCNXVJS-FQUUOJAGSA-N 1 0 267.417 2.237 10 30 CEEERO C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1CCC[C@@H]1O ZINC000262469862 330015382 /nfs/dbraw/zinc/01/53/82/330015382.db2.gz ICGOYDPLOVCJLR-GJZGRUSLSA-N 1 0 279.428 2.203 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000262516799 330019196 /nfs/dbraw/zinc/01/91/96/330019196.db2.gz GSRACAMXJDHSRK-CABZTGNLSA-N 1 0 297.786 2.236 10 30 CEEERO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[C@@H]2C(F)(F)F)N1 ZINC000262672185 330025870 /nfs/dbraw/zinc/02/58/70/330025870.db2.gz ROGAAGURBOAIFP-UTLUCORTSA-N 1 0 263.307 2.292 10 30 CEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC(C)(C)C ZINC000262819410 330034060 /nfs/dbraw/zinc/03/40/60/330034060.db2.gz XTRMHHNWBQGSQB-QMMMGPOBSA-N 1 0 289.832 2.398 10 30 CEEERO C=C(C)COCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000163520899 331049942 /nfs/dbraw/zinc/04/99/42/331049942.db2.gz OUTHXAKGGRPCCO-CQSZACIVSA-N 1 0 274.364 2.277 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184376053 333127859 /nfs/dbraw/zinc/12/78/59/333127859.db2.gz ICTXKUJBXSFUGF-GJZGRUSLSA-N 1 0 296.455 2.140 10 30 CEEERO CN(CC[NH2+][C@@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000386745945 336178045 /nfs/dbraw/zinc/17/80/45/336178045.db2.gz ZPOYZFIWYNEOJP-HZPDHXFCSA-N 1 0 257.381 2.400 10 30 CEEERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C#N)c1 ZINC000050517051 519954180 /nfs/dbraw/zinc/95/41/80/519954180.db2.gz KVLDZPBCKMKDSL-JTQLQIEISA-N 1 0 263.297 2.385 10 30 CEEERO CC(C)(C)[NH2+]Cc1nccn1Cc1ccnc(C#N)c1 ZINC000068758469 518767576 /nfs/dbraw/zinc/76/75/76/518767576.db2.gz ZJGNVKMRBSWILE-UHFFFAOYSA-N 1 0 269.352 2.086 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611603 519739330 /nfs/dbraw/zinc/73/93/30/519739330.db2.gz SROOTCAULUTQDS-ZBFHGGJFSA-N 1 0 280.460 2.071 10 30 CEEERO CC[NH2+]CCC(=O)Nc1sc(C)c(C)c1C#N ZINC000061298878 519918709 /nfs/dbraw/zinc/91/87/09/519918709.db2.gz YEBAJAGJHNTHGO-UHFFFAOYSA-N 1 0 251.355 2.175 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616197 520031522 /nfs/dbraw/zinc/03/15/22/520031522.db2.gz MVWYKQZHHZGXIM-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[NH+]1CCC(COC)CC1 ZINC000068616633 520101933 /nfs/dbraw/zinc/10/19/33/520101933.db2.gz JVWZDFSXZLXQGR-HOCLYGCPSA-N 1 0 281.444 2.405 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000068616011 520131306 /nfs/dbraw/zinc/13/13/06/520131306.db2.gz JYBYZBPWAKNAGY-YESZJQIVSA-N 1 0 292.471 2.217 10 30 CEEERO CC[NH2+][C@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000061270611 520167503 /nfs/dbraw/zinc/16/75/03/520167503.db2.gz WYYCMQXVANDEDE-NEPJUHHUSA-N 1 0 259.353 2.124 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000068613012 520225174 /nfs/dbraw/zinc/22/51/74/520225174.db2.gz KXIDTVWWRAATRQ-YCPHGPKFSA-N 1 0 281.444 2.404 10 30 CEEERO CC[N@@H+](Cc1ccc(C#CCO)cc1F)CC1CC1 ZINC000069239027 521299157 /nfs/dbraw/zinc/29/91/57/521299157.db2.gz BLDUQWSFYDLGFV-UHFFFAOYSA-N 1 0 261.340 2.401 10 30 CEEERO CN(C)C[C@H]1CCC[N@@H+]1CCCC[C@](C)(C#N)NC1CC1 ZINC000061652805 521865408 /nfs/dbraw/zinc/86/54/08/521865408.db2.gz YJWXZEUHQKHKPC-IAGOWNOFSA-N 1 0 292.471 2.217 10 30 CEEERO C[NH2+]Cc1cccc(OC)c1OCc1cccnc1C#N ZINC000061656542 522130130 /nfs/dbraw/zinc/13/01/30/522130130.db2.gz YOGXIESDTKPIPN-UHFFFAOYSA-N 1 0 283.331 2.260 10 30 CEEERO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1C#N ZINC000054825851 522152608 /nfs/dbraw/zinc/15/26/08/522152608.db2.gz NMTBPCQODWVLFB-MGPQQGTHSA-N 1 0 265.401 2.353 10 30 CEEERO CN[C@@](C)(C#N)C[C@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000068612097 522405447 /nfs/dbraw/zinc/40/54/47/522405447.db2.gz DSAANVCVKLKLCN-DOTOQJQBSA-N 1 0 292.471 2.217 10 30 CEEERO CC[C@@H]1CCC[C@@H](NC(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000068594063 523279765 /nfs/dbraw/zinc/27/97/65/523279765.db2.gz FWUUZCZJJDKMDO-CZUORRHYSA-N 1 0 285.391 2.090 10 30 CEEERO C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)[C@@H]1C[NH3+] ZINC000070178660 524107489 /nfs/dbraw/zinc/10/74/89/524107489.db2.gz ADYFLXXMRYMONA-IINYFYTJSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1CCC[C@H](C[NH3+])N1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000070157186 524375977 /nfs/dbraw/zinc/37/59/77/524375977.db2.gz HBICGTOAXYSLOA-ZYHUDNBSSA-N 1 0 274.324 2.173 10 30 CEEERO Cc1ccc(C#N)c(Nc2cccc(OCC[NH3+])c2)n1 ZINC000062839320 525993601 /nfs/dbraw/zinc/99/36/01/525993601.db2.gz CLKDMXCHLQTRDH-UHFFFAOYSA-N 1 0 268.320 2.343 10 30 CEEERO N#C[C@@H](CC[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000062369212 526494798 /nfs/dbraw/zinc/49/47/98/526494798.db2.gz KAFJPHUWPUYKEB-MRXNPFEDSA-N 1 0 255.365 2.079 10 30 CEEERO N#C[C@H](CC[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000062369210 526508776 /nfs/dbraw/zinc/50/87/76/526508776.db2.gz KAFJPHUWPUYKEB-INIZCTEOSA-N 1 0 255.365 2.079 10 30 CEEERO N#Cc1ncccc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000061657752 526790051 /nfs/dbraw/zinc/79/00/51/526790051.db2.gz VRBMJWPOCMUMFL-AWEZNQCLSA-N 1 0 265.316 2.047 10 30 CEEERO O=CC1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000052180053 527139457 /nfs/dbraw/zinc/13/94/57/527139457.db2.gz IMWQMEXZSOTMJK-LSDHHAIUSA-N 1 0 265.397 2.494 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc(C#N)c1 ZINC000175050794 529304788 /nfs/dbraw/zinc/30/47/88/529304788.db2.gz NYHKEKJWBPSVCV-DLBZAZTESA-N 1 0 299.418 2.496 10 30 CEEERO COc1ccc2c3c1O[C@@H]1CC(=O)C=C[C@@]31CC[N@@H+](C)C2 ZINC000033832928 560088242 /nfs/dbraw/zinc/08/82/42/560088242.db2.gz QENVUHCAYXAROT-PBHICJAKSA-N 1 0 285.343 2.059 10 30 biogenic,in-vitro CEEERO N#Cc1ccc(N2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000070171266 625071123 /nfs/dbraw/zinc/07/11/23/625071123.db2.gz WNBDVZQSVJDBOT-LLVKDONJSA-N 1 0 274.324 2.032 10 30 CEEERO C[C@@H]1[C@H]([NH3+])CCN1c1nc2ccccc2cc1C#N ZINC000311927042 627835485 /nfs/dbraw/zinc/83/54/85/627835485.db2.gz FRBKODPMAGQYKI-ZWNOBZJWSA-N 1 0 252.321 2.032 10 30 CEEERO C=CCN(CC(=O)OCC)C[C@@H]1Cc2ccccc21 ZINC000157399182 639487337 /nfs/dbraw/zinc/48/73/37/639487337.db2.gz VUTMOMVSHDLSGV-AWEZNQCLSA-N 1 0 259.349 2.377 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@H]([C@H](C)[NH3+])C2)n1 ZINC000227191209 639574567 /nfs/dbraw/zinc/57/45/67/639574567.db2.gz DTWOXFMTBAZXIN-STQMWFEESA-N 1 0 258.369 2.134 10 30 CEEERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC000324457041 640646651 /nfs/dbraw/zinc/64/66/51/640646651.db2.gz XCXXAAOPLLCSOB-ZDUSSCGKSA-N 1 0 250.317 2.194 10 30 CEEERO CCCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000094592228 642424776 /nfs/dbraw/zinc/42/47/76/642424776.db2.gz UJVZRXQSUWHULC-ZDUSSCGKSA-N 1 0 274.324 2.045 10 30 CEEERO C[C@@]1(CNc2nc3c(cc2C#N)CCC3)CCC[NH2+]C1 ZINC000129392409 651937381 /nfs/dbraw/zinc/93/73/81/651937381.db2.gz NEKZHDPEMFDVBQ-MRXNPFEDSA-N 1 0 270.380 2.244 10 30 CEEERO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000036095505 361827752 /nfs/dbraw/zinc/82/77/52/361827752.db2.gz BOFJEWXFJGWRGB-MRXNPFEDSA-N 1 0 279.355 2.048 10 30 CEEERO CCCNC(=[NH+]N)c1cccc(Br)c1 ZINC000042035986 362056957 /nfs/dbraw/zinc/05/69/57/362056957.db2.gz OORUTFDBAXMQNI-UHFFFAOYSA-N 1 0 256.147 2.069 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000126656155 187254311 /nfs/dbraw/zinc/25/43/11/187254311.db2.gz FTHLSSOPALTDFU-NSHDSACASA-N 1 0 262.313 2.396 10 30 CEEERO CC[C@@H]1CN(c2nc3c(cc2C#N)CCC3)CC[C@@H]1[NH3+] ZINC000122920976 344308045 /nfs/dbraw/zinc/30/80/45/344308045.db2.gz ZQLNTAIIXVNAPJ-RISCZKNCSA-N 1 0 270.380 2.006 10 30 CEEERO CN(C)c1ccc(/C=[N+](\O)[C@@]2(C)CCCCC2=O)cc1 ZINC000225397835 344545160 /nfs/dbraw/zinc/54/51/60/344545160.db2.gz UHVVXFXCJJHMLP-INIZCTEOSA-N 1 0 275.372 2.475 10 30 CEEERO C=C(Br)CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360237 362429915 /nfs/dbraw/zinc/42/99/15/362429915.db2.gz IGRPDDFJSIMTRE-QWRGUYRKSA-N 1 0 259.191 2.111 10 30 CEEERO C#CCOc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000052066525 362463675 /nfs/dbraw/zinc/46/36/75/362463675.db2.gz DTTTWEWZWYBFPX-MRVPVSSYSA-N 1 0 254.127 2.481 10 30 CEEERO C[NH+](C)CC#CCOC(=O)Nc1ccc(Cl)cc1 ZINC000584600892 344962279 /nfs/dbraw/zinc/96/22/79/344962279.db2.gz NQEUDYZVOSZWNO-UHFFFAOYSA-N 1 0 266.728 2.454 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000596029898 345926031 /nfs/dbraw/zinc/92/60/31/345926031.db2.gz DGVLGBDURNIQFV-LLVKDONJSA-N 1 0 262.313 2.252 10 30 CEEERO N#Cc1cccc(Cl)c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174685288 232297349 /nfs/dbraw/zinc/29/73/49/232297349.db2.gz IYFYPSMSNVQWQW-CYBMUJFWSA-N 1 0 293.798 2.470 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368119 179038013 /nfs/dbraw/zinc/03/80/13/179038013.db2.gz JQDIHGHMQWQAFH-GJZGRUSLSA-N 1 0 271.364 2.034 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085369339 179039369 /nfs/dbraw/zinc/03/93/69/179039369.db2.gz OMZQVFKKCUFZTD-KBPBESRZSA-N 1 0 275.352 2.039 10 30 CEEERO Cc1sc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c(C#N)c1C ZINC000085372024 179041595 /nfs/dbraw/zinc/04/15/95/179041595.db2.gz OJDJOAVUPTXCMA-GXSJLCMTSA-N 1 0 263.366 2.303 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncc(Br)cc1C#N ZINC000600952530 346715572 /nfs/dbraw/zinc/71/55/72/346715572.db2.gz YDCQOMKJSRRRML-WDEREUQCSA-N 1 0 295.184 2.268 10 30 CEEERO CCc1nnc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C#N)c1CC ZINC000125500672 136707063 /nfs/dbraw/zinc/70/70/63/136707063.db2.gz BWYUZZIALDFPTI-VXGBXAGGSA-N 1 0 287.411 2.037 10 30 CEEERO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000127857999 136709855 /nfs/dbraw/zinc/70/98/55/136709855.db2.gz DABNCCPRHQDNNE-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000086139183 179236410 /nfs/dbraw/zinc/23/64/10/179236410.db2.gz KKANYHWGDHVLSZ-QMMMGPOBSA-N 1 0 258.774 2.354 10 30 CEEERO COc1ccc(COC[C@@H]2CCC[NH2+]C2)cc1C#N ZINC000087832285 179496604 /nfs/dbraw/zinc/49/66/04/179496604.db2.gz ZYCBJMLIHGHFNT-CYBMUJFWSA-N 1 0 260.337 2.083 10 30 CEEERO N#Cc1cc([N+](=O)[O-])cnc1OC[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089538046 179813436 /nfs/dbraw/zinc/81/34/36/179813436.db2.gz MWWYFXYPEVQDQY-GHMZBOCLSA-N 1 0 290.323 2.005 10 30 CEEERO N#Cc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2CO)c1 ZINC000089504784 179806438 /nfs/dbraw/zinc/80/64/38/179806438.db2.gz ZVYLJLKKLFOAEA-HZPDHXFCSA-N 1 0 258.365 2.447 10 30 CEEERO COc1ccc(C#CC[NH3+])c(CO[C@@H](C)C(F)(F)F)c1 ZINC000090673676 180021771 /nfs/dbraw/zinc/02/17/71/180021771.db2.gz IQORNTSKQXEEOL-JTQLQIEISA-N 1 0 287.281 2.473 10 30 CEEERO N#Cc1cc(Cn2cccc2C[NH2+]C2CC2)ccn1 ZINC000091001453 180083236 /nfs/dbraw/zinc/08/32/36/180083236.db2.gz SGZNBBQMLOKHLF-UHFFFAOYSA-N 1 0 252.321 2.055 10 30 CEEERO CC[C@@H]([NH3+])Cc1cccn1Cc1cccnc1C#N ZINC000091005754 180084683 /nfs/dbraw/zinc/08/46/83/180084683.db2.gz REDWWJRSCFYDNQ-CYBMUJFWSA-N 1 0 254.337 2.083 10 30 CEEERO COc1ccc(Cn2cccc2C[C@H](C)[NH3+])cc1C#N ZINC000091005309 180084818 /nfs/dbraw/zinc/08/48/18/180084818.db2.gz SANNCSVTUXYQGR-LBPRGKRZSA-N 1 0 269.348 2.306 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091541340 180183587 /nfs/dbraw/zinc/18/35/87/180183587.db2.gz SWCZYULWIPAHGF-TZMCWYRMSA-N 1 0 289.354 2.173 10 30 CEEERO CC#CC[C@@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646280 180215108 /nfs/dbraw/zinc/21/51/08/180215108.db2.gz HAOFHPJWIJANCG-OAHLLOKOSA-N 1 0 264.413 2.023 10 30 CEEERO CCC[NH2+][C@@H](CCC)c1ccn(CC(=O)NCCC#N)c1 ZINC000091823551 180264022 /nfs/dbraw/zinc/26/40/22/180264022.db2.gz CJJYELSHOKBIKS-HNNXBMFYSA-N 1 0 290.411 2.359 10 30 CEEERO N#C[C@@]1([C@@]2(O)CC[N@@H+](C3CC3)C2)CCCc2ccccc21 ZINC000091878848 180278579 /nfs/dbraw/zinc/27/85/79/180278579.db2.gz LNEVBSZVCBXVQM-ZWKOTPCHSA-N 1 0 282.387 2.383 10 30 CEEERO C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2C#CC[NH3+])C1 ZINC000091992465 180300356 /nfs/dbraw/zinc/30/03/56/180300356.db2.gz ZHBKXWUYIZXOIA-GFCCVEGCSA-N 1 0 289.354 2.400 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092112322 180327600 /nfs/dbraw/zinc/32/76/00/180327600.db2.gz MCCWVWMWFUGFMC-KBPBESRZSA-N 1 0 270.376 2.033 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(OC)ccc1Br ZINC000092476251 180393771 /nfs/dbraw/zinc/39/37/71/180393771.db2.gz VQNMYHWJDBUCJD-UHFFFAOYSA-N 1 0 299.168 2.172 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)Cc1ccccc1Cl ZINC000092473826 180393966 /nfs/dbraw/zinc/39/39/66/180393966.db2.gz HSGIZHMIUAXSRA-NSHDSACASA-N 1 0 266.772 2.163 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2cc(C#CC[NH3+])ccc2F)CC1 ZINC000110817770 186327791 /nfs/dbraw/zinc/32/77/91/186327791.db2.gz VHTXXIDFICBONZ-CYBMUJFWSA-N 1 0 288.366 2.398 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110958423 186336532 /nfs/dbraw/zinc/33/65/32/186336532.db2.gz UUBJZKULSWCNFW-NEPJUHHUSA-N 1 0 262.353 2.084 10 30 CEEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000121945522 187006188 /nfs/dbraw/zinc/00/61/88/187006188.db2.gz XUPAOLLNAPYWRU-CQSZACIVSA-N 1 0 299.378 2.272 10 30 CEEERO Cc1cc(C)c(C#N)c(N(C)CC[C@H]([NH3+])C(C)C)n1 ZINC000133577103 187693676 /nfs/dbraw/zinc/69/36/76/187693676.db2.gz BIMPXEHXKCDNGV-AWEZNQCLSA-N 1 0 260.385 2.380 10 30 CEEERO Cc1cc(C)c(C#N)c(N(C)CC[C@@H]([NH3+])C(C)C)n1 ZINC000133577326 187693879 /nfs/dbraw/zinc/69/38/79/187693879.db2.gz BIMPXEHXKCDNGV-CQSZACIVSA-N 1 0 260.385 2.380 10 30 CEEERO N#Cc1cc(Br)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000132702330 366165194 /nfs/dbraw/zinc/16/51/94/366165194.db2.gz OCEFIBYMUUWEHJ-LLVKDONJSA-N 1 0 280.169 2.485 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1nc2c(cc1C#N)CCCC2 ZINC000216227256 540402078 /nfs/dbraw/zinc/40/20/78/540402078.db2.gz BLMIRMSAJULAKY-VXGBXAGGSA-N 1 0 270.380 2.006 10 30 CEEERO C#Cc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000177114063 189030144 /nfs/dbraw/zinc/03/01/44/189030144.db2.gz RRPICIHEAZHDTC-XJKSGUPXSA-N 1 0 283.375 2.368 10 30 CEEERO C#CC[N@@H+](C[C@H](O)COCc1ccccc1)C1CCCC1 ZINC000154947666 366800173 /nfs/dbraw/zinc/80/01/73/366800173.db2.gz LGDGNCDMTIWNBG-SFHVURJKSA-N 1 0 287.403 2.442 10 30 CEEERO CS(=O)(=O)OCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000095076614 364332704 /nfs/dbraw/zinc/33/27/04/364332704.db2.gz VMBFWZVPVAMTOV-UHFFFAOYSA-N 1 0 297.420 2.265 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC000120639735 365454374 /nfs/dbraw/zinc/45/43/74/365454374.db2.gz GYLAWVBIPZKNNU-OAHLLOKOSA-N 1 0 283.350 2.400 10 30 CEEERO N#Cc1nc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000236420668 370588281 /nfs/dbraw/zinc/58/82/81/370588281.db2.gz BPRDKRZVOQDIBO-UHFFFAOYSA-N 1 0 289.339 2.149 10 30 CEEERO C#Cc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000247369484 371098764 /nfs/dbraw/zinc/09/87/64/371098764.db2.gz RRPICIHEAZHDTC-BBRMVZONSA-N 1 0 283.375 2.368 10 30 CEEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000248766463 371244126 /nfs/dbraw/zinc/24/41/26/371244126.db2.gz GZLSWPDZMOEYIW-RBSFLKMASA-N 1 0 285.395 2.117 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000249581629 371341252 /nfs/dbraw/zinc/34/12/52/371341252.db2.gz RHKYPPUZIZBGJJ-SOUVJXGZSA-N 1 0 281.421 2.083 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000382464724 375186177 /nfs/dbraw/zinc/18/61/77/375186177.db2.gz ZPFSUHVLFBAQGK-QWRGUYRKSA-N 1 0 260.297 2.148 10 30 CEEERO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C#N)Cc1ccccc1 ZINC000041680707 184551553 /nfs/dbraw/zinc/55/15/53/184551553.db2.gz LGPVMKYHYGQTMK-HOCLYGCPSA-N 1 0 287.407 2.215 10 30 CEEERO Cc1cc(C#N)cc(C)c1OC[C@@](C)(O)C[NH2+]C1CC1 ZINC000090824685 184618995 /nfs/dbraw/zinc/61/89/95/184618995.db2.gz VKUSECSEINKWJD-INIZCTEOSA-N 1 0 274.364 2.057 10 30 CEEERO C=CCOCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000385555953 542369057 /nfs/dbraw/zinc/36/90/57/542369057.db2.gz RUNJMVXMMZNLEB-NSHDSACASA-N 1 0 251.374 2.373 10 30 CEEERO C[C@H]1CCC[C@@]([NH3+])(C(=O)N(CC#N)Cc2ccccc2)C1 ZINC000080924933 177730677 /nfs/dbraw/zinc/73/06/77/177730677.db2.gz BOTJXSSVQZSFNH-YOEHRIQHSA-N 1 0 285.391 2.446 10 30 CEEERO CCN[C@]1(C#N)CCC[C@@H]([N@H+](CCN(C)C)CC(C)C)C1 ZINC000093742896 184711288 /nfs/dbraw/zinc/71/12/88/184711288.db2.gz UNSQLZUBBFFNGJ-IAGOWNOFSA-N 1 0 294.487 2.320 10 30 CEEERO C[N@H+](CC1CCOCC1)[C@@H]1CCC[C@@](C#N)(NC2CC2)C1 ZINC000093744119 184712159 /nfs/dbraw/zinc/71/21/59/184712159.db2.gz KJSJLGDOCLTVIT-IAGOWNOFSA-N 1 0 291.439 2.302 10 30 CEEERO CC(C)C[C@H](C[NH3+])C(=O)Nc1ccc(CC#N)cc1 ZINC000094697852 184841387 /nfs/dbraw/zinc/84/13/87/184841387.db2.gz PQACRZVZTNFLNT-CYBMUJFWSA-N 1 0 259.353 2.312 10 30 CEEERO C[C@H]1CCC[C@@H](C[NH3+])N1c1c(C#N)nnc2ccccc21 ZINC000085921028 135038488 /nfs/dbraw/zinc/03/84/88/135038488.db2.gz JHXKIQFXKJZJSH-RYUDHWBXSA-N 1 0 281.363 2.208 10 30 CEEERO N#Cc1cc(N2CC[NH2+]CC23CCCCC3)ccn1 ZINC000088396706 135054190 /nfs/dbraw/zinc/05/41/90/135054190.db2.gz NNABMJIZNHRBFL-UHFFFAOYSA-N 1 0 256.353 2.066 10 30 CEEERO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000237929536 394493897 /nfs/dbraw/zinc/49/38/97/394493897.db2.gz ADSLMRZYASZQBZ-NEPJUHHUSA-N 1 0 264.394 2.390 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261755517 394607402 /nfs/dbraw/zinc/60/74/02/394607402.db2.gz UISDXQWZFOCMBX-ZDUSSCGKSA-N 1 0 296.296 2.162 10 30 CEEERO C[C@H](C(=O)N[C@H]1CCC[C@@H]1C#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359672045 394770720 /nfs/dbraw/zinc/77/07/20/394770720.db2.gz JBETWZJMIISCRB-ITGHMWBKSA-N 1 0 263.385 2.056 10 30 CEEERO C[NH2+]CCC1CCN(c2cc(C#N)cc(C)n2)CC1 ZINC000161751239 395065479 /nfs/dbraw/zinc/06/54/79/395065479.db2.gz BHTCXZVSSXEMSM-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCCC#N ZINC000179174090 395182273 /nfs/dbraw/zinc/18/22/73/395182273.db2.gz RZDQBJMUGAMSFM-CQSZACIVSA-N 1 0 280.416 2.100 10 30 CEEERO C[C@H]([NH2+]CC(=O)NCC#N)c1ccc(Cl)c(Cl)c1 ZINC000181528597 395218921 /nfs/dbraw/zinc/21/89/21/395218921.db2.gz VOPIDTBNOFYWBU-QMMMGPOBSA-N 1 0 286.162 2.284 10 30 CEEERO C[C@H](CC#N)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000181743381 395222741 /nfs/dbraw/zinc/22/27/41/395222741.db2.gz WWABVGHRHGBAAU-CYBMUJFWSA-N 1 0 263.360 2.491 10 30 CEEERO N#Cc1c(Br)cccc1N[C@H]1CC[NH2+]C1 ZINC000165076328 162340406 /nfs/dbraw/zinc/34/04/06/162340406.db2.gz VYZBMMIIUCSGCX-QMMMGPOBSA-N 1 0 266.142 2.095 10 30 CEEERO N#C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000019274980 170768939 /nfs/dbraw/zinc/76/89/39/170768939.db2.gz XAVPKBIZTKFLLU-LBPRGKRZSA-N 1 0 285.269 2.055 10 30 CEEERO CCC[NH2+][C@@H](c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301272 175002006 /nfs/dbraw/zinc/00/20/06/175002006.db2.gz UBCBFIZXXJGMRT-CABCVRRESA-N 1 0 292.404 2.034 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342564 175015676 /nfs/dbraw/zinc/01/56/76/175015676.db2.gz POLSVNUPCGKKIU-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349721 175019201 /nfs/dbraw/zinc/01/92/01/175019201.db2.gz YCENXNOUOHDBFD-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CC)C[C@@H](C)C#N ZINC000043354547 175022787 /nfs/dbraw/zinc/02/27/87/175022787.db2.gz CQBGHPCLDGEVOW-AEGPPILISA-N 1 0 260.385 2.342 10 30 CEEERO CCN(Cc1sccc1C#CC[NH3+])CC(F)(F)F ZINC000043684254 175093034 /nfs/dbraw/zinc/09/30/34/175093034.db2.gz MWUINUCQLFASRH-UHFFFAOYSA-N 1 0 276.327 2.443 10 30 CEEERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](C#N)C(C)C ZINC000044810055 175257480 /nfs/dbraw/zinc/25/74/80/175257480.db2.gz XMPGIZDEBYIEGO-KGLIPLIRSA-N 1 0 267.417 2.409 10 30 CEEERO C[C@H](CNc1ccc(C#N)cc1N)[NH+]1CCCCC1 ZINC000044989250 175285501 /nfs/dbraw/zinc/28/55/01/175285501.db2.gz NLVXNCGEPVNLCF-GFCCVEGCSA-N 1 0 258.369 2.427 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000045091836 175305593 /nfs/dbraw/zinc/30/55/93/175305593.db2.gz PHGXANVPCCTBTR-UHFFFAOYSA-N 1 0 276.355 2.254 10 30 CEEERO CCCC(C#N)(CCC)C(=O)NC[C@H](C)[NH+](C)C ZINC000045109501 175309381 /nfs/dbraw/zinc/30/93/81/175309381.db2.gz JHBFUFJZBTZCEO-LBPRGKRZSA-N 1 0 253.390 2.163 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](CC)CCOC ZINC000045316878 175357675 /nfs/dbraw/zinc/35/76/75/175357675.db2.gz DXUUMYISAZZBGN-CQSZACIVSA-N 1 0 255.406 2.017 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316636 175358105 /nfs/dbraw/zinc/35/81/05/175358105.db2.gz RPJKCHWHENXHHM-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](CC)CCOC ZINC000045316912 175358518 /nfs/dbraw/zinc/35/85/18/175358518.db2.gz LTZLTAOOXQUOMC-AWEZNQCLSA-N 1 0 255.406 2.017 10 30 CEEERO CCN[C@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318484 175358829 /nfs/dbraw/zinc/35/88/29/175358829.db2.gz VAIJTKUAOVQTIQ-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO C[C@H]1C[N@H+](Cc2ccc(C#CCO)cc2)CC(C)(C)O1 ZINC000045707213 175382525 /nfs/dbraw/zinc/38/25/25/175382525.db2.gz HFXNIMZUTOGOGP-AWEZNQCLSA-N 1 0 273.376 2.030 10 30 CEEERO CCCC[C@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000050891001 175519876 /nfs/dbraw/zinc/51/98/76/175519876.db2.gz VPKBHOWOQZWYSP-LBPRGKRZSA-N 1 0 276.355 2.444 10 30 CEEERO C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000071210985 176083125 /nfs/dbraw/zinc/08/31/25/176083125.db2.gz GDFJAARMPILHHX-ABAIWWIYSA-N 1 0 274.339 2.054 10 30 CEEERO COCCN(CCC#N)[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000071222449 176087993 /nfs/dbraw/zinc/08/79/93/176087993.db2.gz VZJDUIVYIYFJKD-DOMZBBRYSA-N 1 0 279.359 2.076 10 30 CEEERO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CCCO ZINC000071264629 176097848 /nfs/dbraw/zinc/09/78/48/176097848.db2.gz LWFSQBWNYTZPPT-HNNXBMFYSA-N 1 0 262.328 2.434 10 30 CEEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266838 176100653 /nfs/dbraw/zinc/10/06/53/176100653.db2.gz AZJATVDHOYKOJY-VIFPVBQESA-N 1 0 265.332 2.151 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)NC2CCCCC2)c1 ZINC000071323007 176123299 /nfs/dbraw/zinc/12/32/99/176123299.db2.gz LUZWWQHHGXULFM-UHFFFAOYSA-N 1 0 291.420 2.190 10 30 CEEERO N#C[C@H]1CCC[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401510 176153900 /nfs/dbraw/zinc/15/39/00/176153900.db2.gz QSAOQUHLHGILFD-ILXRZTDVSA-N 1 0 271.364 2.275 10 30 CEEERO C=CCNC(=O)[C@H](CC[NH3+])c1c(C)cc(C)cc1C ZINC000076670938 177053656 /nfs/dbraw/zinc/05/36/56/177053656.db2.gz HYJSOAHHJOTELK-CQSZACIVSA-N 1 0 260.381 2.346 10 30 CEEERO Cc1nn(Cc2ccc(C#CC[NH3+])cc2F)cc1Cl ZINC000080014138 177594958 /nfs/dbraw/zinc/59/49/58/177594958.db2.gz LIVLWHWCLRZFQR-UHFFFAOYSA-N 1 0 277.730 2.343 10 30 CEEERO C=CCC(CC=C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000152659630 260663822 /nfs/dbraw/zinc/66/38/22/260663822.db2.gz WBIHKBFWUXZKRF-CYBMUJFWSA-N 1 0 250.386 2.261 10 30 CEEERO CC[C@@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000174849174 261199381 /nfs/dbraw/zinc/19/93/81/261199381.db2.gz PMEGMHXSKFXABT-HUUCEWRRSA-N 1 0 281.444 2.093 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249581625 261255311 /nfs/dbraw/zinc/25/53/11/261255311.db2.gz RHKYPPUZIZBGJJ-KKUMJFAQSA-N 1 0 281.421 2.083 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCc1c(C)noc1C ZINC000122115085 263300548 /nfs/dbraw/zinc/30/05/48/263300548.db2.gz CTNLXXDPDNSJAZ-UHFFFAOYSA-N 1 0 288.351 2.365 10 30 CEEERO C[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1[NH3+] ZINC000261532401 274362154 /nfs/dbraw/zinc/36/21/54/274362154.db2.gz AYBFGHQUXSMOPV-LDYMZIIASA-N 1 0 280.169 2.104 10 30 CEEERO COc1ccc2c(c1O)[C@@]13CC[N@H+](C)[C@@H](C2)[C@H]1C=CC(=O)C3 ZINC000022066932 295277660 /nfs/dbraw/zinc/27/76/60/295277660.db2.gz SLJDAVMWFVYEFI-QWQRMKEZSA-N 1 0 299.370 2.044 10 30 CEEERO N#Cc1cc(Cl)ccc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390059871 321893086 /nfs/dbraw/zinc/89/30/86/321893086.db2.gz JKEKWJZQLFOPHL-LBPRGKRZSA-N 1 0 265.744 2.002 10 30 CEEERO [NH2+]=C(Nc1cc(F)ccc1F)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000262316932 330005753 /nfs/dbraw/zinc/00/57/53/330005753.db2.gz URXWLRAONPWHQE-XWIASGKRSA-N 1 0 281.306 2.259 10 30 CEEERO CCc1cnc(CNC(N[C@@H]2CCC[C@@H]2C#N)=[NH+]C)s1 ZINC000262349845 330007421 /nfs/dbraw/zinc/00/74/21/330007421.db2.gz DZEJGALILVZRTK-ZYHUDNBSSA-N 1 0 291.424 2.063 10 30 CEEERO CC(C)NC(=[NH2+])NCc1ncoc1-c1ccccc1 ZINC000262431310 330010155 /nfs/dbraw/zinc/01/01/55/330010155.db2.gz BRYWKUPIGYPKGH-UHFFFAOYSA-N 1 0 258.325 2.154 10 30 CEEERO [NH2+]=C(N[C@@H]1COc2ccc(F)cc21)NC1CCCCC1 ZINC000262365746 330010780 /nfs/dbraw/zinc/01/07/80/330010780.db2.gz HQOKSVLBIRLSTQ-CYBMUJFWSA-N 1 0 277.343 2.496 10 30 CEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@@H](OC)C1(C)C ZINC000262443519 330013327 /nfs/dbraw/zinc/01/33/27/330013327.db2.gz UXYQYSGXVMIKCH-ZIAGYGMSSA-N 1 0 291.395 2.373 10 30 CEEERO CC[NH+]=C(NCC(C)(C)SC)N[C@@H]1CCC[C@@H]1C#N ZINC000262448678 330013818 /nfs/dbraw/zinc/01/38/18/330013818.db2.gz VPZGRXXSTZIDHN-VXGBXAGGSA-N 1 0 282.457 2.375 10 30 CEEERO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000262685969 330027145 /nfs/dbraw/zinc/02/71/45/330027145.db2.gz AONYYARBGLGKBC-MJBXVCDLSA-N 1 0 259.353 2.289 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@H](C)C1 ZINC000262796145 330031942 /nfs/dbraw/zinc/03/19/42/330031942.db2.gz PNKOEMRKEMUXTB-XQLPTFJDSA-N 1 0 281.444 2.281 10 30 CEEERO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCc2ccccc21 ZINC000424078657 330221362 /nfs/dbraw/zinc/22/13/62/330221362.db2.gz QEWIISQKWDYRCI-HUUCEWRRSA-N 1 0 271.364 2.201 10 30 CEEERO C#CCN(C)CCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000328048877 330290362 /nfs/dbraw/zinc/29/03/62/330290362.db2.gz YWDSBKGAHMIEBZ-ZDUSSCGKSA-N 1 0 276.428 2.126 10 30 CEEERO C=CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000195329085 331170799 /nfs/dbraw/zinc/17/07/99/331170799.db2.gz MPUYCYMCZWLXTO-OAHLLOKOSA-N 1 0 286.375 2.172 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000194328980 333269134 /nfs/dbraw/zinc/26/91/34/333269134.db2.gz NJGSFHNYZYXISL-OAHLLOKOSA-N 1 0 286.379 2.358 10 30 CEEERO C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H]1[NH+](C)C ZINC000343772906 335218843 /nfs/dbraw/zinc/21/88/43/335218843.db2.gz SXOSUUZXBBCCSK-BBRMVZONSA-N 1 0 257.381 2.135 10 30 CEEERO CCC(C)(C)[N@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000069446192 521302207 /nfs/dbraw/zinc/30/22/07/521302207.db2.gz FZQIFAYLOVVTQS-UHFFFAOYSA-N 1 0 274.408 2.496 10 30 CEEERO C=C(Br)CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360236 518581797 /nfs/dbraw/zinc/58/17/97/518581797.db2.gz IGRPDDFJSIMTRE-WDEREUQCSA-N 1 0 259.191 2.111 10 30 CEEERO CC(C)[NH2+]C[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000068760864 519724631 /nfs/dbraw/zinc/72/46/31/519724631.db2.gz JECNYKBBXJDTOU-MRXNPFEDSA-N 1 0 272.396 2.306 10 30 CEEERO CC(C)C[NH+]1CCN(CC(=O)c2ccc(C#N)cc2)CC1 ZINC000055080100 519725751 /nfs/dbraw/zinc/72/57/51/519725751.db2.gz CBUCYBDXLCRYJT-UHFFFAOYSA-N 1 0 285.391 2.015 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000068616007 520228067 /nfs/dbraw/zinc/22/80/67/520228067.db2.gz JYBYZBPWAKNAGY-ULQDDVLXSA-N 1 0 292.471 2.217 10 30 CEEERO CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049105792 522293587 /nfs/dbraw/zinc/29/35/87/522293587.db2.gz VSONWXCLKJGVMV-CHWSQXEVSA-N 1 0 258.365 2.161 10 30 CEEERO CC[C@H]([NH3+])[C@@](O)(c1cccc(C#N)c1)C(F)(F)F ZINC000062784329 522341528 /nfs/dbraw/zinc/34/15/28/522341528.db2.gz UMROIKADTLJMGZ-QWRGUYRKSA-N 1 0 258.243 2.045 10 30 CEEERO CC[C@@H]([NH3+])Cc1nccn1Cc1cc(C#N)ccc1F ZINC000062803054 522646108 /nfs/dbraw/zinc/64/61/08/522646108.db2.gz CTMQTIZEXPTEQM-CYBMUJFWSA-N 1 0 272.327 2.222 10 30 CEEERO CCc1nnc(N(C)CC[C@@H]([NH3+])C(C)C)c(C#N)c1CC ZINC000156783418 522757966 /nfs/dbraw/zinc/75/79/66/522757966.db2.gz ZDZSXJVRLWTEHI-CQSZACIVSA-N 1 0 289.427 2.283 10 30 CEEERO COc1ccc([C@@H]([C@@H](C)[NH3+])N(C)[C@@H](C)CC#N)cc1 ZINC000063085238 525211755 /nfs/dbraw/zinc/21/17/55/525211755.db2.gz APCMPXGHPBRHCS-YWPYICTPSA-N 1 0 261.369 2.317 10 30 CEEERO Cc1ccc(OCc2ccnc(C#N)c2)c(CC[NH3+])c1 ZINC000068759519 525445208 /nfs/dbraw/zinc/44/52/08/525445208.db2.gz MXNBYZIGVBNHOE-UHFFFAOYSA-N 1 0 267.332 2.342 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000050430421 526003650 /nfs/dbraw/zinc/00/36/50/526003650.db2.gz XQYCFORVOWKXOY-HNNXBMFYSA-N 1 0 279.343 2.375 10 30 CEEERO Cc1nn(Cc2ccc(C#N)cc2F)c(C)c1C[C@@H](C)[NH3+] ZINC000062803225 526288533 /nfs/dbraw/zinc/28/85/33/526288533.db2.gz FMIMKJJVDLTSEG-SNVBAGLBSA-N 1 0 286.354 2.449 10 30 CEEERO Cc1nn(Cc2ccccc2C#N)c(C)c1C[C@@H](C)[NH3+] ZINC000062803223 526296652 /nfs/dbraw/zinc/29/66/52/526296652.db2.gz OUCKQIPFHZZQOT-LLVKDONJSA-N 1 0 268.364 2.310 10 30 CEEERO N#Cc1ccc(N2CCC[C@H]2[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000051360423 526645707 /nfs/dbraw/zinc/64/57/07/526645707.db2.gz PNLHGUVOIUPPFY-STQMWFEESA-N 1 0 286.335 2.187 10 30 CEEERO N#Cc1ccccc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050939970 526742912 /nfs/dbraw/zinc/74/29/12/526742912.db2.gz IBPNEYFPUUJKRB-ZDUSSCGKSA-N 1 0 257.337 2.419 10 30 CEEERO CC[NH2+][C@H](C)c1c(F)cccc1N1CCO[C@H](C#N)C1 ZINC000093932562 535516455 /nfs/dbraw/zinc/51/64/55/535516455.db2.gz IOVJANDIPLGOHE-VXGBXAGGSA-N 1 0 277.343 2.225 10 30 CEEERO C[NH2+][C@@H](C)CNc1cccc(Br)c1C#N ZINC000261538460 623324515 /nfs/dbraw/zinc/32/45/15/623324515.db2.gz YEWKOAWZHLJTNA-QMMMGPOBSA-N 1 0 268.158 2.341 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CCC(C[NH3+])CC1 ZINC000071386052 623382940 /nfs/dbraw/zinc/38/29/40/623382940.db2.gz QBJBGIDBWVQACL-UHFFFAOYSA-N 1 0 266.348 2.282 10 30 CEEERO C[C@@H]1[C@@H]([NH3+])CCN1c1nc2ccccc2cc1C#N ZINC000311927041 627835423 /nfs/dbraw/zinc/83/54/23/627835423.db2.gz FRBKODPMAGQYKI-MFKMUULPSA-N 1 0 252.321 2.032 10 30 CEEERO C[NH2+][C@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 ZINC000261561023 628938497 /nfs/dbraw/zinc/93/84/97/628938497.db2.gz FRCZWDGKXOLQKL-NSHDSACASA-N 1 0 264.760 2.103 10 30 CEEERO CC[N@@H+]1CCC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124750101 187151551 /nfs/dbraw/zinc/15/15/51/187151551.db2.gz QKCUJYAEUXUVPM-GFCCVEGCSA-N 1 0 274.324 2.363 10 30 CEEERO C[C@@]1(CNc2cc(C#N)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000124908481 187160671 /nfs/dbraw/zinc/16/06/71/187160671.db2.gz INHZUVOQKSHJGV-CQSZACIVSA-N 1 0 274.324 2.268 10 30 CEEERO N#Cc1cc(N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000127861839 187336994 /nfs/dbraw/zinc/33/69/94/187336994.db2.gz GZRUTIDJGAVPAC-GWCFXTLKSA-N 1 0 274.324 2.396 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[NH2+]1 ZINC000044493126 343472516 /nfs/dbraw/zinc/47/25/16/343472516.db2.gz MGMVHUBNNPXGBO-LLVKDONJSA-N 1 0 260.297 2.020 10 30 CEEERO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128604364 365796840 /nfs/dbraw/zinc/79/68/40/365796840.db2.gz JBYJPICXGXZQRX-AWEZNQCLSA-N 1 0 275.400 2.320 10 30 CEEERO CC[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1[NH3+] ZINC000122959899 344308775 /nfs/dbraw/zinc/30/87/75/344308775.db2.gz MZHXBCFYTRICHS-DOMZBBRYSA-N 1 0 284.407 2.396 10 30 CEEERO CCCCCCCCCON1C(=N)NC(=[NH2+])NC1(C)C ZINC000137190889 344386921 /nfs/dbraw/zinc/38/69/21/344386921.db2.gz CPUQZOMKEFNBJV-UHFFFAOYSA-N 1 0 283.420 2.350 10 30 CEEERO C[NH+](C)CC#Cc1ccncc1NC(=O)OC(C)(C)C ZINC000143900004 344406714 /nfs/dbraw/zinc/40/67/14/344406714.db2.gz XOTRDEJTZNVHKT-UHFFFAOYSA-N 1 0 275.352 2.342 10 30 CEEERO N#Cc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)ccn1 ZINC000227361188 344552314 /nfs/dbraw/zinc/55/23/14/344552314.db2.gz VXXHPKXPIFZQKP-GOEBONIOSA-N 1 0 271.364 2.080 10 30 CEEERO N#Cc1ccc(N2CCc3ccccc3[C@H]2C[NH3+])cn1 ZINC000227724139 344556387 /nfs/dbraw/zinc/55/63/87/344556387.db2.gz DMTFLRKBVIPTNB-MRXNPFEDSA-N 1 0 264.332 2.016 10 30 CEEERO C#CCN[C@H](C)c1cc(Br)ncc1F ZINC000307657943 344723818 /nfs/dbraw/zinc/72/38/18/344723818.db2.gz BSDBLBZWYSLDQT-SSDOTTSWSA-N 1 0 257.106 2.267 10 30 CEEERO C#CCN[C@@H](C)c1cc(Br)ncc1F ZINC000307657950 344723877 /nfs/dbraw/zinc/72/38/77/344723877.db2.gz BSDBLBZWYSLDQT-ZETCQYMHSA-N 1 0 257.106 2.267 10 30 CEEERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000300590677 344700679 /nfs/dbraw/zinc/70/06/79/344700679.db2.gz UXYGYRXKXIMWGY-YCPHGPKFSA-N 1 0 274.364 2.076 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)CC1([NH3+])CCCC1 ZINC000084182583 178817043 /nfs/dbraw/zinc/81/70/43/178817043.db2.gz RXQGOVLEZPSPTE-UHFFFAOYSA-N 1 0 275.352 2.183 10 30 CEEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cc(F)ccc1F ZINC000591595238 345268002 /nfs/dbraw/zinc/26/80/02/345268002.db2.gz VYDIVVDSKSUHBN-RNCFNFMXSA-N 1 0 281.306 2.163 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC(COC)CC1 ZINC000084295530 178848701 /nfs/dbraw/zinc/84/87/01/178848701.db2.gz IHBJSOYFZLGVHW-UKRRQHHQSA-N 1 0 267.417 2.015 10 30 CEEERO N#CCCN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085357535 179030912 /nfs/dbraw/zinc/03/09/12/179030912.db2.gz USUGNKSMJCNHPO-GJZGRUSLSA-N 1 0 271.364 2.451 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368150 179037927 /nfs/dbraw/zinc/03/79/27/179037927.db2.gz LHDNLLZJNJCPHF-CABCVRRESA-N 1 0 271.364 2.034 10 30 CEEERO CC(=O)O/N=C(/c1ccc(F)cc1F)C1CC[NH2+]CC1 ZINC000085484736 179080279 /nfs/dbraw/zinc/08/02/79/179080279.db2.gz WCXWCTJJYPQSJB-NBVRZTHBSA-N 1 0 282.290 2.232 10 30 CEEERO Cc1ccc(CN2C[C@H](C)[C@H]([NH+](C)C)C2)cc1C#N ZINC000599338699 346501535 /nfs/dbraw/zinc/50/15/35/346501535.db2.gz VRRVBAPXJPGPDE-XJKSGUPXSA-N 1 0 257.381 2.249 10 30 CEEERO CCc1nnc(N[C@@H]2CC[C@H](C)[NH2+]C2)c(C#N)c1CC ZINC000600955230 346716230 /nfs/dbraw/zinc/71/62/30/346716230.db2.gz KQQGTYCNKYJWNO-WDEREUQCSA-N 1 0 273.384 2.025 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2c(C#N)cnc3ccccc32)C[NH2+]1 ZINC000600955418 346716904 /nfs/dbraw/zinc/71/69/04/346716904.db2.gz MFJDUVQOUQIGRY-DGCLKSJQSA-N 1 0 266.348 2.081 10 30 CEEERO N#Cc1ncccc1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000600961150 346719474 /nfs/dbraw/zinc/71/94/74/346719474.db2.gz MWYFALYFXJGOGK-CQSZACIVSA-N 1 0 266.348 2.325 10 30 CEEERO [NH3+]Cc1ccccc1NC(=O)C#Cc1ccccc1 ZINC000085810376 179177402 /nfs/dbraw/zinc/17/74/02/179177402.db2.gz PRXAKZPFOZGBKE-UHFFFAOYSA-N 1 0 250.301 2.136 10 30 CEEERO C=CC[NH2+]CCN1CCN(c2ccccc2Cl)CC1 ZINC000053374557 136708076 /nfs/dbraw/zinc/70/80/76/136708076.db2.gz QWHXHDMTYRQVQQ-UHFFFAOYSA-N 1 0 279.815 2.238 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@H]([C@@H](C)[NH3+])C2)n1 ZINC000070175209 136708500 /nfs/dbraw/zinc/70/85/00/136708500.db2.gz DTWOXFMTBAZXIN-OLZOCXBDSA-N 1 0 258.369 2.134 10 30 CEEERO N#Cc1nnc2ccccc2c1NC[C@@H]1CCCC[NH2+]1 ZINC000085920770 179200597 /nfs/dbraw/zinc/20/05/97/179200597.db2.gz JAFGMJUXHKGBSX-NSHDSACASA-N 1 0 267.336 2.055 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CC2)C1=O ZINC000086115348 179234390 /nfs/dbraw/zinc/23/43/90/179234390.db2.gz XEGDFGYPEYOLAL-LBPRGKRZSA-N 1 0 275.739 2.069 10 30 CEEERO N#Cc1cccc([C@H]2c3ccccc3CCN2CC[NH3+])c1 ZINC000616585563 348526903 /nfs/dbraw/zinc/52/69/03/348526903.db2.gz QGJSIFMQGKFQLZ-SFHVURJKSA-N 1 0 277.371 2.464 10 30 CEEERO CC(C)[C@H]1CCCN1C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000088850874 179683090 /nfs/dbraw/zinc/68/30/90/179683090.db2.gz IBRFSHXHUKNHIU-MRXNPFEDSA-N 1 0 288.366 2.397 10 30 CEEERO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089111321 179706223 /nfs/dbraw/zinc/70/62/23/179706223.db2.gz BQZQZFBWTXPVOI-GXTWGEPZSA-N 1 0 272.352 2.149 10 30 CEEERO CN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112666 179707024 /nfs/dbraw/zinc/70/70/24/179707024.db2.gz KOLXYRJMOLERGA-VXGBXAGGSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@]1(CNc2c(C#N)nnc3ccccc32)CCC[NH2+]C1 ZINC000129394287 187427897 /nfs/dbraw/zinc/42/78/97/187427897.db2.gz CAEJBHVUEICCMM-MRXNPFEDSA-N 1 0 281.363 2.303 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1F ZINC000404162558 233192638 /nfs/dbraw/zinc/19/26/38/233192638.db2.gz QUHUJZAZRAXGBV-ZNMIVQPWSA-N 1 0 274.339 2.290 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089392817 179779594 /nfs/dbraw/zinc/77/95/94/179779594.db2.gz VKSNYGAQSCWZLA-HIFRSBDPSA-N 1 0 289.379 2.287 10 30 CEEERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1cc(Cl)ccc1C#N ZINC000090328487 179959969 /nfs/dbraw/zinc/95/99/69/179959969.db2.gz VWGKHVHVYMYLAO-XWIASGKRSA-N 1 0 261.756 2.256 10 30 CEEERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc(C#N)cc1Cl ZINC000090313597 179956452 /nfs/dbraw/zinc/95/64/52/179956452.db2.gz QIGDIFZKRSMPEO-UHTWSYAYSA-N 1 0 265.744 2.128 10 30 CEEERO C[C@@H](OCc1ccc(C#CC[NH3+])cc1)C(F)(F)F ZINC000090673669 180021693 /nfs/dbraw/zinc/02/16/93/180021693.db2.gz BPTOBJJBISKLAX-SNVBAGLBSA-N 1 0 257.255 2.464 10 30 CEEERO C[C@H](OCc1ccccc1C#CC[NH3+])C(F)(F)F ZINC000090673672 180021916 /nfs/dbraw/zinc/02/19/16/180021916.db2.gz AVFBMDCCODEODM-JTQLQIEISA-N 1 0 257.255 2.464 10 30 CEEERO [NH3+]CC#Cc1cccc(OC[C@@H]2Cc3ccccc3O2)c1 ZINC000090876385 180051894 /nfs/dbraw/zinc/05/18/94/180051894.db2.gz CYBNBIFGEOYXEY-KRWDZBQOSA-N 1 0 279.339 2.379 10 30 CEEERO C=CCN(C(=O)C[C@H]1CSCC[NH2+]1)C1CCCC1 ZINC000091136582 180104566 /nfs/dbraw/zinc/10/45/66/180104566.db2.gz JMCIVIROHNAEGX-LBPRGKRZSA-N 1 0 268.426 2.039 10 30 CEEERO C[C@@H](CCO)SCc1ccc(F)cc1C#CC[NH3+] ZINC000091266325 180117287 /nfs/dbraw/zinc/11/72/87/180117287.db2.gz NBCPFUMHTSANPJ-NSHDSACASA-N 1 0 267.369 2.140 10 30 CEEERO CC(C)CN(CC(C)C)C(=O)c1ccncc1C#CC[NH3+] ZINC000091461877 180161810 /nfs/dbraw/zinc/16/18/10/180161810.db2.gz CETWAYRYZIAQPT-UHFFFAOYSA-N 1 0 287.407 2.146 10 30 CEEERO C[NH+](C)[C@@H]1CCCN(C(=O)C2(C#N)CCCCCC2)C1 ZINC000091393200 180145691 /nfs/dbraw/zinc/14/56/91/180145691.db2.gz NFLRMLZNSRXPDA-CQSZACIVSA-N 1 0 277.412 2.403 10 30 CEEERO C=CCCC[C@H]([NH2+]CC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722042 180240034 /nfs/dbraw/zinc/24/00/34/180240034.db2.gz PTSXFHCYNSNXRJ-QLFBSQMISA-N 1 0 252.402 2.184 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)N2CCCC2)c1 ZINC000091968698 180294525 /nfs/dbraw/zinc/29/45/25/180294525.db2.gz QGFUWJXRAAMQSL-UHFFFAOYSA-N 1 0 277.755 2.278 10 30 CEEERO C[NH2+]C1CCC(N(C)c2nc3c(cc2C#N)CCC3)CC1 ZINC000091873617 180278919 /nfs/dbraw/zinc/27/89/19/180278919.db2.gz ADQHWWKLPSEEGP-UHFFFAOYSA-N 1 0 284.407 2.409 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(OC(F)F)c1 ZINC000092473988 180393729 /nfs/dbraw/zinc/39/37/29/180393729.db2.gz RDWYUHMRRLAQJC-UHFFFAOYSA-N 1 0 256.252 2.002 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@@H]1C1CCCCC1 ZINC000092474861 180394184 /nfs/dbraw/zinc/39/41/84/180394184.db2.gz VMCCBSZVRAEEOF-CQSZACIVSA-N 1 0 250.386 2.333 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000130540422 365966122 /nfs/dbraw/zinc/96/61/22/365966122.db2.gz YOSKJVICNBYEEQ-ZDUSSCGKSA-N 1 0 258.369 2.371 10 30 CEEERO CCN(CCOc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000110942796 186334950 /nfs/dbraw/zinc/33/49/50/186334950.db2.gz NQEPXUKTNYKQAS-HNNXBMFYSA-N 1 0 273.380 2.011 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000110959856 186336161 /nfs/dbraw/zinc/33/61/61/186336161.db2.gz JJHGZRGHDPPXOX-OLZOCXBDSA-N 1 0 276.380 2.345 10 30 CEEERO N#CCc1nc2ccccc2n1[C@@H](C[NH3+])c1ccccn1 ZINC000110951732 186337073 /nfs/dbraw/zinc/33/70/73/186337073.db2.gz OMNZEXJORYNAEZ-HNNXBMFYSA-N 1 0 277.331 2.045 10 30 CEEERO CC[C@H]1CN(CCCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000110718816 186315469 /nfs/dbraw/zinc/31/54/69/186315469.db2.gz HTRGAXKHMRHNGE-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO CC[C@@H]1CN(CCCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000110718804 186316065 /nfs/dbraw/zinc/31/60/65/186316065.db2.gz JAKCJTHWTNXNNE-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCCO)C[C@H]1CCCOC1 ZINC000111168159 186364173 /nfs/dbraw/zinc/36/41/73/186364173.db2.gz JUMYPIBFUKFKFP-MRXNPFEDSA-N 1 0 287.403 2.279 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](C)CC1CCOCC1 ZINC000111169325 186365133 /nfs/dbraw/zinc/36/51/33/186365133.db2.gz MKVIJPPJZNZMOJ-MRXNPFEDSA-N 1 0 281.444 2.407 10 30 CEEERO CN[C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169046 186365195 /nfs/dbraw/zinc/36/51/95/186365195.db2.gz HIGFSWHZMJQHLN-LSDHHAIUSA-N 1 0 267.417 2.017 10 30 CEEERO C[C@H]1CCC[C@]([NH3+])(c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000111283922 186389564 /nfs/dbraw/zinc/38/95/64/186389564.db2.gz BPZRDTDZMVHQGD-ZUZCIYMTSA-N 1 0 283.335 2.367 10 30 CEEERO CCC[NH2+][C@@H](C)c1nnc(-c2ccc(C#N)cn2)o1 ZINC000111284429 186389798 /nfs/dbraw/zinc/38/97/98/186389798.db2.gz PPKMWHKYAQSSTN-VIFPVBQESA-N 1 0 257.297 2.064 10 30 CEEERO CC1(C[NH2+]C[C@H](O)COc2cccc(C#N)c2)CCCC1 ZINC000111621156 186433243 /nfs/dbraw/zinc/43/32/43/186433243.db2.gz ZYEFXXNCVARGGJ-HNNXBMFYSA-N 1 0 288.391 2.468 10 30 CEEERO C[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1[NH+](C)C ZINC000124138098 187123839 /nfs/dbraw/zinc/12/38/39/187123839.db2.gz WUZUQGZEDNYSGC-NHYWBVRUSA-N 1 0 261.344 2.079 10 30 CEEERO C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000171071304 188713226 /nfs/dbraw/zinc/71/32/26/188713226.db2.gz NSDVDSMYGSKUBE-GFCCVEGCSA-N 1 0 292.770 2.379 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252844215 283108392 /nfs/dbraw/zinc/10/83/92/283108392.db2.gz DLWTWOATWVARCE-LEWSCRJBSA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1cc2c(nc1N1CC[C@@]3(CC[NH2+]C3)C1)CCCC2 ZINC000261698469 283116234 /nfs/dbraw/zinc/11/62/34/283116234.db2.gz NXCTXSRZPJOLEQ-QGZVFWFLSA-N 1 0 282.391 2.022 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000252871645 283171794 /nfs/dbraw/zinc/17/17/94/283171794.db2.gz SYDOLFTZFPNKSH-AVGNSLFASA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000236213544 283180141 /nfs/dbraw/zinc/18/01/41/283180141.db2.gz XUYBLPORRXHLJG-ZDUSSCGKSA-N 1 0 274.324 2.396 10 30 CEEERO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCS1 ZINC000134342521 366310019 /nfs/dbraw/zinc/31/00/19/366310019.db2.gz HNODJBFYYAFJCW-LBPRGKRZSA-N 1 0 262.378 2.374 10 30 CEEERO N#Cc1cccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000126668835 283209852 /nfs/dbraw/zinc/20/98/52/283209852.db2.gz YFKKMWARTOGPNW-XQQFMLRXSA-N 1 0 286.335 2.030 10 30 CEEERO CC[N@@H+]1CCc2c(cccc2Nc2ccc(C#N)nn2)C1 ZINC000301915512 201262084 /nfs/dbraw/zinc/26/20/84/201262084.db2.gz DHURDKAHRAXCSB-UHFFFAOYSA-N 1 0 279.347 2.470 10 30 CEEERO CCCCNC(=[NH2+])Nc1nc2ccccc2nc1C ZINC000027903963 361661310 /nfs/dbraw/zinc/66/13/10/361661310.db2.gz KWKXMDLCBBVYLO-UHFFFAOYSA-N 1 0 257.341 2.274 10 30 CEEERO CC[C@@H]([NH3+])CNc1nc(C(F)(F)F)ccc1C#N ZINC000094337464 364265841 /nfs/dbraw/zinc/26/58/41/364265841.db2.gz ZTCXLMUZZRTNIR-MRVPVSSYSA-N 1 0 258.247 2.121 10 30 CEEERO N#Cc1ccc(N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000094592263 364281234 /nfs/dbraw/zinc/28/12/34/364281234.db2.gz VXWLYBFMEPHYKL-LLVKDONJSA-N 1 0 274.324 2.032 10 30 CEEERO N#Cc1cc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)ccc1F ZINC000120507032 365434136 /nfs/dbraw/zinc/43/41/36/365434136.db2.gz JHQNRHWSBZKCOT-CQSZACIVSA-N 1 0 299.353 2.201 10 30 CEEERO N#Cc1ccccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246182346 370922931 /nfs/dbraw/zinc/92/29/31/370922931.db2.gz KWRBDIAJBHINJP-INIZCTEOSA-N 1 0 255.365 2.228 10 30 CEEERO CCN(CCC[NH+](C)C)c1cc(C)nc(C)c1C#N ZINC000230405694 370460170 /nfs/dbraw/zinc/46/01/70/370460170.db2.gz SUPAUBLBOGNAEG-UHFFFAOYSA-N 1 0 260.385 2.348 10 30 CEEERO Cc1cc(C#N)nc(NCC[NH2+]C2CCCCCC2)n1 ZINC000231943954 370498518 /nfs/dbraw/zinc/49/85/18/370498518.db2.gz OOWUGZLFWUDOFH-UHFFFAOYSA-N 1 0 273.384 2.381 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1C#N ZINC000246996370 371043809 /nfs/dbraw/zinc/04/38/09/371043809.db2.gz PRZHQEWWFNCXBF-OLZOCXBDSA-N 1 0 289.404 2.319 10 30 CEEERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@H]1[NH3+] ZINC000251840489 371419038 /nfs/dbraw/zinc/41/90/38/371419038.db2.gz QKSPHMHDMYMPEY-PSASIEDQSA-N 1 0 284.285 2.146 10 30 CEEERO N#Cc1ccc(OCCCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000252443529 371437873 /nfs/dbraw/zinc/43/78/73/371437873.db2.gz ZMOCWVQKYYGMBJ-INIZCTEOSA-N 1 0 285.391 2.107 10 30 CEEERO C[C@@H](CCC[NH3+])Nc1ncc(Br)cc1C#N ZINC000309317953 376589057 /nfs/dbraw/zinc/58/90/57/376589057.db2.gz OIUMUJFSWBFVFS-QMMMGPOBSA-N 1 0 283.173 2.255 10 30 CEEERO C#CCOc1ccccc1C[NH2+]C[C@H](O)C(C)(C)C ZINC000264864266 190139694 /nfs/dbraw/zinc/13/96/94/190139694.db2.gz PPPXCJBUFXIEFY-HNNXBMFYSA-N 1 0 261.365 2.195 10 30 CEEERO COc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc1C#N ZINC000266173782 190237305 /nfs/dbraw/zinc/23/73/05/190237305.db2.gz DGPWAQDTAPOFKF-CQSZACIVSA-N 1 0 262.353 2.063 10 30 CEEERO N#Cc1cccc(NC(=O)OC[C@H]2CCCC[NH2+]2)c1 ZINC000092742919 184624621 /nfs/dbraw/zinc/62/46/21/184624621.db2.gz VKDWXBNXIBRFCW-CYBMUJFWSA-N 1 0 259.309 2.249 10 30 CEEERO N#Cc1cccc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000081597039 177829473 /nfs/dbraw/zinc/82/94/73/177829473.db2.gz SGUAHOAMPKLDNQ-UHFFFAOYSA-N 1 0 252.321 2.067 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCCN1C[C@@H](C#N)c1ccccc1 ZINC000080787110 177706561 /nfs/dbraw/zinc/70/65/61/177706561.db2.gz RHROQCYCJDPEGY-FVQBIDKESA-N 1 0 257.381 2.495 10 30 CEEERO COC[C@@H]1CC[N@H+](CC[C@@H]2CCC[C@@]2(C#N)NC2CC2)C1 ZINC000093574214 184691529 /nfs/dbraw/zinc/69/15/29/184691529.db2.gz BKLYWDBEXJEYJN-VYDXJSESSA-N 1 0 291.439 2.159 10 30 CEEERO C[C@@H]([NH3+])Cc1ccc(OCc2cccc(C#N)c2)cn1 ZINC000094215609 184763877 /nfs/dbraw/zinc/76/38/77/184763877.db2.gz OMHGWZFGCDUVTH-GFCCVEGCSA-N 1 0 267.332 2.422 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000094592253 184822422 /nfs/dbraw/zinc/82/24/22/184822422.db2.gz HMWZUZDCVVUHRL-GFCCVEGCSA-N 1 0 260.297 2.020 10 30 CEEERO CC(C)C[C@H](C[NH3+])C(=O)N(C)Cc1cccc(C#N)c1 ZINC000094698542 184842621 /nfs/dbraw/zinc/84/26/21/184842621.db2.gz GNBIBZOSIHBZOG-OAHLLOKOSA-N 1 0 273.380 2.138 10 30 CEEERO N#Cc1nnc2ccccc2c1N1CCCC[C@H]1CC[NH3+] ZINC000085921017 135038639 /nfs/dbraw/zinc/03/86/39/135038639.db2.gz WQQROKGIXHLWCT-LBPRGKRZSA-N 1 0 281.363 2.209 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@@H]1CCC[NH2+]C1 ZINC000071397640 394589281 /nfs/dbraw/zinc/58/92/81/394589281.db2.gz VXDBWQSCFQJCAN-GFCCVEGCSA-N 1 0 252.321 2.270 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261581298 394603569 /nfs/dbraw/zinc/60/35/69/394603569.db2.gz QNOYCZSBOLPQPN-AWEZNQCLSA-N 1 0 261.756 2.401 10 30 CEEERO CC#CCC[N@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000155527865 395028366 /nfs/dbraw/zinc/02/83/66/395028366.db2.gz CBLILRLYCPTSCG-HNNXBMFYSA-N 1 0 292.448 2.467 10 30 CEEERO C[C@@H](C[NH3+])CNc1cccc(Br)c1C#N ZINC000420222437 395283105 /nfs/dbraw/zinc/28/31/05/395283105.db2.gz WTIKUXHDDSKNTO-QMMMGPOBSA-N 1 0 268.158 2.327 10 30 CEEERO C#CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000192169056 395375270 /nfs/dbraw/zinc/37/52/70/395375270.db2.gz DYPZVTBXLSOIEY-HNNXBMFYSA-N 1 0 272.392 2.427 10 30 CEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000193182169 395402937 /nfs/dbraw/zinc/40/29/37/395402937.db2.gz IPZSVEBSNQKYBV-FZMZJTMJSA-N 1 0 279.409 2.453 10 30 CEEERO COCC[NH2+]CCNc1ccc(C(F)(F)F)cc1C#N ZINC000215503671 153291978 /nfs/dbraw/zinc/29/19/78/153291978.db2.gz SHPLWUSQBLTSSC-UHFFFAOYSA-N 1 0 287.285 2.225 10 30 CEEERO COCC[NH2+]CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000215504349 153293841 /nfs/dbraw/zinc/29/38/41/153293841.db2.gz RZFNWVBTYDXTAA-UHFFFAOYSA-N 1 0 287.285 2.225 10 30 CEEERO CC(C)([NH3+])CNc1ccc(C#N)cc1Br ZINC000169228536 165038660 /nfs/dbraw/zinc/03/86/60/165038660.db2.gz GQKYMKBLAOPMJA-UHFFFAOYSA-N 1 0 268.158 2.470 10 30 CEEERO CC1([NH2+]C[C@H](O)COc2ccccc2C#N)CCCC1 ZINC000042186239 174653040 /nfs/dbraw/zinc/65/30/40/174653040.db2.gz HVTLHNAPJSRXIN-AWEZNQCLSA-N 1 0 274.364 2.220 10 30 CEEERO COCC[N@@H+](Cc1ccccc1C#CCO)CC(C)C ZINC000042370661 174700816 /nfs/dbraw/zinc/70/08/16/174700816.db2.gz RHUPHERTXUVRDF-UHFFFAOYSA-N 1 0 275.392 2.135 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](C[NH3+])c1ccco1 ZINC000043336659 175012663 /nfs/dbraw/zinc/01/26/63/175012663.db2.gz JKNNDIVHKVIRKM-AWEZNQCLSA-N 1 0 258.277 2.239 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355396 175023191 /nfs/dbraw/zinc/02/31/91/175023191.db2.gz SNEPINAENIXPIA-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO [NH3+]CC#Cc1ccc(COC[C@H]2CCCCO2)s1 ZINC000043685051 175094027 /nfs/dbraw/zinc/09/40/27/175094027.db2.gz VPDPBVNJKGBSFI-GFCCVEGCSA-N 1 0 265.378 2.144 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732457 175241339 /nfs/dbraw/zinc/24/13/39/175241339.db2.gz QITXLNIKQGXBGU-ABAIWWIYSA-N 1 0 274.364 2.092 10 30 CEEERO N#CC1(C(=O)N[C@H]2C[NH+]3CCC2CC3)CCCCCC1 ZINC000044765007 175248573 /nfs/dbraw/zinc/24/85/73/175248573.db2.gz ATBXILIDEPETLP-AWEZNQCLSA-N 1 0 275.396 2.061 10 30 CEEERO CC[NH+]1CCC(N(C)C(=O)C2(C#N)CCCCC2)CC1 ZINC000044767155 175249765 /nfs/dbraw/zinc/24/97/65/175249765.db2.gz GPTHOGOICRVRLG-UHFFFAOYSA-N 1 0 277.412 2.403 10 30 CEEERO C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C#N)CCCCCC1 ZINC000044767404 175249898 /nfs/dbraw/zinc/24/98/98/175249898.db2.gz ROXMTIPYXVTMEK-AWEZNQCLSA-N 1 0 277.412 2.451 10 30 CEEERO C[N@H+](CC(=O)Nc1ccccc1C#N)CC(C)(C)C ZINC000045073491 175302561 /nfs/dbraw/zinc/30/25/61/175302561.db2.gz QVAYNNGMCXRFDW-UHFFFAOYSA-N 1 0 259.353 2.475 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000045091835 175305933 /nfs/dbraw/zinc/30/59/33/175305933.db2.gz VGWHDYPFMDFRLR-UHFFFAOYSA-N 1 0 276.355 2.254 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045182599 175325698 /nfs/dbraw/zinc/32/56/98/175325698.db2.gz SQEHZJLEDJXYGC-GOEBONIOSA-N 1 0 281.444 2.405 10 30 CEEERO C[C@@](N)(C#N)CCCC[N@@H+]1CCc2ccccc2C1 ZINC000045307622 175355658 /nfs/dbraw/zinc/35/56/58/175355658.db2.gz APVGOMHBQJOZBU-INIZCTEOSA-N 1 0 257.381 2.456 10 30 CEEERO CC[NH+]1CCN(CCCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045306541 175355896 /nfs/dbraw/zinc/35/58/96/175355896.db2.gz UZNWKOSQBQSDTC-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCCN1CCC([NH+](C)C)CC1 ZINC000045311163 175356648 /nfs/dbraw/zinc/35/66/48/175356648.db2.gz XELUCWNJIXHANP-QGZVFWFLSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1 ZINC000045311922 175357007 /nfs/dbraw/zinc/35/70/07/175357007.db2.gz XNKWINWQLBYKKO-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO COC[C@@H](C)[N@H+](C)CCCC[C@@](C)(C#N)NC1CC1 ZINC000045314673 175357252 /nfs/dbraw/zinc/35/72/52/175357252.db2.gz DSSUUFGVHWKBPG-HIFRSBDPSA-N 1 0 267.417 2.158 10 30 CEEERO CC[N@H+](CCC[C@](C)(C#N)NC1CC1)[C@@H](C)COC ZINC000045314233 175357609 /nfs/dbraw/zinc/35/76/09/175357609.db2.gz XDACNCQKTPHODC-DZGCQCFKSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045317401 175357727 /nfs/dbraw/zinc/35/77/27/175357727.db2.gz ZUQSVSZGRMPFCJ-HOCLYGCPSA-N 1 0 281.444 2.405 10 30 CEEERO COCC[NH+](CCCC[C@@](C)(C#N)NC(C)C)CCOC ZINC000045318621 175358950 /nfs/dbraw/zinc/35/89/50/175358950.db2.gz LLWNCLWEFRVEEQ-INIZCTEOSA-N 1 0 299.459 2.032 10 30 CEEERO C#CCOc1ccc2ccccc2c1C[NH2+]C[C@H](C)O ZINC000045946101 175388012 /nfs/dbraw/zinc/38/80/12/175388012.db2.gz PNEHQEOOLSFNQF-ZDUSSCGKSA-N 1 0 269.344 2.322 10 30 CEEERO C[C@@H]1CCC[N@H+](CCOc2cccc(C#CCO)c2)C1 ZINC000049616027 175494251 /nfs/dbraw/zinc/49/42/51/175494251.db2.gz GMOZBHREMLNDHV-OAHLLOKOSA-N 1 0 273.376 2.141 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC[NH2+]C1 ZINC000052093752 175532071 /nfs/dbraw/zinc/53/20/71/175532071.db2.gz DFDWFVTUSWIGCT-SNVBAGLBSA-N 1 0 255.243 2.351 10 30 CEEERO C[C@H]1CCC[C@H]1NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000071210988 176083096 /nfs/dbraw/zinc/08/30/96/176083096.db2.gz GDFJAARMPILHHX-XHDPSFHLSA-N 1 0 274.339 2.054 10 30 CEEERO C[C@@H]1CCC[C@H]1NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000071210983 176083214 /nfs/dbraw/zinc/08/32/14/176083214.db2.gz HHJLDNBINKPUMF-IAQYHMDHSA-N 1 0 274.339 2.054 10 30 CEEERO COCCN(CCC#N)[C@H](C[NH3+])c1ccccc1Cl ZINC000071222337 176087440 /nfs/dbraw/zinc/08/74/40/176087440.db2.gz CCDLQBWAXNZSJV-CQSZACIVSA-N 1 0 281.787 2.202 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1F)N(CCC#N)CCOC ZINC000071222480 176088022 /nfs/dbraw/zinc/08/80/22/176088022.db2.gz ZOSVMQKISKMZHB-HZPDHXFCSA-N 1 0 293.386 2.466 10 30 CEEERO C[C@H](Cc1cccs1)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000071273683 176105710 /nfs/dbraw/zinc/10/57/10/176105710.db2.gz DCXYYXKSTXXKRK-CYBMUJFWSA-N 1 0 298.411 2.419 10 30 CEEERO Cc1ccccc1C(=O)NCc1ccc(C#CC[NH3+])s1 ZINC000071322621 176123040 /nfs/dbraw/zinc/12/30/40/176123040.db2.gz SLXYZRNEACDZAE-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO Cc1cccc(C(=O)NCc2cc(C#CC[NH3+])cs2)c1 ZINC000071322232 176123056 /nfs/dbraw/zinc/12/30/56/176123056.db2.gz WDQNBJRIBPGFMB-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO CN(c1nc2ccccc2cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000071386156 176147491 /nfs/dbraw/zinc/14/74/91/176147491.db2.gz AEWKJMJVXCPMRB-AWEZNQCLSA-N 1 0 266.348 2.295 10 30 CEEERO N#Cc1cc2ccccc2nc1N[C@H]1CCC[C@H]1[NH3+] ZINC000071386118 176147494 /nfs/dbraw/zinc/14/74/94/176147494.db2.gz MLFUMWBPMSAGKX-OCCSQVGLSA-N 1 0 252.321 2.398 10 30 CEEERO C[NH+](C)CCCOc1nc2ccccc2cc1C#N ZINC000071390616 176148341 /nfs/dbraw/zinc/14/83/41/176148341.db2.gz KKSBAERTMLOJHK-UHFFFAOYSA-N 1 0 255.321 2.437 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000071412105 176157578 /nfs/dbraw/zinc/15/75/78/176157578.db2.gz WGOQVMJLOKOIGT-ZFWWWQNUSA-N 1 0 290.407 2.344 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2OC)C1C#N ZINC000071678686 176243453 /nfs/dbraw/zinc/24/34/53/176243453.db2.gz NGKZSCJLPAETAU-CYBMUJFWSA-N 1 0 287.363 2.057 10 30 CEEERO C[C@H](CC[NH3+])CCC(=O)N(C)Cc1cccc(C#N)c1 ZINC000079118397 177436298 /nfs/dbraw/zinc/43/62/98/177436298.db2.gz WCUXNXKQWPMNJW-ZDUSSCGKSA-N 1 0 273.380 2.282 10 30 CEEERO CC(C)(CCC#N)C[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000174361683 261568532 /nfs/dbraw/zinc/56/85/32/261568532.db2.gz LFJOGDLDGBMPLP-AWEZNQCLSA-N 1 0 287.411 2.365 10 30 CEEERO CC(C)C1([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000292919489 265785150 /nfs/dbraw/zinc/78/51/50/265785150.db2.gz GCEVDGIBTRGMLN-AWEZNQCLSA-N 1 0 274.364 2.076 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cccc(C#N)n1 ZINC000094447260 274372914 /nfs/dbraw/zinc/37/29/14/274372914.db2.gz XVRMQJTYZNZOPW-TZMCWYRMSA-N 1 0 256.353 2.016 10 30 CEEERO C[C@@H]1[C@H]([NH3+])CCN1c1c(C#N)cnc2ccccc21 ZINC000261629210 274438100 /nfs/dbraw/zinc/43/81/00/274438100.db2.gz VPXBMLWNKVJUOB-ZWNOBZJWSA-N 1 0 252.321 2.032 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000110651680 278305056 /nfs/dbraw/zinc/30/50/56/278305056.db2.gz YMBDLWIJMHAOBH-SNVBAGLBSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CCS1 ZINC000134342411 280018573 /nfs/dbraw/zinc/01/85/73/280018573.db2.gz QVGTVQFEMJPQEH-LBPRGKRZSA-N 1 0 262.378 2.374 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc(C#N)cc1 ZINC000245416909 280238298 /nfs/dbraw/zinc/23/82/98/280238298.db2.gz FOZCUOQGOCFSNO-IRXDYDNUSA-N 1 0 299.418 2.496 10 30 CEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000154098652 289134460 /nfs/dbraw/zinc/13/44/60/289134460.db2.gz WWDQAGKKPQRFJG-RISCZKNCSA-N 1 0 263.410 2.438 10 30 CEEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000389736215 321891862 /nfs/dbraw/zinc/89/18/62/321891862.db2.gz UZGQIBXBHWGECG-SCZZXKLOSA-N 1 0 284.285 2.382 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1cc(Cl)cn1C ZINC000261996286 329995692 /nfs/dbraw/zinc/99/56/92/329995692.db2.gz SMGPOXPNLYYQNM-GXFFZTMASA-N 1 0 282.819 2.484 10 30 CEEERO [NH2+]=C(NCc1cccc(-n2ccnc2)c1)NC1CCCC1 ZINC000262167365 330001254 /nfs/dbraw/zinc/00/12/54/330001254.db2.gz BXUPMCDTESTRBP-UHFFFAOYSA-N 1 0 283.379 2.219 10 30 CEEERO [NH2+]=C(NC[C@H]1CCC[C@@H](CO)C1)NC1CCCCCC1 ZINC000262254306 330002903 /nfs/dbraw/zinc/00/29/03/330002903.db2.gz DLEKTFVUJYCXQO-UONOGXRCSA-N 1 0 281.444 2.412 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCCC1 ZINC000262287100 330004261 /nfs/dbraw/zinc/00/42/61/330004261.db2.gz WWBYASAJJGBLAJ-GXFFZTMASA-N 1 0 279.334 2.492 10 30 CEEERO [NH2+]=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)N1CCSCC1 ZINC000262509217 330018740 /nfs/dbraw/zinc/01/87/40/330018740.db2.gz COQZNRPCNSNDLA-CABZTGNLSA-N 1 0 297.374 2.184 10 30 CEEERO [NH2+]=C(NCCc1cccs1)N[C@H]1COc2ccccc21 ZINC000262681372 330026695 /nfs/dbraw/zinc/02/66/95/330026695.db2.gz SUCBYZCQVUJMNT-ZDUSSCGKSA-N 1 0 287.388 2.329 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1NC(NCCc1ccco1)=[NH+]C1CC1 ZINC000262689226 330027403 /nfs/dbraw/zinc/02/74/03/330027403.db2.gz VVPDKPAEJRVZTL-WFASDCNBSA-N 1 0 286.379 2.212 10 30 CEEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)s1)NC1CCC1 ZINC000262821933 330034168 /nfs/dbraw/zinc/03/41/68/330034168.db2.gz YOWJXNJXUZXSMH-SECBINFHSA-N 1 0 287.816 2.152 10 30 CEEERO [NH2+]=C(NC[C@@H]1CC12CC2)N[C@@H]1CCOc2ccccc21 ZINC000263142001 330045571 /nfs/dbraw/zinc/04/55/71/330045571.db2.gz OIIFKQMLHSSQRO-WCQYABFASA-N 1 0 271.364 2.215 10 30 CEEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])N1CCSCC1 ZINC000263207780 330049242 /nfs/dbraw/zinc/04/92/42/330049242.db2.gz YNSHZKDCFTUHDV-YPMHNXCESA-N 1 0 255.431 2.175 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424066112 330219296 /nfs/dbraw/zinc/21/92/96/330219296.db2.gz NAFJCXVCEBKTOM-MXWKQRLJSA-N 1 0 291.317 2.245 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000251374729 334360541 /nfs/dbraw/zinc/36/05/41/334360541.db2.gz RQJVQGYXUGEAMS-OLZOCXBDSA-N 1 0 263.385 2.011 10 30 CEEERO C=CCSCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000194629893 336034714 /nfs/dbraw/zinc/03/47/14/336034714.db2.gz USFJIUPEXSXKFH-CYBMUJFWSA-N 1 0 287.473 2.181 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614947 519735586 /nfs/dbraw/zinc/73/55/86/519735586.db2.gz DMQYWLKQNAPMSZ-ARFHVFGLSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616426 520031993 /nfs/dbraw/zinc/03/19/93/520031993.db2.gz RKHMRZXMFOYYAC-GDBMZVCRSA-N 1 0 280.460 2.073 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616422 520102261 /nfs/dbraw/zinc/10/22/61/520102261.db2.gz RKHMRZXMFOYYAC-ZBFHGGJFSA-N 1 0 280.460 2.073 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616186 520102936 /nfs/dbraw/zinc/10/29/36/520102936.db2.gz MVWYKQZHHZGXIM-HOTGVXAUSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613199 520130860 /nfs/dbraw/zinc/13/08/60/520130860.db2.gz ARHCMDJGXNXRQV-GOEBONIOSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652799 520225572 /nfs/dbraw/zinc/22/55/72/520225572.db2.gz JJPOTLMXFKRTRY-CVEARBPZSA-N 1 0 280.460 2.074 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1CCC[C@H](C)C1 ZINC000087747695 518188218 /nfs/dbraw/zinc/18/82/18/518188218.db2.gz SXZIFDPWHLGYQS-ZDUSSCGKSA-N 1 0 270.376 2.177 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000050442488 519345579 /nfs/dbraw/zinc/34/55/79/519345579.db2.gz RDYSLKZHRSIRRV-GFCCVEGCSA-N 1 0 291.355 2.250 10 30 CEEERO CC(C)[NH2+]CCOc1nc2c(cc1C#N)CCCC2 ZINC000051871977 519721921 /nfs/dbraw/zinc/72/19/21/519721921.db2.gz VPMRGAMUHFMMDR-UHFFFAOYSA-N 1 0 259.353 2.209 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616447 519739172 /nfs/dbraw/zinc/73/91/72/519739172.db2.gz OXKHVWUEYBQLFK-HOCLYGCPSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652789 520100384 /nfs/dbraw/zinc/10/03/84/520100384.db2.gz VMJJNSJBPJYMDM-CVEARBPZSA-N 1 0 280.460 2.074 10 30 CEEERO CC1(C(=O)N(CCC#N)c2ccccc2)CC[NH2+]CC1 ZINC000062839684 520209893 /nfs/dbraw/zinc/20/98/93/520209893.db2.gz BDKARIMHQWPHEI-UHFFFAOYSA-N 1 0 271.364 2.323 10 30 CEEERO CCC[C@@]1(C(=O)N(C)Cc2ccc(C#N)cc2)CC[NH2+]C1 ZINC000062895210 520941538 /nfs/dbraw/zinc/94/15/38/520941538.db2.gz WZXJFMPIRQSKME-QGZVFWFLSA-N 1 0 285.391 2.296 10 30 CEEERO CCN(CC1CC1)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000069263404 520954242 /nfs/dbraw/zinc/95/42/42/520954242.db2.gz BXJOZQKSDSXRND-UHFFFAOYSA-N 1 0 274.339 2.008 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1ccc(OC)c(C#CC[NH3+])c1 ZINC000069461761 521296428 /nfs/dbraw/zinc/29/64/28/521296428.db2.gz ZMPJQBCGLJSJSQ-UHFFFAOYSA-N 1 0 288.391 2.266 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1ccccc1C#CC[NH3+] ZINC000069461756 521297825 /nfs/dbraw/zinc/29/78/25/521297825.db2.gz FRZZLOJHSIKPLY-UHFFFAOYSA-N 1 0 258.365 2.257 10 30 CEEERO CCC1(C(=O)Nc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000062847775 521671782 /nfs/dbraw/zinc/67/17/82/521671782.db2.gz VUCBKJCTCHOGIF-UHFFFAOYSA-N 1 0 257.337 2.277 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)[NH2+]C ZINC000061317218 521681675 /nfs/dbraw/zinc/68/16/75/521681675.db2.gz OGRCMTBFYWVGBF-UHFFFAOYSA-N 1 0 273.380 2.295 10 30 CEEERO COCCC[N@H+](CCOC)[C@@H](C)C[C@](C)(C#N)NC(C)C ZINC000068612905 523257817 /nfs/dbraw/zinc/25/78/17/523257817.db2.gz OKYGUHQLQKMQKE-JKSUJKDBSA-N 1 0 299.459 2.030 10 30 CEEERO C[C@@H]1CCC[C@H](C[NH3+])N1Cc1ccc(C#N)cc1F ZINC000070155230 524375613 /nfs/dbraw/zinc/37/56/13/524375613.db2.gz PMIBYGLVAQYMQN-BXUZGUMPSA-N 1 0 261.344 2.399 10 30 CEEERO C[C@]([NH3+])(C(=O)Nc1sccc1C#N)c1ccccc1 ZINC000052882717 525147749 /nfs/dbraw/zinc/14/77/49/525147749.db2.gz AVWLRKKWQFCVDQ-CQSZACIVSA-N 1 0 271.345 2.432 10 30 CEEERO C[C@@]1(C(=O)Nc2cc(Cl)ccc2C#N)CC[NH2+]C1 ZINC000062892081 525806633 /nfs/dbraw/zinc/80/66/33/525806633.db2.gz LDZBEEBTOROETG-CYBMUJFWSA-N 1 0 263.728 2.150 10 30 CEEERO N#CCOc1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050944628 526474692 /nfs/dbraw/zinc/47/46/92/526474692.db2.gz MJYKLDNPCNXQIV-ZDUSSCGKSA-N 1 0 287.363 2.450 10 30 CEEERO N#CCc1ccc(OCc2cc[nH+]c(NN)c2)cc1 ZINC000052728587 526485817 /nfs/dbraw/zinc/48/58/17/526485817.db2.gz PXJTUMFWUNRMTH-UHFFFAOYSA-N 1 0 254.293 2.012 10 30 CEEERO N#Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000068754877 526549982 /nfs/dbraw/zinc/54/99/82/526549982.db2.gz QAOPXNPXZVHANB-UHFFFAOYSA-N 1 0 268.276 2.151 10 30 CEEERO N#Cc1cc2c(nc1OC1CCC([NH3+])CC1)CCCC2 ZINC000055143351 526580030 /nfs/dbraw/zinc/58/00/30/526580030.db2.gz RYBBTZKIPLLBNV-UHFFFAOYSA-N 1 0 271.364 2.481 10 30 CEEERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404192860 526645162 /nfs/dbraw/zinc/64/51/62/526645162.db2.gz FKUIIJKHNZWNAO-ZDUSSCGKSA-N 1 0 250.317 2.194 10 30 CEEERO N#Cc1ccc(OCc2[nH+]c(NN)ccc2Cl)cc1 ZINC000061639866 526677393 /nfs/dbraw/zinc/67/73/93/526677393.db2.gz RXRMJUYRUSCEQL-UHFFFAOYSA-N 1 0 274.711 2.471 10 30 CEEERO N#Cc1cccc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000063189220 526697533 /nfs/dbraw/zinc/69/75/33/526697533.db2.gz NAEOZLKXOXURGI-CVEARBPZSA-N 1 0 283.375 2.305 10 30 CEEERO C[NH+]=C(NCCn1cc(C)cn1)NC1C[C@H](C)C[C@H](C)C1 ZINC000176037423 627312477 /nfs/dbraw/zinc/31/24/77/627312477.db2.gz NZLKGLBQWJMZMA-NNQSOWQGSA-N 1 0 291.443 2.181 10 30 CEEERO C#CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000185928950 642049995 /nfs/dbraw/zinc/04/99/95/642049995.db2.gz LXBRIPZCBYTGPD-CQSZACIVSA-N 1 0 264.413 2.273 10 30 CEEERO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2C#N)CCC[NH2+]C1 ZINC000129377709 651935450 /nfs/dbraw/zinc/93/54/50/651935450.db2.gz RIGVJBUKZYLYIV-CQSZACIVSA-N 1 0 274.324 2.268 10 30 CEEERO COc1cc(C#N)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000121438782 365568899 /nfs/dbraw/zinc/56/88/99/365568899.db2.gz RFCFBAZMIMPDFR-MRXNPFEDSA-N 1 0 285.391 2.237 10 30 CEEERO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1ccc(C)s1 ZINC000096230614 539297839 /nfs/dbraw/zinc/29/78/39/539297839.db2.gz QUEMWAISJFLTDZ-AWEZNQCLSA-N 1 0 281.421 2.279 10 30 CEEERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCO ZINC000005275384 343353983 /nfs/dbraw/zinc/35/39/83/343353983.db2.gz NFKLPTMMLYYXEQ-QLFBSQMISA-N 1 0 286.436 2.059 10 30 CEEERO C=CCCCN(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000152427141 344425821 /nfs/dbraw/zinc/42/58/21/344425821.db2.gz NKBIKHHRASHTEF-CYBMUJFWSA-N 1 0 253.390 2.078 10 30 CEEERO C[C@H]([NH3+])CNc1ccc(Br)cc1C#N ZINC000165303742 344474399 /nfs/dbraw/zinc/47/43/99/344474399.db2.gz UTGWWJCVEHXWGR-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO C[C@@H](C[NH3+])Nc1cc(Br)ccc1C#N ZINC000166071702 344475368 /nfs/dbraw/zinc/47/53/68/344475368.db2.gz GJLRTULZPQSHBJ-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO C#CC[C@@H]([NH3+])c1ccc(F)cc1I ZINC000236316099 344595284 /nfs/dbraw/zinc/59/52/84/344595284.db2.gz DFZMCKIDGFPWLU-SNVBAGLBSA-N 1 0 289.091 2.453 10 30 CEEERO CC[C@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@H]1[NH3+] ZINC000251937797 344637968 /nfs/dbraw/zinc/63/79/68/344637968.db2.gz ZXEJYONKJSYAAY-WCQYABFASA-N 1 0 281.363 2.065 10 30 CEEERO COc1ccc(C[NH2+]C[C@H]2CCc3nccn3C2)cc1C#N ZINC000328632641 344757131 /nfs/dbraw/zinc/75/71/31/344757131.db2.gz LLZXGSZASCJDAN-CQSZACIVSA-N 1 0 296.374 2.116 10 30 CEEERO C[N@H+](CC1CC1)C[C@@H]1CN(Cc2ccc(C#N)cc2)CCO1 ZINC000328645695 344758038 /nfs/dbraw/zinc/75/80/38/344758038.db2.gz SHYMMBDWEFHGKH-GOSISDBHSA-N 1 0 299.418 2.101 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000127327682 187297689 /nfs/dbraw/zinc/29/76/89/187297689.db2.gz CACPKASAESFFSO-KOLCDFICSA-N 1 0 294.196 2.494 10 30 CEEERO N#CCOc1cccc(NC(=O)CC2([NH3+])CCCC2)c1 ZINC000084167416 178812328 /nfs/dbraw/zinc/81/23/28/178812328.db2.gz HFNHCUBJQXFQLT-UHFFFAOYSA-N 1 0 273.336 2.189 10 30 CEEERO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccs1 ZINC000594426980 345626603 /nfs/dbraw/zinc/62/66/03/345626603.db2.gz UDZADFUZMBVFKW-WDEREUQCSA-N 1 0 265.382 2.337 10 30 CEEERO N#Cc1ncccc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594693845 345673332 /nfs/dbraw/zinc/67/33/32/345673332.db2.gz WKIBBAOSHBWUTN-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000058451854 362631009 /nfs/dbraw/zinc/63/10/09/362631009.db2.gz WYMMDMVDQOUXCG-AWEZNQCLSA-N 1 0 286.379 2.473 10 30 CEEERO C=C(CC)C[C@@H](C[C@@H]1CCS(=O)(=O)C1)[NH2+]CC ZINC000097284128 185579268 /nfs/dbraw/zinc/57/92/68/185579268.db2.gz QBFFAICOJMSKRT-STQMWFEESA-N 1 0 259.415 2.146 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085358871 179031170 /nfs/dbraw/zinc/03/11/70/179031170.db2.gz WMWOLQPJYHACIK-BXKDBHETSA-N 1 0 261.300 2.153 10 30 CEEERO N#CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085363069 179034841 /nfs/dbraw/zinc/03/48/41/179034841.db2.gz QEJLAFGJYJMYRY-KBPBESRZSA-N 1 0 257.337 2.209 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085364266 179035322 /nfs/dbraw/zinc/03/53/22/179035322.db2.gz RWMRBRUHXZOWLI-AAEUAGOBSA-N 1 0 275.327 2.462 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])ccc1F ZINC000085373909 179042666 /nfs/dbraw/zinc/04/26/66/179042666.db2.gz KGRLJPBRRYZBGK-DGCLKSJQSA-N 1 0 261.300 2.153 10 30 CEEERO C=CC[C@@H]1CC[N@@H+](Cc2ncccc2C(=O)OC)C1 ZINC000599528048 346532854 /nfs/dbraw/zinc/53/28/54/346532854.db2.gz ALAWNGPEDDDRGB-GFCCVEGCSA-N 1 0 260.337 2.266 10 30 CEEERO N#Cc1cc(Cl)ccc1NCC1([NH3+])CCOCC1 ZINC000600953363 346715694 /nfs/dbraw/zinc/71/56/94/346715694.db2.gz ZITDRKJFQORQJJ-UHFFFAOYSA-N 1 0 265.744 2.131 10 30 CEEERO C[C@@H]1[NH2+]CC[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000600957847 346717974 /nfs/dbraw/zinc/71/79/74/346717974.db2.gz VKENSODFDKYLTL-IONNQARKSA-N 1 0 270.258 2.134 10 30 CEEERO COC(OC)[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086038470 179221694 /nfs/dbraw/zinc/22/16/94/179221694.db2.gz ODFJUIBOIKSEKL-YGONEPDPSA-N 1 0 274.364 2.207 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1cc(Br)cs1 ZINC000086473568 179300530 /nfs/dbraw/zinc/30/05/30/179300530.db2.gz TVINHWQYWZRCIW-QMMMGPOBSA-N 1 0 286.198 2.368 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1ccc(Br)cc1 ZINC000086473658 179300718 /nfs/dbraw/zinc/30/07/18/179300718.db2.gz SFWQQFOPVYOOQS-NSHDSACASA-N 1 0 280.169 2.307 10 30 CEEERO N#Cc1ccc(NC(=O)CC2C[NH2+]C2)cc1C(F)(F)F ZINC000088191389 179561892 /nfs/dbraw/zinc/56/18/92/179561892.db2.gz SJDLXFPEZDIWSH-UHFFFAOYSA-N 1 0 283.253 2.125 10 30 CEEERO N#Cc1ccccc1[C@@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616692016 348562856 /nfs/dbraw/zinc/56/28/56/348562856.db2.gz ILMIRMFIHAESJR-INIZCTEOSA-N 1 0 278.359 2.490 10 30 CEEERO CC(C)C1([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000339518286 215224603 /nfs/dbraw/zinc/22/46/03/215224603.db2.gz ZTUADLULBPCHLX-UHFFFAOYSA-N 1 0 292.404 2.110 10 30 CEEERO CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C[NH3+] ZINC000089114638 179709533 /nfs/dbraw/zinc/70/95/33/179709533.db2.gz IYHUGBOUKRPVNV-LSDHHAIUSA-N 1 0 271.364 2.148 10 30 CEEERO CC[C@@H]([NH3+])CSCCC(=O)Nc1ccccc1C#N ZINC000090356695 179974827 /nfs/dbraw/zinc/97/48/27/179974827.db2.gz IUJRVKQLMMSTBR-GFCCVEGCSA-N 1 0 277.393 2.357 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091135246 180104298 /nfs/dbraw/zinc/10/42/98/180104298.db2.gz BAHWSKQTJOLRFI-LLVKDONJSA-N 1 0 293.367 2.039 10 30 CEEERO N#Cc1cc2ccccc2nc1OC1CC(C[NH3+])C1 ZINC000091450776 180159067 /nfs/dbraw/zinc/15/90/67/180159067.db2.gz QCLGHQIPSHMNKT-UHFFFAOYSA-N 1 0 253.305 2.223 10 30 CEEERO CCN(C(=O)c1ccncc1C#CC[NH3+])C1CCCCC1 ZINC000091460953 180161316 /nfs/dbraw/zinc/16/13/16/180161316.db2.gz NLBABHBSMKTZDL-UHFFFAOYSA-N 1 0 285.391 2.187 10 30 CEEERO CSC1(C#N)CCN(CCC[NH+]2CCCC2)CC1 ZINC000091470731 180165005 /nfs/dbraw/zinc/16/50/05/180165005.db2.gz MGKCLXMEVPCOMK-UHFFFAOYSA-N 1 0 267.442 2.193 10 30 CEEERO Cc1ncccc1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000091497945 180173000 /nfs/dbraw/zinc/17/30/00/180173000.db2.gz SPMCEZMDURCACM-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C#CCCO)s2)C1 ZINC000091392443 180145051 /nfs/dbraw/zinc/14/50/51/180145051.db2.gz OUSSICYWLUONPD-CQSZACIVSA-N 1 0 292.448 2.008 10 30 CEEERO C#CCC[C@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000091613199 180208334 /nfs/dbraw/zinc/20/83/34/180208334.db2.gz ACDAUYBCSAQPGD-HOTGVXAUSA-N 1 0 266.429 2.269 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091543523 180184967 /nfs/dbraw/zinc/18/49/67/180184967.db2.gz BADVUWOTQQGUAG-GZMMTYOYSA-N 1 0 263.728 2.278 10 30 CEEERO CCC[NH2+][C@@H](c1ccn(CC(=O)NCCC#N)c1)C(C)C ZINC000091828247 180264408 /nfs/dbraw/zinc/26/44/08/180264408.db2.gz BTQCOPYOHWHUTR-MRXNPFEDSA-N 1 0 290.411 2.215 10 30 CEEERO C[NH+]1CCC(O)([C@@]2(C#N)CCCc3ccccc32)CC1 ZINC000091878280 180278562 /nfs/dbraw/zinc/27/85/62/180278562.db2.gz RKJLYVLHIAWRDP-MRXNPFEDSA-N 1 0 270.376 2.241 10 30 CEEERO C=C(C)C[C@H]([NH2+]CC)[C@](C)(CC)N1CCOCC1 ZINC000092130171 180330146 /nfs/dbraw/zinc/33/01/46/180330146.db2.gz VGEVDOPAZLEKSU-GJZGRUSLSA-N 1 0 254.418 2.432 10 30 CEEERO C[C@@H]1C[NH+](Cc2ccc(F)c(C#CCO)c2)C[C@H]1C ZINC000092087039 180321534 /nfs/dbraw/zinc/32/15/34/180321534.db2.gz MQIJZKKCAXDFJZ-CHWSQXEVSA-N 1 0 261.340 2.257 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1Br ZINC000105856812 186079534 /nfs/dbraw/zinc/07/95/34/186079534.db2.gz XERVMZGQRBQCRP-JTQLQIEISA-N 1 0 297.196 2.402 10 30 CEEERO Cc1cc(NC(=O)c2cc(C#CC[NH3+])ccc2F)ccn1 ZINC000092365932 180369277 /nfs/dbraw/zinc/36/92/77/180369277.db2.gz DHYFSAJTPPPNOW-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(Cl)ccc1OCC ZINC000092474467 180393815 /nfs/dbraw/zinc/39/38/15/180393815.db2.gz VSXBJYXFFJYKTM-UHFFFAOYSA-N 1 0 268.744 2.453 10 30 CEEERO CCC[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110250489 186288581 /nfs/dbraw/zinc/28/85/81/186288581.db2.gz AVWLBEUNJQDURO-ZIAGYGMSSA-N 1 0 263.385 2.013 10 30 CEEERO N#CCc1nc2ccccc2n1[C@H](C[NH3+])C(F)(F)F ZINC000110951654 186336561 /nfs/dbraw/zinc/33/65/61/186336561.db2.gz LCUQBHGYUIZLHE-SNVBAGLBSA-N 1 0 268.242 2.164 10 30 CEEERO N#CCc1nc2ccccc2n1[C@@H](C[NH3+])c1cccnc1 ZINC000110951706 186336987 /nfs/dbraw/zinc/33/69/87/186336987.db2.gz PHPGXOSBJZRQBZ-HNNXBMFYSA-N 1 0 277.331 2.045 10 30 CEEERO CC[N@@H+]1CCN(CCOc2ccc(CC#N)cc2)C[C@@H]1C ZINC000110718505 186315991 /nfs/dbraw/zinc/31/59/91/186315991.db2.gz CQHUXYXEVSFYIG-HNNXBMFYSA-N 1 0 287.407 2.157 10 30 CEEERO CC[N@@H+]1CCN(CCC[C@@](C)(C#N)NC(C)C)C[C@@H]1C ZINC000110737074 186319217 /nfs/dbraw/zinc/31/92/17/186319217.db2.gz OSYVVRDHEFIUCO-HOTGVXAUSA-N 1 0 280.460 2.073 10 30 CEEERO [NH3+]CC#Cc1ccsc1CSc1ccncn1 ZINC000111114959 186353297 /nfs/dbraw/zinc/35/32/97/186353297.db2.gz CKSQCAMPNKIADL-UHFFFAOYSA-N 1 0 261.375 2.141 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2ccncn2)cc1 ZINC000111114980 186354083 /nfs/dbraw/zinc/35/40/83/186354083.db2.gz XFVDBUQFFOINQW-UHFFFAOYSA-N 1 0 255.346 2.079 10 30 CEEERO CC#CCC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000155507220 188211283 /nfs/dbraw/zinc/21/12/83/188211283.db2.gz MVRKOTFCHLRDCP-UHFFFAOYSA-N 1 0 288.439 2.169 10 30 CEEERO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000337316912 366142128 /nfs/dbraw/zinc/14/21/28/366142128.db2.gz YRWWNEIHBDFNGL-QXSJWSMHSA-N 1 0 275.396 2.445 10 30 CEEERO N#Cc1cc(F)ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131092319 283099642 /nfs/dbraw/zinc/09/96/42/283099642.db2.gz ATDFGWSZTXBZPJ-GDLCADMTSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C1)CCCC2 ZINC000261602332 283116871 /nfs/dbraw/zinc/11/68/71/283116871.db2.gz BZHBHHZTERKURN-NWANDNLSSA-N 1 0 282.391 2.006 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)CCC2 ZINC000131041924 283116888 /nfs/dbraw/zinc/11/68/88/283116888.db2.gz RNVVLWUQAXQXGF-CFVMTHIKSA-N 1 0 282.391 2.006 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261782586 283136808 /nfs/dbraw/zinc/13/68/08/283136808.db2.gz XCJXXULTODHMFK-DCAQKATOSA-N 1 0 296.296 2.146 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1F ZINC000404162550 283143290 /nfs/dbraw/zinc/14/32/90/283143290.db2.gz QUHUJZAZRAXGBV-KKUMJFAQSA-N 1 0 274.339 2.290 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000228721076 283191209 /nfs/dbraw/zinc/19/12/09/283191209.db2.gz XCQCCYIKWOQACW-YNEHKIRRSA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1nnc2ccccc2c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262343260 283258928 /nfs/dbraw/zinc/25/89/28/283258928.db2.gz UMSUKARDUOHWDL-FPMFFAJLSA-N 1 0 293.374 2.065 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)s1 ZINC000135693481 366468543 /nfs/dbraw/zinc/46/85/43/366468543.db2.gz ZSOCKRWHVLXMMP-ZWNOBZJWSA-N 1 0 250.367 2.260 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C#N)c1F ZINC000300239720 200887951 /nfs/dbraw/zinc/88/79/51/200887951.db2.gz DNPADSNCUDKDJS-WFASDCNBSA-N 1 0 273.355 2.366 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000083550761 363779939 /nfs/dbraw/zinc/77/99/39/363779939.db2.gz LJRVQSLCPMNNNN-XJKSGUPXSA-N 1 0 255.365 2.227 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC000116310521 365049821 /nfs/dbraw/zinc/04/98/21/365049821.db2.gz YDDORAGTMZGAJD-CYBMUJFWSA-N 1 0 284.338 2.420 10 30 CEEERO Cc1cc(C#N)cc(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000161784419 367111436 /nfs/dbraw/zinc/11/14/36/367111436.db2.gz RUIAAOFZJOOXCV-UHFFFAOYSA-N 1 0 270.380 2.230 10 30 CEEERO CC[NH+](CC)[C@@H](C)CNCc1ccc(OC)c(C#N)c1 ZINC000174259122 368003426 /nfs/dbraw/zinc/00/34/26/368003426.db2.gz XOTGZMFLOPCOSF-ZDUSSCGKSA-N 1 0 275.396 2.387 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246189233 370923865 /nfs/dbraw/zinc/92/38/65/370923865.db2.gz VZRKUHLUWJTDSJ-STQMWFEESA-N 1 0 270.442 2.237 10 30 CEEERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000246201257 370926596 /nfs/dbraw/zinc/92/65/96/370926596.db2.gz JBGCVUHOXPDCEO-CZUORRHYSA-N 1 0 257.381 2.377 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(F)cc1 ZINC000246106146 370909567 /nfs/dbraw/zinc/90/95/67/370909567.db2.gz MESPSCSPMJBGDY-PBHICJAKSA-N 1 0 272.367 2.346 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771747 368876218 /nfs/dbraw/zinc/87/62/18/368876218.db2.gz HKWJCBXDEDMOFP-DZKIICNBSA-N 1 0 262.397 2.191 10 30 CEEERO C#CCCCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246675979 370992624 /nfs/dbraw/zinc/99/26/24/370992624.db2.gz QRGUPFJCDJTUHV-CABCVRRESA-N 1 0 277.412 2.058 10 30 CEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)CC2 ZINC000192984519 369878805 /nfs/dbraw/zinc/87/88/05/369878805.db2.gz PDQKCYVBIDACIM-BFHYXJOUSA-N 1 0 287.411 2.388 10 30 CEEERO CCCCOC[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000193243967 369910221 /nfs/dbraw/zinc/91/02/21/369910221.db2.gz VPAIVNIJFONMSP-INIZCTEOSA-N 1 0 276.380 2.168 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000229255670 370422231 /nfs/dbraw/zinc/42/22/31/370422231.db2.gz HKDUQCGABYWWSU-UWVGGRQHSA-N 1 0 294.196 2.494 10 30 CEEERO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234013634 370527498 /nfs/dbraw/zinc/52/74/98/370527498.db2.gz QBPWITCBRNGTCN-JTQLQIEISA-N 1 0 277.328 2.004 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000247053459 371056623 /nfs/dbraw/zinc/05/66/23/371056623.db2.gz IJPOYWPZPGMLLN-CMPLNLGQSA-N 1 0 277.393 2.078 10 30 CEEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C#N)cc1Br ZINC000261532594 371639721 /nfs/dbraw/zinc/63/97/21/371639721.db2.gz JXCXFYILUYTHMA-HTQZYQBOSA-N 1 0 268.158 2.468 10 30 CEEERO N#Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382419336 375185178 /nfs/dbraw/zinc/18/51/78/375185178.db2.gz APCDYEDSMDCXNQ-MNOVXSKESA-N 1 0 260.297 2.148 10 30 CEEERO N#Cc1cccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382482401 375187658 /nfs/dbraw/zinc/18/76/58/375187658.db2.gz XMYRIDAMKRLTFE-MWLCHTKSSA-N 1 0 260.297 2.006 10 30 CEEERO CC[N@@H+]1CC[C@@H](Nc2nc(C)c(C#N)cc2Cl)C1 ZINC000389192052 375298849 /nfs/dbraw/zinc/29/88/49/375298849.db2.gz VOKVMFTVYVMDBA-LLVKDONJSA-N 1 0 264.760 2.421 10 30 CEEERO C[C@@H](CCC[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000311431904 376668283 /nfs/dbraw/zinc/66/82/83/376668283.db2.gz NAZSHPWKELDUFN-JTQLQIEISA-N 1 0 255.325 2.041 10 30 CEEERO CC[NH2+][C@@H](C)c1ccc(SCC(=O)NCC#N)cc1 ZINC000079580848 184594369 /nfs/dbraw/zinc/59/43/69/184594369.db2.gz MVZKGNYPFSXVOT-NSHDSACASA-N 1 0 277.393 2.089 10 30 CEEERO COCC[N@@H+]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000246359933 285051477 /nfs/dbraw/zinc/05/14/77/285051477.db2.gz KZKMOFUFYPZCNE-HUUCEWRRSA-N 1 0 287.407 2.272 10 30 CEEERO C[C@H]([NH3+])Cc1ccc(OCc2ccc(C#N)cc2)cn1 ZINC000094215566 184763541 /nfs/dbraw/zinc/76/35/41/184763541.db2.gz HWVDPXMRLIHWAS-LBPRGKRZSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@H](SCC[NH+](C)C)C(=O)Nc1ccc(C#N)cc1 ZINC000095020355 184917132 /nfs/dbraw/zinc/91/71/32/184917132.db2.gz KDIQEJCKLMHDQP-NSHDSACASA-N 1 0 277.393 2.180 10 30 CEEERO N#Cc1nc(N2CC[N@@H+]3CCCC[C@H]3C2)ccc1Cl ZINC000264836878 394642329 /nfs/dbraw/zinc/64/23/29/394642329.db2.gz IWUJODPPVYXADG-NSHDSACASA-N 1 0 276.771 2.281 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)nc(C)c1C#N ZINC000157378475 395034930 /nfs/dbraw/zinc/03/49/30/395034930.db2.gz AILIAFNNWXZFHA-CYBMUJFWSA-N 1 0 258.369 2.466 10 30 CEEERO CCO[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C12CCOCC2 ZINC000333733878 286383906 /nfs/dbraw/zinc/38/39/06/286383906.db2.gz UNAMVGRUEDWDMK-UONOGXRCSA-N 1 0 278.396 2.244 10 30 CEEERO N#Cc1c(Br)cccc1N1CC[C@H](C[NH3+])C1 ZINC000165075456 162340975 /nfs/dbraw/zinc/34/09/75/162340975.db2.gz DAFSKMMFSZDNGK-SECBINFHSA-N 1 0 280.169 2.106 10 30 CEEERO C[C@H](C[NH3+])Nc1ccc(Br)cc1C#N ZINC000165304375 162344057 /nfs/dbraw/zinc/34/40/57/162344057.db2.gz QIPIXHLMLOMTBU-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(C#N)cc1Br ZINC000261532597 162542086 /nfs/dbraw/zinc/54/20/86/162542086.db2.gz JXCXFYILUYTHMA-YUMQZZPRSA-N 1 0 268.158 2.468 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1C#N ZINC000174990351 165123455 /nfs/dbraw/zinc/12/34/55/165123455.db2.gz PRZHQEWWFNCXBF-QWHCGFSZSA-N 1 0 289.404 2.319 10 30 CEEERO CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO ZINC000033374174 171787558 /nfs/dbraw/zinc/78/75/58/171787558.db2.gz NFKLPTMMLYYXEQ-ZNMIVQPWSA-N 1 0 286.436 2.059 10 30 CEEERO C=CCOc1ccccc1C[NH2+][C@@H](C)C(=O)NCCC ZINC000034993251 171920700 /nfs/dbraw/zinc/92/07/00/171920700.db2.gz RDIFAOKFKBBNJC-ZDUSSCGKSA-N 1 0 276.380 2.256 10 30 CEEERO C#CCN1CCC([NH2+][C@@H](C)Cc2cccs2)CC1 ZINC000037291720 173096964 /nfs/dbraw/zinc/09/69/64/173096964.db2.gz QQGHCASLUBLMDS-ZDUSSCGKSA-N 1 0 262.422 2.366 10 30 CEEERO C[NH+](C)CCN[C@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000037940747 173880430 /nfs/dbraw/zinc/88/04/30/173880430.db2.gz OIYGJLLIDCIENN-GFCCVEGCSA-N 1 0 271.286 2.421 10 30 CEEERO Cc1cc(C)c(C#N)c(OCC[C@H]2CCC[N@H+]2C)n1 ZINC000040509249 174303515 /nfs/dbraw/zinc/30/35/15/174303515.db2.gz HPSKJYGSKQSRBM-CYBMUJFWSA-N 1 0 259.353 2.433 10 30 CEEERO N#Cc1ccc(NCC[NH+]2CCCCCC2)c(N)c1 ZINC000040767661 174398276 /nfs/dbraw/zinc/39/82/76/174398276.db2.gz RNHFMTJPQSGBQL-UHFFFAOYSA-N 1 0 258.369 2.428 10 30 CEEERO C=CCC1(NC(=O)[C@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000662889295 414789755 /nfs/dbraw/zinc/78/97/55/414789755.db2.gz VWCRQGFAEMETBK-STQMWFEESA-N 1 0 250.386 2.367 10 30 CEEERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(CC#N)CC#N ZINC000043051113 174959183 /nfs/dbraw/zinc/95/91/83/174959183.db2.gz VTMCVMLLHHYYES-MFKMUULPSA-N 1 0 262.744 2.077 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342566 175015860 /nfs/dbraw/zinc/01/58/60/175015860.db2.gz POLSVNUPCGKKIU-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(C#CC[NH3+])cs1 ZINC000043689015 175095313 /nfs/dbraw/zinc/09/53/13/175095313.db2.gz OUECPBZJTHMKIS-GXTWGEPZSA-N 1 0 278.421 2.058 10 30 CEEERO CCN[C@](C)(C#N)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045182593 175325349 /nfs/dbraw/zinc/32/53/49/175325349.db2.gz RTSYSQXAVXRXRC-ZFWWWQNUSA-N 1 0 267.417 2.015 10 30 CEEERO CN[C@@](C)(C#N)CCC[N@@H+]1CCc2ccccc2C1 ZINC000045307600 175355756 /nfs/dbraw/zinc/35/57/56/175355756.db2.gz UKPZYRSUFNVTAX-MRXNPFEDSA-N 1 0 257.381 2.327 10 30 CEEERO CCN[C@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1 ZINC000045311506 175356410 /nfs/dbraw/zinc/35/64/10/175356410.db2.gz CTBDKILOTJFMOT-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO Cc1cccc(CC(=O)Nc2ccc(C#CC[NH3+])cc2)c1 ZINC000052137077 175533086 /nfs/dbraw/zinc/53/30/86/175533086.db2.gz BOAZNAIXILRUHY-UHFFFAOYSA-N 1 0 278.355 2.486 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576225 175991757 /nfs/dbraw/zinc/99/17/57/175991757.db2.gz SXLGUGLCOUELNP-CABCVRRESA-N 1 0 271.364 2.034 10 30 CEEERO Cc1ccc(C#N)cc1N1CCC[C@@H]([NH2+]C(C)C)C1=O ZINC000071042251 176028735 /nfs/dbraw/zinc/02/87/35/176028735.db2.gz WHAALCZKPKIQMR-CQSZACIVSA-N 1 0 271.364 2.360 10 30 CEEERO C[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000071210975 176083391 /nfs/dbraw/zinc/08/33/91/176083391.db2.gz ZTAZOYZCXFGUEP-IAQYHMDHSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1/C(N)=N/O ZINC000071266893 176100494 /nfs/dbraw/zinc/10/04/94/176100494.db2.gz KDWNIVVIGVVIKC-GFCCVEGCSA-N 1 0 265.332 2.295 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)Nc2ccccc2)s1 ZINC000071323039 176123223 /nfs/dbraw/zinc/12/32/23/176123223.db2.gz VWZITXMOUDDKBI-UHFFFAOYSA-N 1 0 285.372 2.380 10 30 CEEERO CCCN(c1nc2c(cc1C#N)CCCC2)[C@H]1CC[NH2+]C1 ZINC000071332462 176125729 /nfs/dbraw/zinc/12/57/29/176125729.db2.gz HRWLNGQXJFIZAL-HNNXBMFYSA-N 1 0 284.407 2.410 10 30 CEEERO C[N@H+](CCNC(=O)[C@@H](C#N)c1ccccc1)C1CCCC1 ZINC000071379133 176143693 /nfs/dbraw/zinc/14/36/93/176143693.db2.gz ZUHOFHYGSVMJRN-INIZCTEOSA-N 1 0 285.391 2.284 10 30 CEEERO N#Cc1cc2ccccc2nc1OC[C@@H]1CC[NH2+]C1 ZINC000071386349 176147958 /nfs/dbraw/zinc/14/79/58/176147958.db2.gz YTABFVZADLRZRQ-LLVKDONJSA-N 1 0 253.305 2.095 10 30 CEEERO N#CCCN(CCC#N)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400833 176153282 /nfs/dbraw/zinc/15/32/82/176153282.db2.gz RKLXINVGZQFBGF-OAHLLOKOSA-N 1 0 284.363 2.123 10 30 CEEERO COC[C@@H]1CC[N@H+](CCOc2ccc(CC#N)cc2)C1 ZINC000077897261 177307762 /nfs/dbraw/zinc/30/77/62/177307762.db2.gz GGEAKYBSTUIUCF-OAHLLOKOSA-N 1 0 274.364 2.100 10 30 CEEERO Cc1nn(Cc2cc(C#CC[NH3+])cs2)cc1Cl ZINC000080014168 177595257 /nfs/dbraw/zinc/59/52/57/177595257.db2.gz WNQFSQCFHIPJCJ-UHFFFAOYSA-N 1 0 265.769 2.265 10 30 CEEERO CCc1nn(C)cc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330221385 228071285 /nfs/dbraw/zinc/07/12/85/228071285.db2.gz LPPJYXPSQBJYSP-CQSZACIVSA-N 1 0 276.384 2.066 10 30 CEEERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000126662589 260783543 /nfs/dbraw/zinc/78/35/43/260783543.db2.gz CQDMFKXLMWZDAB-HNNXBMFYSA-N 1 0 298.390 2.302 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1F ZINC000399006256 268248505 /nfs/dbraw/zinc/24/85/05/268248505.db2.gz OUVXJJRYVUXOEN-QEJZJMRPSA-N 1 0 274.339 2.290 10 30 CEEERO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398976083 270365047 /nfs/dbraw/zinc/36/50/47/270365047.db2.gz CJUYWBGFXQJDDV-DUVNUKRYSA-N 1 0 274.339 2.290 10 30 CEEERO C[NH2+][C@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068770973 273974340 /nfs/dbraw/zinc/97/43/40/273974340.db2.gz KLMWCFVOCQEATI-ZDUSSCGKSA-N 1 0 266.348 2.295 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000132447196 274241016 /nfs/dbraw/zinc/24/10/16/274241016.db2.gz SZFOXTVPAZMSCV-NEPJUHHUSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(C#N)cn1 ZINC000083704199 274372993 /nfs/dbraw/zinc/37/29/93/274372993.db2.gz YYLDDEPZVJGRAO-TZMCWYRMSA-N 1 0 256.353 2.016 10 30 CEEERO CC1(C)CN(c2cc(C#N)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261706076 275850155 /nfs/dbraw/zinc/85/01/55/275850155.db2.gz IZOFSHXGEGRGFU-ZDUSSCGKSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246806801 278306093 /nfs/dbraw/zinc/30/60/93/278306093.db2.gz BNNFUUBFZGJQPP-RHSMWYFYSA-N 1 0 285.391 2.026 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000132430225 278314504 /nfs/dbraw/zinc/31/45/04/278314504.db2.gz SXPTYBHWNNWUNH-DGCLKSJQSA-N 1 0 270.380 2.006 10 30 CEEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH3+] ZINC000261565948 278801613 /nfs/dbraw/zinc/80/16/13/278801613.db2.gz GGDQINZRJXHPIU-PRHODGIISA-N 1 0 269.270 2.360 10 30 CEEERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@@H]1[NH3+] ZINC000094342480 278810374 /nfs/dbraw/zinc/81/03/74/278810374.db2.gz QKSPHMHDMYMPEY-SCZZXKLOSA-N 1 0 284.285 2.146 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(C#N)cs1 ZINC000084181437 279131956 /nfs/dbraw/zinc/13/19/56/279131956.db2.gz RQGLQURIVTYGRC-GFCCVEGCSA-N 1 0 279.409 2.326 10 30 CEEERO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(C#N)c(C)n1 ZINC000301757455 280560045 /nfs/dbraw/zinc/56/00/45/280560045.db2.gz FAOASBNYXLLYRL-UHFFFAOYSA-N 1 0 293.374 2.292 10 30 CEEERO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246376775 290220021 /nfs/dbraw/zinc/22/00/21/290220021.db2.gz MRIGKEFDWDITDG-CJNGLKHVSA-N 1 0 255.365 2.399 10 30 CEEERO Cc1nc(N[C@@H](C)C[C@@H](C)[NH3+])c(Cl)cc1C#N ZINC000320777600 297497899 /nfs/dbraw/zinc/49/78/99/297497899.db2.gz ZHCBXQBQVQOYRP-SFYZADRCSA-N 1 0 252.749 2.453 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382455204 321840141 /nfs/dbraw/zinc/84/01/41/321840141.db2.gz IRBFTJBILXJQSJ-MWLCHTKSSA-N 1 0 260.297 2.006 10 30 CEEERO C=CCOCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000339154748 327008383 /nfs/dbraw/zinc/00/83/83/327008383.db2.gz LTOVRVOPMZWATE-ZNMIVQPWSA-N 1 0 253.386 2.205 10 30 CEEERO COC[C@@H](C)NC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261977665 329993397 /nfs/dbraw/zinc/99/33/97/329993397.db2.gz GSDHAKDVNNZTJY-ZCFIWIBFSA-N 1 0 296.223 2.494 10 30 CEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N(C)Cc1cccn1C ZINC000261992383 329995106 /nfs/dbraw/zinc/99/51/06/329995106.db2.gz RQKKEPVHVKOJTG-CYBMUJFWSA-N 1 0 262.401 2.221 10 30 CEEERO C[NH+]=C(NC1CC1)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262216840 330001828 /nfs/dbraw/zinc/00/18/28/330001828.db2.gz JSMCFVSMAKDLDY-JOYOIKCWSA-N 1 0 265.307 2.148 10 30 CEEERO CC(C)c1nnc(CNC(=[NH2+])NC2CCCCC2)s1 ZINC000262371957 330011361 /nfs/dbraw/zinc/01/13/61/330011361.db2.gz ITIFNVWUTPSAOS-UHFFFAOYSA-N 1 0 281.429 2.399 10 30 CEEERO C#CCNC(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)=[NH+]C ZINC000262379437 330011812 /nfs/dbraw/zinc/01/18/12/330011812.db2.gz KEEVVNHJFZODDI-JOYOIKCWSA-N 1 0 279.746 2.133 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262394098 330012355 /nfs/dbraw/zinc/01/23/55/330012355.db2.gz MRWHUCULFDTNBI-BRXULGCHSA-N 1 0 292.427 2.047 10 30 CEEERO COc1ccc(NC(=[NH2+])NCC2(C(F)F)CC2)cc1 ZINC000262475569 330016169 /nfs/dbraw/zinc/01/61/69/330016169.db2.gz PYDMHAAWZGDPEV-UHFFFAOYSA-N 1 0 269.295 2.467 10 30 CEEERO CN1CC[NH+]=C1N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262478478 330016312 /nfs/dbraw/zinc/01/63/12/330016312.db2.gz COJZMOPMLORISX-KWQFWETISA-N 1 0 267.735 2.226 10 30 CEEERO C[C@H]1CCCN(C(=[NH2+])N[C@@H]2COc3ccccc32)C1 ZINC000262621287 330023128 /nfs/dbraw/zinc/02/31/28/330023128.db2.gz CSYNOTMOJPAZQM-WCQYABFASA-N 1 0 259.353 2.167 10 30 CEEERO C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[C@H]2C(F)(F)F)N1 ZINC000262672180 330025906 /nfs/dbraw/zinc/02/59/06/330025906.db2.gz ROGAAGURBOAIFP-OPRDCNLKSA-N 1 0 263.307 2.292 10 30 CEEERO C=C(Br)CNC(NCC1CCC1)=[NH+]CC ZINC000262720708 330028496 /nfs/dbraw/zinc/02/84/96/330028496.db2.gz PREYENCQXASCIF-UHFFFAOYSA-N 1 0 274.206 2.250 10 30 CEEERO CCc1nc(CNC(N[C@@H]2CCC[C@@H]2C#N)=[NH+]C)cs1 ZINC000262768726 330030306 /nfs/dbraw/zinc/03/03/06/330030306.db2.gz GZSPSKTVTJNFOW-ZYHUDNBSSA-N 1 0 291.424 2.063 10 30 CEEERO COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2CC23CC3)c1 ZINC000263048325 330040654 /nfs/dbraw/zinc/04/06/54/330040654.db2.gz DFKPZWVNGFGLIV-SNVBAGLBSA-N 1 0 275.352 2.231 10 30 CEEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(F)c(F)c1 ZINC000424068338 330219599 /nfs/dbraw/zinc/21/95/99/330219599.db2.gz ROEXSTPLMQHUDU-NOZJJQNGSA-N 1 0 281.306 2.163 10 30 CEEERO CCC1CCC(NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424107948 330234879 /nfs/dbraw/zinc/23/48/79/330234879.db2.gz ZNLPEAITWVHEFT-BPCQOVAHSA-N 1 0 251.374 2.093 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000044387053 330327972 /nfs/dbraw/zinc/32/79/72/330327972.db2.gz WWHJAAJYALYLNR-CYBMUJFWSA-N 1 0 263.385 2.061 10 30 CEEERO C=CCCCCC[N@H+]1CCN(C[C@H](C)O)[C@H](C)C1 ZINC000248823165 334318540 /nfs/dbraw/zinc/31/85/40/334318540.db2.gz YTLOMTLZOSAOMW-CABCVRRESA-N 1 0 254.418 2.120 10 30 CEEERO C=C[C@@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000135094516 334115311 /nfs/dbraw/zinc/11/53/11/334115311.db2.gz HVMGPMIRLBJGGR-YOEHRIQHSA-N 1 0 296.455 2.140 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611600 520102580 /nfs/dbraw/zinc/10/25/80/520102580.db2.gz SJCKKHHDGYCSKR-HOCLYGCPSA-N 1 0 280.460 2.073 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1cc(Cl)ccc1C#N ZINC000061300740 521940975 /nfs/dbraw/zinc/94/09/75/521940975.db2.gz MGQPEGHYNZXPDK-UHFFFAOYSA-N 1 0 251.717 2.148 10 30 CEEERO CC(C)CN(CCC#N)C(=O)CCC1CC[NH2+]CC1 ZINC000050947646 519714803 /nfs/dbraw/zinc/71/48/03/519714803.db2.gz IHOSPDHQLXPKOR-UHFFFAOYSA-N 1 0 265.401 2.164 10 30 CEEERO CC(C)[NH2+]CCOc1cc(C#N)c2ccccc2n1 ZINC000068771684 519721857 /nfs/dbraw/zinc/72/18/57/519721857.db2.gz GQRXIVAWUTXDLF-UHFFFAOYSA-N 1 0 255.321 2.483 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068615993 519735792 /nfs/dbraw/zinc/73/57/92/519735792.db2.gz MCQOULXDQVYZBS-YESZJQIVSA-N 1 0 292.471 2.215 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1c(C#N)nnc2ccccc21 ZINC000156806693 519817793 /nfs/dbraw/zinc/81/77/93/519817793.db2.gz KZEYWVSNUBMSFI-CYBMUJFWSA-N 1 0 283.379 2.311 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615899 520101665 /nfs/dbraw/zinc/10/16/65/520101665.db2.gz LYRXMJWXGBHXTJ-ULQDDVLXSA-N 1 0 294.487 2.463 10 30 CEEERO CC[NH2+][C@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000061270613 520168737 /nfs/dbraw/zinc/16/87/37/520168737.db2.gz WYYCMQXVANDEDE-VXGBXAGGSA-N 1 0 259.353 2.124 10 30 CEEERO CCOC1CC[NH+]([C@@H](C)C[C@](C)(C#N)NC2CC2)CC1 ZINC000068612023 521657126 /nfs/dbraw/zinc/65/71/26/521657126.db2.gz WOOQYCVZCIEFAN-XJKSGUPXSA-N 1 0 279.428 2.300 10 30 CEEERO C[NH2+]Cc1ccc(O[C@@H](C)C#N)c(Br)c1 ZINC000062700746 522124511 /nfs/dbraw/zinc/12/45/11/522124511.db2.gz WIXUMUFZEYCEKG-QMMMGPOBSA-N 1 0 269.142 2.459 10 30 CEEERO CC[C@@H](C)[N@H+](CCOC)CC[C@@H](C#N)NC(C)C ZINC000062437409 522093224 /nfs/dbraw/zinc/09/32/24/522093224.db2.gz CVOYQVZWFYIBGN-KGLIPLIRSA-N 1 0 255.406 2.014 10 30 CEEERO CC[C@H]([NH3+])Cc1nccn1Cc1ccc(C#N)cc1F ZINC000062803023 522338008 /nfs/dbraw/zinc/33/80/08/522338008.db2.gz IRGITRHJTYCOBJ-ZDUSSCGKSA-N 1 0 272.327 2.222 10 30 CEEERO CC[C@@H]([NH3+])Cc1nccn1Cc1cccc(C#N)c1 ZINC000062803104 522645935 /nfs/dbraw/zinc/64/59/35/522645935.db2.gz OXJZTXHFCZHQAT-CQSZACIVSA-N 1 0 254.337 2.083 10 30 CEEERO CC[C@@H]([NH3+])Cc1nccn1Cc1ccc(C#N)cc1 ZINC000062803062 522646181 /nfs/dbraw/zinc/64/61/81/522646181.db2.gz HPEWMYJWCNJGKK-CQSZACIVSA-N 1 0 254.337 2.083 10 30 CEEERO CC[C@H]1CCC[C@@H](NC(=O)c2ccc(C#CC[NH3+])cn2)C1 ZINC000068594055 523119404 /nfs/dbraw/zinc/11/94/04/523119404.db2.gz ZTBBYTCGQXCFHH-DZGCQCFKSA-N 1 0 285.391 2.090 10 30 CEEERO COCC[N@H+](C)CCNc1cc(C#N)c2ccccc2n1 ZINC000068770523 523613226 /nfs/dbraw/zinc/61/32/26/523613226.db2.gz GGLKBBQMZCPYCY-UHFFFAOYSA-N 1 0 284.363 2.097 10 30 CEEERO COCC[NH2+]Cc1cc(OC)ccc1OCCCC#N ZINC000062727735 523949998 /nfs/dbraw/zinc/94/99/98/523949998.db2.gz TWBNEKHTWFFHEC-UHFFFAOYSA-N 1 0 278.352 2.114 10 30 CEEERO COCC[NH2+]Cc1ccc(O[C@H](C)C#N)c(Cl)c1 ZINC000062730585 523953114 /nfs/dbraw/zinc/95/31/14/523953114.db2.gz SPARSXIOWFSDDZ-SNVBAGLBSA-N 1 0 268.744 2.367 10 30 CEEERO COc1ccc(CC[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000068751355 523976090 /nfs/dbraw/zinc/97/60/90/523976090.db2.gz ZGSIRFATHOXIIA-UHFFFAOYSA-N 1 0 267.332 2.294 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070253565 525794782 /nfs/dbraw/zinc/79/47/82/525794782.db2.gz HBSOHEIGAUWXSV-LBPRGKRZSA-N 1 0 287.338 2.334 10 30 CEEERO Cc1cc(C#N)cc(NCCC[NH2+]Cc2cccnc2)n1 ZINC000161735309 526186013 /nfs/dbraw/zinc/18/60/13/526186013.db2.gz QJMINRUCVYHIGR-UHFFFAOYSA-N 1 0 281.363 2.249 10 30 CEEERO Cc1nn(Cc2cc(C#N)ccc2F)c(C)c1C[C@@H](C)[NH3+] ZINC000062803239 526286790 /nfs/dbraw/zinc/28/67/90/526286790.db2.gz XHWAWDIWOZELSV-SNVBAGLBSA-N 1 0 286.354 2.449 10 30 CEEERO N#C[C@H]1CCCCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000054825989 526512230 /nfs/dbraw/zinc/51/22/30/526512230.db2.gz MTSQVFBSLWKMKY-FKZOYECMSA-N 1 0 263.385 2.093 10 30 CEEERO N#Cc1cc(N[C@@H]2CCC[C@@H]2[NH3+])nc2ccccc12 ZINC000068771092 526574083 /nfs/dbraw/zinc/57/40/83/526574083.db2.gz OHKPJMJXOJYAPD-GXTWGEPZSA-N 1 0 252.321 2.398 10 30 CEEERO C=CCCC[N@@H+](C)CC1(O)CCC(C(=O)OCC)CC1 ZINC000190902488 527193090 /nfs/dbraw/zinc/19/30/90/527193090.db2.gz RQWAZJNHLLNUGF-UHFFFAOYSA-N 1 0 283.412 2.369 10 30 CEEERO CC[NH2+][C@H](C)c1ccccc1N1CCO[C@H](C#N)C1 ZINC000093932666 535515729 /nfs/dbraw/zinc/51/57/29/535515729.db2.gz ZZNDVUKGQBNNKI-CHWSQXEVSA-N 1 0 259.353 2.086 10 30 CEEERO CC[C@@H]1CN(c2nc(Cl)c(C#N)s2)CC[C@H]1[NH3+] ZINC000300124217 624726277 /nfs/dbraw/zinc/72/62/77/624726277.db2.gz GVDDXOKAOOBGLO-HTQZYQBOSA-N 1 0 270.789 2.232 10 30 CEEERO Cc1cc(C#N)cc(NCc2ccc(CC[NH3+])cc2)n1 ZINC000161727841 624936475 /nfs/dbraw/zinc/93/64/75/624936475.db2.gz CAFMREPSUPUHOG-UHFFFAOYSA-N 1 0 266.348 2.375 10 30 CEEERO C[C@@H]([NH3+])CN(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000310965154 627333294 /nfs/dbraw/zinc/33/32/94/627333294.db2.gz BDOALNPVOJHHBB-MRVPVSSYSA-N 1 0 257.259 2.360 10 30 CEEERO N#CCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309707909 627786579 /nfs/dbraw/zinc/78/65/79/627786579.db2.gz INQYKXUCUQURRF-IXDOHACOSA-N 1 0 269.392 2.400 10 30 CEEERO CCCCCCCS(=O)(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000195129219 628526866 /nfs/dbraw/zinc/52/68/66/628526866.db2.gz DJVOXSMUCRKVER-CQSZACIVSA-N 1 0 290.473 2.361 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592205 632208414 /nfs/dbraw/zinc/20/84/14/632208414.db2.gz CTCIOLJDKXSCAH-CYBMUJFWSA-N 1 0 274.324 2.045 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000229596910 639709597 /nfs/dbraw/zinc/70/95/97/639709597.db2.gz YIDDUWHARITOPE-SKDRFNHKSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1ccc(-c2nc(C[C@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084623 639823992 /nfs/dbraw/zinc/82/39/92/639823992.db2.gz AAZDFDROEHDDOM-GFCCVEGCSA-N 1 0 268.320 2.150 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CCC[C@@H](C[NH3+])C1 ZINC000071386056 641754662 /nfs/dbraw/zinc/75/46/62/641754662.db2.gz CYUHPLNVFQYLKB-LBPRGKRZSA-N 1 0 266.348 2.282 10 30 CEEERO C[NH2+]CCC1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000126637225 650826514 /nfs/dbraw/zinc/82/65/14/650826514.db2.gz KWGIWZPDDWIIAP-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000135302318 652964611 /nfs/dbraw/zinc/96/46/11/652964611.db2.gz IZLOWAPZIZFRQM-NWDGAFQWSA-N 1 0 267.373 2.183 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1cccc(C)c1)C(C)C ZINC000036098755 361828215 /nfs/dbraw/zinc/82/82/15/361828215.db2.gz ZTJCNTWGFGLJKV-QGZVFWFLSA-N 1 0 275.392 2.216 10 30 CEEERO N#Cc1cccc(NC2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC000125820850 187201318 /nfs/dbraw/zinc/20/13/18/187201318.db2.gz HFUQQLAELCSSHN-UHFFFAOYSA-N 1 0 260.297 2.148 10 30 CEEERO NC(=[NH2+])Nc1ccc(Br)cc1Br ZINC000052091925 343556066 /nfs/dbraw/zinc/55/60/66/343556066.db2.gz ZOQKCWFOJJSPAD-UHFFFAOYSA-N 1 0 292.962 2.117 10 30 CEEERO N#CC1(CN2CCN(Cc3ccccc3)CC2)CCC1 ZINC000145846411 344409684 /nfs/dbraw/zinc/40/96/84/344409684.db2.gz LRMZZLAGSMQSHI-UHFFFAOYSA-N 1 0 269.392 2.498 10 30 CEEERO CCO[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H]1C[NH3+] ZINC000405613920 344885088 /nfs/dbraw/zinc/88/50/88/344885088.db2.gz SYRXDVGJXNSARL-BXUZGUMPSA-N 1 0 279.771 2.012 10 30 CEEERO C[C@H](c1ccccc1)[C@@H]([NH3+])CC(=O)N1CCC[C@H]1C#N ZINC000584629464 344969240 /nfs/dbraw/zinc/96/92/40/344969240.db2.gz TXWNWQCDGRBOSR-SNPRPXQTSA-N 1 0 271.364 2.022 10 30 CEEERO N#Cc1cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000594693390 345672860 /nfs/dbraw/zinc/67/28/60/345672860.db2.gz NPHQNPWSAWQGQT-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO C[C@H](CC[NH3+])Nc1cccc(Br)c1C#N ZINC000308956867 201857863 /nfs/dbraw/zinc/85/78/63/201857863.db2.gz ZOXGMXXVCKNYJU-MRVPVSSYSA-N 1 0 268.158 2.470 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000085361267 179033219 /nfs/dbraw/zinc/03/32/19/179033219.db2.gz REJRLPBHSPPOFT-CMPLNLGQSA-N 1 0 263.728 2.278 10 30 CEEERO N#CCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085362980 179034627 /nfs/dbraw/zinc/03/46/27/179034627.db2.gz FRZWXFQJOIPULC-KBPBESRZSA-N 1 0 273.336 2.045 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366629 179037053 /nfs/dbraw/zinc/03/70/53/179037053.db2.gz VZFDYYMQRAAYTL-HOTGVXAUSA-N 1 0 288.391 2.337 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000600950618 346715023 /nfs/dbraw/zinc/71/50/23/346715023.db2.gz ALYFTEMQDIOAFI-NWDGAFQWSA-N 1 0 260.297 2.019 10 30 CEEERO Cc1nc(N[C@H]2CC[C@H](C)[NH2+]C2)c(Cl)cc1C#N ZINC000600955870 346716654 /nfs/dbraw/zinc/71/66/54/346716654.db2.gz SVKHNIVBIPTAJU-KWQFWETISA-N 1 0 264.760 2.468 10 30 CEEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(F)cc1C#N)C2 ZINC000600955980 346716832 /nfs/dbraw/zinc/71/68/32/346716832.db2.gz LQQWXPVWPBCFHV-GASCZTMLSA-N 1 0 259.328 2.133 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H]1C[NH3+] ZINC000600960822 346719335 /nfs/dbraw/zinc/71/93/35/346719335.db2.gz DOIKHCZEJXDJOW-WCQYABFASA-N 1 0 266.348 2.137 10 30 CEEERO C[N@@H+]1CCC[C@@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000085920141 179199621 /nfs/dbraw/zinc/19/96/21/179199621.db2.gz GFPBHYDAMCEYAL-LLVKDONJSA-N 1 0 267.336 2.008 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2cccc(C#CC[NH3+])c2)[C@@H]1C ZINC000086081144 179227617 /nfs/dbraw/zinc/22/76/17/179227617.db2.gz YZQRJEVCKNSPLN-XJKCOSOUSA-N 1 0 270.376 2.161 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1cccc(Br)c1 ZINC000086473561 179300459 /nfs/dbraw/zinc/30/04/59/179300459.db2.gz OQFWIROXRLIJAT-NSHDSACASA-N 1 0 280.169 2.307 10 30 CEEERO CCC(CC)(CC)NC(=O)c1ccc(C#CC[NH3+])cn1 ZINC000086647802 179316763 /nfs/dbraw/zinc/31/67/63/179316763.db2.gz GXBQLHVLAOERBO-UHFFFAOYSA-N 1 0 273.380 2.090 10 30 CEEERO N#Cc1cccc([C@@H]2c3ccccc3CC[N@H+]2CCO)c1 ZINC000616678127 348558256 /nfs/dbraw/zinc/55/82/56/348558256.db2.gz CRDJWQLVHQDDTM-GOSISDBHSA-N 1 0 278.355 2.498 10 30 CEEERO C[NH2+]CCCc1nnc(-c2cccc(C#N)c2)s1 ZINC000088811816 179676120 /nfs/dbraw/zinc/67/61/20/179676120.db2.gz LIASSKYCVNBSLN-UHFFFAOYSA-N 1 0 258.350 2.229 10 30 CEEERO C=C(C)C[N@H+](CC)C[C@H](O)COCc1ccccc1 ZINC000068045789 362934404 /nfs/dbraw/zinc/93/44/04/362934404.db2.gz FMRJWQXIROCKAS-INIZCTEOSA-N 1 0 263.381 2.462 10 30 CEEERO CCc1cc(COc2ccc(F)cc2C#CC[NH3+])n(C)n1 ZINC000089201836 179752906 /nfs/dbraw/zinc/75/29/06/179752906.db2.gz HIZOVASDLKFXQA-UHFFFAOYSA-N 1 0 287.338 2.011 10 30 CEEERO N#Cc1cc(COC[C@@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000089535249 179812347 /nfs/dbraw/zinc/81/23/47/179812347.db2.gz XFNGHONQHYSACS-KGLIPLIRSA-N 1 0 259.353 2.235 10 30 CEEERO COc1ccc(COC[C@@H]2CCC[C@@H]2C[NH3+])cc1C#N ZINC000089537254 179813001 /nfs/dbraw/zinc/81/30/01/179813001.db2.gz ZXYKQZUEGCMZEX-KGLIPLIRSA-N 1 0 274.364 2.458 10 30 CEEERO CN1CC[NH+](CCc2cc3cc(C#N)ccc3o2)CC1 ZINC000090567634 180006259 /nfs/dbraw/zinc/00/62/59/180006259.db2.gz GEETYPDUNTWBKS-UHFFFAOYSA-N 1 0 269.348 2.094 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)c1csc(CC[NH3+])n1 ZINC000090953592 180073761 /nfs/dbraw/zinc/07/37/61/180073761.db2.gz PVLRHGAXNAMSHN-UHFFFAOYSA-N 1 0 286.360 2.077 10 30 CEEERO C[C@H]([NH3+])Cc1ccn(Cc2ccc(C#N)cc2F)c1 ZINC000091005867 180084672 /nfs/dbraw/zinc/08/46/72/180084672.db2.gz JPSDTUSNFVQGER-NSHDSACASA-N 1 0 257.312 2.437 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091429458 180153070 /nfs/dbraw/zinc/15/30/70/180153070.db2.gz AOQVWDJECDGORE-JKSUJKDBSA-N 1 0 280.460 2.073 10 30 CEEERO C=C(C)COCC[NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091397689 180147184 /nfs/dbraw/zinc/14/71/84/180147184.db2.gz MTXWVLKGNGRWDO-LLVKDONJSA-N 1 0 275.352 2.100 10 30 CEEERO C=CCCC[C@@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091567051 180194779 /nfs/dbraw/zinc/19/47/79/180194779.db2.gz XRCFDZUQTUARQO-CQSZACIVSA-N 1 0 254.418 2.432 10 30 CEEERO C=C(CC)C[C@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642808 180214255 /nfs/dbraw/zinc/21/42/55/180214255.db2.gz DGRZIBDDYPHJMU-AWEZNQCLSA-N 1 0 253.386 2.349 10 30 CEEERO CCN(C(=O)c1cccc(C#N)c1)C1CCC([NH3+])CC1 ZINC000091850289 180272485 /nfs/dbraw/zinc/27/24/85/180272485.db2.gz LGRJSWVFEJWWCB-UHFFFAOYSA-N 1 0 271.364 2.290 10 30 CEEERO CC1CCN(C(=O)Nc2cccc(C#CC[NH3+])c2)CC1 ZINC000091992425 180300401 /nfs/dbraw/zinc/30/04/01/180300401.db2.gz XAVBTGQUOFVWHQ-UHFFFAOYSA-N 1 0 271.364 2.261 10 30 CEEERO CCC[NH2+][C@@H](C)c1cccc(-n2cnc(C#N)n2)c1 ZINC000092024150 180308851 /nfs/dbraw/zinc/30/88/51/180308851.db2.gz LYPZCVIYHOQTBT-NSHDSACASA-N 1 0 255.325 2.200 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000092137376 180333398 /nfs/dbraw/zinc/33/33/98/180333398.db2.gz MWAXDUWHUACAPF-QMMMGPOBSA-N 1 0 285.269 2.371 10 30 CEEERO N#CCN1CC[NH+](C[C@@H]2CSc3ccccc32)CC1 ZINC000092275899 180356403 /nfs/dbraw/zinc/35/64/03/180356403.db2.gz PDPCCQWDQWWPBD-CYBMUJFWSA-N 1 0 273.405 2.017 10 30 CEEERO CC[C@H](C#N)N1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092301688 180359429 /nfs/dbraw/zinc/35/94/29/180359429.db2.gz BNVMCJNIZFLPET-LSDHHAIUSA-N 1 0 285.391 2.082 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000092473775 180392905 /nfs/dbraw/zinc/39/29/05/180392905.db2.gz ATQQXUGTBUBHFR-ZDUSSCGKSA-N 1 0 276.380 2.427 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccc(SC)cc1 ZINC000092473945 180393974 /nfs/dbraw/zinc/39/39/74/180393974.db2.gz ADEWQEKZTSYNAB-LLVKDONJSA-N 1 0 264.394 2.361 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1 ZINC000092474523 180394041 /nfs/dbraw/zinc/39/40/41/180394041.db2.gz WLNGPCUNDNCEMT-OAHLLOKOSA-N 1 0 274.364 2.134 10 30 CEEERO C#CCn1c(N)c(CCc2ccccc2)[nH+]c1CC ZINC000108422006 186217009 /nfs/dbraw/zinc/21/70/09/186217009.db2.gz JRTOSUXAROZNBY-UHFFFAOYSA-N 1 0 253.349 2.446 10 30 CEEERO Cc1ccc(C[NH+]2CCN([C@H](C)C#N)CC2)cc1C ZINC000109453264 186254231 /nfs/dbraw/zinc/25/42/31/186254231.db2.gz XDEIJNCISJBMQF-OAHLLOKOSA-N 1 0 257.381 2.333 10 30 CEEERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C#N)c2ccccc2)C1 ZINC000110250324 186288962 /nfs/dbraw/zinc/28/89/62/186288962.db2.gz FTHLJRKPCTXLFK-HZPDHXFCSA-N 1 0 285.391 2.236 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])CC1 ZINC000110817727 186325951 /nfs/dbraw/zinc/32/59/51/186325951.db2.gz AOQNKJWTGSFXSL-CYBMUJFWSA-N 1 0 288.366 2.398 10 30 CEEERO CN(CC1CCCC1)C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000110847578 186328548 /nfs/dbraw/zinc/32/85/48/186328548.db2.gz DZPIYTIMLHYEFJ-UHFFFAOYSA-N 1 0 288.366 2.398 10 30 CEEERO CCN(C(=O)Nc1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000110941195 186334460 /nfs/dbraw/zinc/33/44/60/186334460.db2.gz ULJBMBVJAQSSBH-AWEZNQCLSA-N 1 0 272.352 2.164 10 30 CEEERO CCCN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000110948312 186335489 /nfs/dbraw/zinc/33/54/89/186335489.db2.gz IPRQMTACCSQLOB-AWEZNQCLSA-N 1 0 288.351 2.435 10 30 CEEERO C[N@H+](CCC[C@](C)(C#N)NC1CC1)CC1CCOCC1 ZINC000111169214 186365854 /nfs/dbraw/zinc/36/58/54/186365854.db2.gz LDKBADQLBVHZSW-MRXNPFEDSA-N 1 0 279.428 2.159 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@@H]2C)cc1 ZINC000111267961 186383207 /nfs/dbraw/zinc/38/32/07/186383207.db2.gz HSSCFQYYDKRDAX-XJKSGUPXSA-N 1 0 288.391 2.065 10 30 CEEERO C[NH2+]Cc1cccc(OCc2ccnc(C#N)c2)c1 ZINC000111833978 186461589 /nfs/dbraw/zinc/46/15/89/186461589.db2.gz PNXQERSRQLNWLV-UHFFFAOYSA-N 1 0 253.305 2.252 10 30 CEEERO N#Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000261702335 283106593 /nfs/dbraw/zinc/10/65/93/283106593.db2.gz OJFDVSHQPMHAED-OCCSQVGLSA-N 1 0 278.359 2.152 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H]([NH3+])C2)c(Br)c1 ZINC000169222487 283156934 /nfs/dbraw/zinc/15/69/34/283156934.db2.gz ZGFBRPFIUBZUPT-SNVBAGLBSA-N 1 0 280.169 2.248 10 30 CEEERO N#Cc1nnc2ccccc2c1NCC[C@@H]1CCC[NH2+]C1 ZINC000085920933 283259170 /nfs/dbraw/zinc/25/91/70/283259170.db2.gz MDSVBLPZQPIWFV-LBPRGKRZSA-N 1 0 281.363 2.303 10 30 CEEERO C[NH2+]C[C@H]1CCCN1c1cc(C#N)c2ccccc2n1 ZINC000156671160 283601117 /nfs/dbraw/zinc/60/11/17/283601117.db2.gz WMMRELCHLWNIQA-CYBMUJFWSA-N 1 0 266.348 2.295 10 30 CEEERO COc1ccc(C=N[n+]2cnn(-c3ccc(C)cc3)c2)cc1 ZINC000000162105 361137581 /nfs/dbraw/zinc/13/75/81/361137581.db2.gz SYEKFEXZCUYJSL-WOJGMQOQSA-N 1 0 293.350 2.359 10 30 CEEERO C=CCOc1cccc(C[N@H+]2CCC[C@H](NC(C)=O)C2)c1 ZINC000153853330 366740808 /nfs/dbraw/zinc/74/08/08/366740808.db2.gz LDPCGDBEWGXERH-INIZCTEOSA-N 1 0 288.391 2.352 10 30 CEEERO C=CCOc1cccc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)c1 ZINC000153853201 366741384 /nfs/dbraw/zinc/74/13/84/366741384.db2.gz LDPCGDBEWGXERH-MRXNPFEDSA-N 1 0 288.391 2.352 10 30 CEEERO CN1CCC/C1=[NH+]\C(=N/c1ccccc1)N1CCOCC1 ZINC000103624915 364666078 /nfs/dbraw/zinc/66/60/78/364666078.db2.gz OPPLDIXFHYTSSR-UNXSSPOQSA-N 1 0 286.379 2.130 10 30 CEEERO C[C@@H]([NH3+])[C@@H](C)Nc1cccc(Br)c1C#N ZINC000335846309 365063046 /nfs/dbraw/zinc/06/30/46/365063046.db2.gz WNKBYGWYCKSWKE-HTQZYQBOSA-N 1 0 268.158 2.468 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638874602 370813112 /nfs/dbraw/zinc/81/31/12/370813112.db2.gz HRLJPVVLJROCGT-GHMZBOCLSA-N 1 0 292.345 2.493 10 30 CEEERO N#Cc1csc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000245553501 370837449 /nfs/dbraw/zinc/83/74/49/370837449.db2.gz FPGXXYFOANYAQQ-ZDUSSCGKSA-N 1 0 261.394 2.290 10 30 CEEERO N#Cc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000171547672 367562999 /nfs/dbraw/zinc/56/29/99/367562999.db2.gz YVSKXOKIYBXHPP-UHFFFAOYSA-N 1 0 293.374 2.061 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000229605488 370428574 /nfs/dbraw/zinc/42/85/74/370428574.db2.gz NCLKPBJEKIASKL-CABZTGNLSA-N 1 0 260.297 2.019 10 30 CEEERO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233841699 370524184 /nfs/dbraw/zinc/52/41/84/370524184.db2.gz QBPWITCBRNGTCN-SNVBAGLBSA-N 1 0 277.328 2.004 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246922417 371032293 /nfs/dbraw/zinc/03/22/93/371032293.db2.gz YMCYONLLLIRLDP-XEZPLFJOSA-N 1 0 297.345 2.400 10 30 CEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)CC2 ZINC000248996451 371280442 /nfs/dbraw/zinc/28/04/42/371280442.db2.gz PDQKCYVBIDACIM-HZSPNIEDSA-N 1 0 287.411 2.388 10 30 CEEERO N#Cc1cc(N[C@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000336840710 213747176 /nfs/dbraw/zinc/74/71/76/213747176.db2.gz QKNXDFFMZLUQQG-MRXNPFEDSA-N 1 0 266.348 2.267 10 30 CEEERO CC[NH2+]CC1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000261572982 371655229 /nfs/dbraw/zinc/65/52/29/371655229.db2.gz ALPAATDRPKTVLG-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO CCc1nnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C#N)c1CC ZINC000262386973 371857284 /nfs/dbraw/zinc/85/72/84/371857284.db2.gz ZJDGIIMPXIXLBN-CQDKDKBSSA-N 1 0 299.422 2.037 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398728915 375353095 /nfs/dbraw/zinc/35/30/95/375353095.db2.gz BGSSPICMSLBRQZ-BFHYXJOUSA-N 1 0 250.386 2.409 10 30 CEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000310176932 376617638 /nfs/dbraw/zinc/61/76/38/376617638.db2.gz MNDCBBJDCPHAOD-PWSUYJOCSA-N 1 0 252.749 2.208 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000312830448 376729219 /nfs/dbraw/zinc/72/92/19/376729219.db2.gz NTMPPFWFWLFBNP-LLVKDONJSA-N 1 0 269.352 2.431 10 30 CEEERO C[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@]1(C)C[NH3+] ZINC000311580274 376677472 /nfs/dbraw/zinc/67/74/72/376677472.db2.gz CNSSJAUFQLFIPW-YMTOWFKASA-N 1 0 265.307 2.258 10 30 CEEERO N#CCOc1ccc(NC(=O)CCCCCC[NH3+])cc1 ZINC000040807728 184547724 /nfs/dbraw/zinc/54/77/24/184547724.db2.gz WFAVSAKYZGUHHR-UHFFFAOYSA-N 1 0 275.352 2.437 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccc(F)c(Br)c1 ZINC000093375493 184667961 /nfs/dbraw/zinc/66/79/61/184667961.db2.gz OYIPLAHBNKVNSS-LLVKDONJSA-N 1 0 298.159 2.446 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@]1(C)c1ccc(OCC)cc1 ZINC000093375186 184668233 /nfs/dbraw/zinc/66/82/33/184668233.db2.gz NKVVATKCZCRPLO-HNNXBMFYSA-N 1 0 259.353 2.117 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C1(C#N)CCCCC1 ZINC000092630752 285270187 /nfs/dbraw/zinc/27/01/87/285270187.db2.gz LKTBRWRQPIEDGU-AWEZNQCLSA-N 1 0 277.412 2.403 10 30 CEEERO CCN[C@@]1(C#N)CCC[C@H]1CC[NH+]1CCC(OC)CC1 ZINC000093554347 184689947 /nfs/dbraw/zinc/68/99/47/184689947.db2.gz SSDMGIYSUOAOJD-GOEBONIOSA-N 1 0 279.428 2.159 10 30 CEEERO CCCN[C@]1(C#N)CCC[C@@H]([NH+]2CCC(OC)CC2)C1 ZINC000093742450 184711097 /nfs/dbraw/zinc/71/10/97/184711097.db2.gz XQNIRXGFQBFKBR-GDBMZVCRSA-N 1 0 279.428 2.302 10 30 CEEERO Cc1nc(NC(=O)c2csc(C#CC[NH3+])c2)sc1C ZINC000093976013 184747207 /nfs/dbraw/zinc/74/72/07/184747207.db2.gz HLKYXUCZUPJNAC-UHFFFAOYSA-N 1 0 291.401 2.384 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094752049 184853317 /nfs/dbraw/zinc/85/33/17/184853317.db2.gz HQWQFRSYGIAQKH-JKSUJKDBSA-N 1 0 285.391 2.446 10 30 CEEERO C[NH2+]Cc1cc(OC)c(OC)cc1-c1cncc(C#N)c1 ZINC000094825207 184874668 /nfs/dbraw/zinc/87/46/68/184874668.db2.gz MHOKJDKEXUWZKI-UHFFFAOYSA-N 1 0 283.331 2.357 10 30 CEEERO COc1ccc2c3c1O[C@H]1CC(=O)C=C[C@]31CC[N@@H+](C)C2 ZINC000015250926 394467005 /nfs/dbraw/zinc/46/70/05/394467005.db2.gz QENVUHCAYXAROT-WMLDXEAASA-N 1 0 285.343 2.059 10 30 CEEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000174361670 395122892 /nfs/dbraw/zinc/12/28/92/395122892.db2.gz LFJOGDLDGBMPLP-CQSZACIVSA-N 1 0 287.411 2.365 10 30 CEEERO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCCO1 ZINC000183149644 395253175 /nfs/dbraw/zinc/25/31/75/395253175.db2.gz HFOQTSKBOLRFTI-ZYHUDNBSSA-N 1 0 293.392 2.105 10 30 CEEERO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@H]1CCCO1 ZINC000183149626 395253243 /nfs/dbraw/zinc/25/32/43/395253243.db2.gz HFOQTSKBOLRFTI-CMPLNLGQSA-N 1 0 293.392 2.105 10 30 CEEERO Cc1nc(N[C@H](CC[NH3+])C(F)F)c(Cl)cc1C#N ZINC000394771813 395210746 /nfs/dbraw/zinc/21/07/46/395210746.db2.gz GADPTCAPXVRPFT-SECBINFHSA-N 1 0 274.702 2.310 10 30 CEEERO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000181404242 395215016 /nfs/dbraw/zinc/21/50/16/395215016.db2.gz QJIAKOFGRJFXCO-ZDUSSCGKSA-N 1 0 289.379 2.012 10 30 CEEERO N#CC1(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000181515712 395218947 /nfs/dbraw/zinc/21/89/47/395218947.db2.gz QSVZIMGAVXVTRN-INIZCTEOSA-N 1 0 295.386 2.162 10 30 CEEERO COCC[N@@H+]1CCN(Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000186207795 395287578 /nfs/dbraw/zinc/28/75/78/395287578.db2.gz BHVGQSFIZOXEOU-OAHLLOKOSA-N 1 0 287.407 2.019 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC000192029195 395369927 /nfs/dbraw/zinc/36/99/27/395369927.db2.gz PQPMFJNFVBNNSJ-MRXNPFEDSA-N 1 0 265.360 2.261 10 30 CEEERO C(#Cc1ccccc1)C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000192027008 395370037 /nfs/dbraw/zinc/37/00/37/395370037.db2.gz ZNRHDCNXKGFPEI-KRWDZBQOSA-N 1 0 280.375 2.042 10 30 CEEERO C=C(C)C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195289152 395463904 /nfs/dbraw/zinc/46/39/04/395463904.db2.gz GKAANOJWEFDHQU-INIZCTEOSA-N 1 0 259.397 2.411 10 30 CEEERO C=CCOCC[N@H+]1C[C@@H]2CCCCN2C[C@H]1CC ZINC000302328169 400331404 /nfs/dbraw/zinc/33/14/04/400331404.db2.gz FVUFYWRGBNYYLQ-CABCVRRESA-N 1 0 252.402 2.138 10 30 CEEERO C[C@@]1(C[NH3+])CCN(c2ccc(Br)cc2C#N)C1 ZINC000261559825 153761868 /nfs/dbraw/zinc/76/18/68/153761868.db2.gz UCLTXJAJMCHHMU-ZDUSSCGKSA-N 1 0 294.196 2.496 10 30 CEEERO CC1CCN(C(=[NH2+])NCc2ccc(C#N)s2)CC1 ZINC000263188977 154032546 /nfs/dbraw/zinc/03/25/46/154032546.db2.gz VHKZWJJGVWJBJE-UHFFFAOYSA-N 1 0 262.382 2.376 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000246162191 162463696 /nfs/dbraw/zinc/46/36/96/162463696.db2.gz DKLQGGKZBCMWLH-IUODEOHRSA-N 1 0 286.379 2.408 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncccc1C#N ZINC000267303578 287232198 /nfs/dbraw/zinc/23/21/98/287232198.db2.gz VFBCVULCQRRJCI-KGLIPLIRSA-N 1 0 256.353 2.016 10 30 CEEERO CN(CCC#N)C(=O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000035174435 172027859 /nfs/dbraw/zinc/02/78/59/172027859.db2.gz NFSFYRRRFMJFJX-KGLIPLIRSA-N 1 0 263.385 2.013 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)CCCCC[NH3+] ZINC000037807940 173750993 /nfs/dbraw/zinc/75/09/93/173750993.db2.gz WVUKUFWDYHEPNG-UHFFFAOYSA-N 1 0 259.353 2.036 10 30 CEEERO CC[C@@H]1CCCN1C(=O)c1ccccc1C#CC[NH3+] ZINC000037915535 173849954 /nfs/dbraw/zinc/84/99/54/173849954.db2.gz JGBYFSGPDXAHJZ-CQSZACIVSA-N 1 0 256.349 2.011 10 30 CEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1C(C)C ZINC000661117104 415103251 /nfs/dbraw/zinc/10/32/51/415103251.db2.gz OHXIQLIBPZXGTA-STQMWFEESA-N 1 0 263.389 2.479 10 30 CEEERO N#Cc1c(F)cccc1O[C@H](C[NH3+])c1cccnc1 ZINC000043351242 175019950 /nfs/dbraw/zinc/01/99/50/175019950.db2.gz RBMGJJYYUOPSPH-CQSZACIVSA-N 1 0 257.268 2.171 10 30 CEEERO N#Cc1ccc(C(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000044456055 175176643 /nfs/dbraw/zinc/17/66/43/175176643.db2.gz GTQVRKQQONVALO-UHFFFAOYSA-N 1 0 271.364 2.164 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732455 175241186 /nfs/dbraw/zinc/24/11/86/175241186.db2.gz QITXLNIKQGXBGU-NHYWBVRUSA-N 1 0 274.364 2.092 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000045091842 175305797 /nfs/dbraw/zinc/30/57/97/175305797.db2.gz QNUGRVQYFKKTED-UHFFFAOYSA-N 1 0 276.355 2.254 10 30 CEEERO CCCN[C@](C)(C#N)CCN(C)C1CC[NH+](CC)CC1 ZINC000045182541 175325736 /nfs/dbraw/zinc/32/57/36/175325736.db2.gz OMYSXATYXWCTLZ-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCCN1CCC([NH+](C)C)CC1 ZINC000045311160 175356607 /nfs/dbraw/zinc/35/66/07/175356607.db2.gz XELUCWNJIXHANP-KRWDZBQOSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@](C)(C#N)CCCCN1CCC([NH+](C)C)CC1 ZINC000045311153 175356806 /nfs/dbraw/zinc/35/68/06/175356806.db2.gz NMQYQAYOOCYAHP-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO CN[C@@](C)(C#N)CCCC[N@H+](CCOC)CC(C)C ZINC000045315015 175357204 /nfs/dbraw/zinc/35/72/04/175357204.db2.gz JOSINAYNCSELJD-OAHLLOKOSA-N 1 0 269.433 2.263 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](C)C1CCN(CC)CC1 ZINC000045317137 175358419 /nfs/dbraw/zinc/35/84/19/175358419.db2.gz REQSUPQAXLZQMA-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCO)c1 ZINC000049617208 175494606 /nfs/dbraw/zinc/49/46/06/175494606.db2.gz TUSFXLZWWMQKEK-CYBMUJFWSA-N 1 0 261.365 2.269 10 30 CEEERO COc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1C#CCO ZINC000049618507 175495197 /nfs/dbraw/zinc/49/51/97/175495197.db2.gz YPDBCMCGYIYVRS-ZDUSSCGKSA-N 1 0 273.376 2.269 10 30 CEEERO C=C[C@@H](C)Oc1c(OC)cc(CC[NH3+])cc1OC ZINC000052143979 175532938 /nfs/dbraw/zinc/53/29/38/175532938.db2.gz VMUSJSNRIRZXDE-SNVBAGLBSA-N 1 0 251.326 2.158 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731360 175674053 /nfs/dbraw/zinc/67/40/53/175674053.db2.gz BIYHYPALLOXMBK-ZDUSSCGKSA-N 1 0 288.391 2.091 10 30 CEEERO CC[C@@H]([NH3+])[C@H](N(CCC#N)CCOC)C(C)(C)C ZINC000071222209 176087413 /nfs/dbraw/zinc/08/74/13/176087413.db2.gz QMZHBTLIQAUFPL-OLZOCXBDSA-N 1 0 255.406 2.000 10 30 CEEERO C=CCCOc1c(OC)cc(C[NH2+]CCOC)cc1OC ZINC000071275014 176106052 /nfs/dbraw/zinc/10/60/52/176106052.db2.gz VMDJWMMNJGUUAC-UHFFFAOYSA-N 1 0 295.379 2.395 10 30 CEEERO CCCN(c1nc2c(cc1C#N)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000071332461 176125540 /nfs/dbraw/zinc/12/55/40/176125540.db2.gz HRWLNGQXJFIZAL-OAHLLOKOSA-N 1 0 284.407 2.410 10 30 CEEERO N#Cc1cc2ccccc2nc1OC[C@H]1CCC[NH2+]1 ZINC000071386302 176147603 /nfs/dbraw/zinc/14/76/03/176147603.db2.gz DWEJKDUQTLCVHZ-CYBMUJFWSA-N 1 0 253.305 2.237 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400801 176152898 /nfs/dbraw/zinc/15/28/98/176152898.db2.gz USGFRLHKXHEEDU-ZFWWWQNUSA-N 1 0 273.380 2.475 10 30 CEEERO Cc1ccc(OCc2cccnc2C#N)c(CC[NH3+])c1 ZINC000071411557 176157046 /nfs/dbraw/zinc/15/70/46/176157046.db2.gz QQBUJHAWZYAYDU-UHFFFAOYSA-N 1 0 267.332 2.342 10 30 CEEERO CCC[C@H](C(=O)Nc1ccc(CC#N)cc1)[NH+](C)C ZINC000161276421 261241994 /nfs/dbraw/zinc/24/19/94/261241994.db2.gz SSTDSPJHYHSFSX-CQSZACIVSA-N 1 0 259.353 2.421 10 30 CEEERO N#CCC[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000177029399 261681874 /nfs/dbraw/zinc/68/18/74/261681874.db2.gz ZUVQZFOGPMEAFX-QGZVFWFLSA-N 1 0 288.391 2.190 10 30 CEEERO CN(C(=[NH2+])NCc1nccc2ccccc21)C1CC1 ZINC000181461413 264462271 /nfs/dbraw/zinc/46/22/71/264462271.db2.gz QBVFSGXOOGPGBR-UHFFFAOYSA-N 1 0 254.337 2.144 10 30 CEEERO CC[NH2+]CC1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000124896519 273685033 /nfs/dbraw/zinc/68/50/33/273685033.db2.gz PTEQZNXQSKIODT-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO C[NH+](C)[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000105569333 273808365 /nfs/dbraw/zinc/80/83/65/273808365.db2.gz NPORPENNIBIHAI-CYBMUJFWSA-N 1 0 266.348 2.247 10 30 CEEERO C[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1[NH3+] ZINC000253267878 274364942 /nfs/dbraw/zinc/36/49/42/274364942.db2.gz YLTBXYYUTNPUOF-BXKDBHETSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@H]1CN(c2cccc(Br)c2C#N)C[C@@H]1[NH3+] ZINC000235674795 274595089 /nfs/dbraw/zinc/59/50/89/274595089.db2.gz VLSVVCABOINKRB-KWQFWETISA-N 1 0 280.169 2.104 10 30 CEEERO Cc1cc(C)c(C#N)c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000252847308 274683184 /nfs/dbraw/zinc/68/31/84/274683184.db2.gz FZHMTOUOTLBNES-AEGPPILISA-N 1 0 270.380 2.134 10 30 CEEERO C[C@H]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235674565 278370073 /nfs/dbraw/zinc/37/00/73/278370073.db2.gz IVKOGRTUYMROPE-GXFFZTMASA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000229600648 279035761 /nfs/dbraw/zinc/03/57/61/279035761.db2.gz BYHCJSRQHGLLPT-GXSJLCMTSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@@H]1[C@H]([NH3+])CCN1c1cccc(Br)c1C#N ZINC000261569405 279114891 /nfs/dbraw/zinc/11/48/91/279114891.db2.gz GHIWYEQDWPIFQR-LDYMZIIASA-N 1 0 280.169 2.247 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)cs1 ZINC000245737087 280259044 /nfs/dbraw/zinc/25/90/44/280259044.db2.gz LATLCJBVGHPXJS-AAEUAGOBSA-N 1 0 261.394 2.288 10 30 CEEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000249284299 280391212 /nfs/dbraw/zinc/39/12/12/280391212.db2.gz OQIXSEBXQUVBAE-RKVPGOIHSA-N 1 0 299.418 2.272 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000174988053 288310656 /nfs/dbraw/zinc/31/06/56/288310656.db2.gz KRZCLYRFIGKZCN-JKSUJKDBSA-N 1 0 283.375 2.257 10 30 CEEERO C[C@H]1CN(Cc2ccc(CC#N)cc2)C[C@H]1[NH+](C)C ZINC000343772922 327035166 /nfs/dbraw/zinc/03/51/66/327035166.db2.gz SXOSUUZXBBCCSK-XJKSGUPXSA-N 1 0 257.381 2.135 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336787713 328841125 /nfs/dbraw/zinc/84/11/25/328841125.db2.gz MMDDBPNFNACVIQ-VLEAKVRGSA-N 1 0 262.275 2.378 10 30 CEEERO C=CCCCC(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000175694716 329167936 /nfs/dbraw/zinc/16/79/36/329167936.db2.gz PRAMMBPMWPWATL-HNNXBMFYSA-N 1 0 282.428 2.302 10 30 CEEERO C[NH+]=C(NCc1ccoc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000179132338 329205814 /nfs/dbraw/zinc/20/58/14/329205814.db2.gz DJNXDPMTZCJLHS-OKILXGFUSA-N 1 0 261.369 2.477 10 30 CEEERO C=CCC[C@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)C1CC1 ZINC000180618373 329221275 /nfs/dbraw/zinc/22/12/75/329221275.db2.gz AVANCJCWGYRAIG-KGLIPLIRSA-N 1 0 274.412 2.490 10 30 CEEERO C=C[C@](C)(CCOC)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000189203823 329377059 /nfs/dbraw/zinc/37/70/59/329377059.db2.gz HAGNRSBLDNCRHF-GDBMZVCRSA-N 1 0 282.428 2.158 10 30 CEEERO C[NH+]=C(N[C@H]1CC1(C)C)N(C)Cc1cc(Cl)cn1C ZINC000262010626 329997094 /nfs/dbraw/zinc/99/70/94/329997094.db2.gz WNGDNFBSVAPALF-LBPRGKRZSA-N 1 0 282.819 2.484 10 30 CEEERO COC1CCC(C)(C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000262480747 330016584 /nfs/dbraw/zinc/01/65/84/330016584.db2.gz RKYOBRGMNLWQAZ-UHFFFAOYSA-N 1 0 255.406 2.061 10 30 CEEERO CC1=CCN(CCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000262263057 330003066 /nfs/dbraw/zinc/00/30/66/330003066.db2.gz GVJSDJHPCUXLJA-UHFFFAOYSA-N 1 0 294.349 2.343 10 30 CEEERO [NH2+]=C(NC1CC1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000262324538 330006191 /nfs/dbraw/zinc/00/61/91/330006191.db2.gz DCUGUZAGVPGUEX-NWDGAFQWSA-N 1 0 281.306 2.211 10 30 CEEERO [NH2+]=C(NC1CC1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262399362 330008138 /nfs/dbraw/zinc/00/81/38/330008138.db2.gz UIQDAECSAXNFPE-KCJUWKMLSA-N 1 0 267.735 2.402 10 30 CEEERO CC[NH+]=C(NC[C@](C)(O)c1ccc(C)o1)N[C@@H]1CC1(C)C ZINC000262424801 330009540 /nfs/dbraw/zinc/00/95/40/330009540.db2.gz QWWYPGCBNZYASP-WBMJQRKESA-N 1 0 293.411 2.149 10 30 CEEERO C#CCNC(N[C@@H]1C[C@H]1c1c(F)cccc1Cl)=[NH+]C ZINC000262379435 330011675 /nfs/dbraw/zinc/01/16/75/330011675.db2.gz KEEVVNHJFZODDI-BXKDBHETSA-N 1 0 279.746 2.133 10 30 CEEERO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCC[C@@H]1C#N ZINC000262442580 330013278 /nfs/dbraw/zinc/01/32/78/330013278.db2.gz UTSQXOUDIZSZAS-VXGBXAGGSA-N 1 0 291.424 2.117 10 30 CEEERO C=C(C)CNC(=[NH2+])NCC1(C)CCC(OC)CC1 ZINC000262474069 330015894 /nfs/dbraw/zinc/01/58/94/330015894.db2.gz PPMPUERMBCBKFI-UHFFFAOYSA-N 1 0 253.390 2.062 10 30 CEEERO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@]1(C)c1ccccc1OC ZINC000262656178 330024754 /nfs/dbraw/zinc/02/47/54/330024754.db2.gz KNKQVVJVBGRGOU-HZUKXOBISA-N 1 0 275.396 2.428 10 30 CEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N1CCCC1 ZINC000262662510 330025042 /nfs/dbraw/zinc/02/50/42/330025042.db2.gz MEZBGBYDJJKGPD-VIFPVBQESA-N 1 0 287.816 2.106 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CC23CCOCC3)cc1 ZINC000262801627 330032710 /nfs/dbraw/zinc/03/27/10/330032710.db2.gz MNJVSPKKUUCOBE-LBPRGKRZSA-N 1 0 289.379 2.239 10 30 CEEERO CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@H](C)C(C)C ZINC000263117687 330044587 /nfs/dbraw/zinc/04/45/87/330044587.db2.gz GADSOJTXUWVHRT-LLVKDONJSA-N 1 0 293.440 2.495 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000185831497 333149919 /nfs/dbraw/zinc/14/99/19/333149919.db2.gz KMNBOBCRPPTTSV-IHRRRGAJSA-N 1 0 252.402 2.434 10 30 CEEERO C=C(C)COCC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186420841 333160353 /nfs/dbraw/zinc/16/03/53/333160353.db2.gz ORXTXFKXOHDSCJ-CABCVRRESA-N 1 0 283.412 2.143 10 30 CEEERO C#CCCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000133660661 334049184 /nfs/dbraw/zinc/04/91/84/334049184.db2.gz PIVCWUYSOZHDDP-CYBMUJFWSA-N 1 0 266.385 2.389 10 30 CEEERO N#CCc1ccc(C[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000343529114 335207253 /nfs/dbraw/zinc/20/72/53/335207253.db2.gz LYRYVRSKAFBVPZ-MRXNPFEDSA-N 1 0 258.365 2.490 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612929 520032558 /nfs/dbraw/zinc/03/25/58/520032558.db2.gz BOAYXUPLRCTWBD-DOTOQJQBSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612924 520102421 /nfs/dbraw/zinc/10/24/21/520102421.db2.gz BOAYXUPLRCTWBD-RDJZCZTQSA-N 1 0 294.487 2.463 10 30 CEEERO CCN[C@]1(C#N)CCC[C@H]1CC[N@H+](C)CCN1CCCC1 ZINC000093557695 517669097 /nfs/dbraw/zinc/66/90/97/517669097.db2.gz XCCZBZRXHRDPBF-IRXDYDNUSA-N 1 0 292.471 2.076 10 30 CEEERO CC(C)CN(CCC#N)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050947649 519714921 /nfs/dbraw/zinc/71/49/21/519714921.db2.gz IZEOLHHDBROQBP-AWEZNQCLSA-N 1 0 265.401 2.307 10 30 CEEERO CC[NH2+]CCCc1cnn(-c2ccc(C#N)cc2)c1 ZINC000054680082 519920674 /nfs/dbraw/zinc/92/06/74/519920674.db2.gz LVDJPTJXFXGDFJ-UHFFFAOYSA-N 1 0 254.337 2.286 10 30 CEEERO CCC[NH2+]Cc1nccn1Cc1ccccc1C#N ZINC000051005275 519969007 /nfs/dbraw/zinc/96/90/07/519969007.db2.gz PNUVBGHIOCVMSP-UHFFFAOYSA-N 1 0 254.337 2.303 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611460 520031063 /nfs/dbraw/zinc/03/10/63/520031063.db2.gz OXPMFUUJJFWHAG-GOEBONIOSA-N 1 0 280.460 2.073 10 30 CEEERO CC[NH2+][C@@H](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000061269266 520060287 /nfs/dbraw/zinc/06/02/87/520060287.db2.gz VJKAPCXLLNWAAR-ZDUSSCGKSA-N 1 0 259.353 2.321 10 30 CEEERO CCCN[C@H](C#N)CC[N@H+](CCOC)C(CC)CC ZINC000062437718 520060550 /nfs/dbraw/zinc/06/05/50/520060550.db2.gz VZZJOVLHSADDQH-AWEZNQCLSA-N 1 0 269.433 2.405 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616179 520101845 /nfs/dbraw/zinc/10/18/45/520101845.db2.gz MVWYKQZHHZGXIM-CVEARBPZSA-N 1 0 280.460 2.074 10 30 CEEERO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C#N)c1ccccc1 ZINC000061615427 520733959 /nfs/dbraw/zinc/73/39/59/520733959.db2.gz WFEFWASDYJZCTR-DZGCQCFKSA-N 1 0 273.380 2.140 10 30 CEEERO CCC[C@@]1(C(=O)N(CCC#N)CC(C)C)CC[NH2+]C1 ZINC000062896214 520941592 /nfs/dbraw/zinc/94/15/92/520941592.db2.gz NHVIOOHECACCLV-OAHLLOKOSA-N 1 0 265.401 2.164 10 30 CEEERO CC[C@H](C)[C@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049105801 521933274 /nfs/dbraw/zinc/93/32/74/521933274.db2.gz VSONWXCLKJGVMV-STQMWFEESA-N 1 0 258.365 2.161 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(CCCC[C@@](C)(C#N)NC)CC1 ZINC000055070182 522118766 /nfs/dbraw/zinc/11/87/66/522118766.db2.gz FVTOQDVNMXNQMQ-CVEARBPZSA-N 1 0 280.460 2.074 10 30 CEEERO CC[C@H](C)[N@H+](CCOC)CC[C@@H](C#N)NC(C)C ZINC000062437411 523939586 /nfs/dbraw/zinc/93/95/86/523939586.db2.gz CVOYQVZWFYIBGN-KBPBESRZSA-N 1 0 255.406 2.014 10 30 CEEERO COCC[NH2+]Cc1cc(C)c(O[C@@H](C)C#N)c(C)c1 ZINC000062728707 523948444 /nfs/dbraw/zinc/94/84/44/523948444.db2.gz BSBCLEXCXMHHRZ-ZDUSSCGKSA-N 1 0 262.353 2.330 10 30 CEEERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1ccc(F)cc1C#N ZINC000070156579 524133834 /nfs/dbraw/zinc/13/38/34/524133834.db2.gz WXCDCCVHQAYQRL-NHYWBVRUSA-N 1 0 261.344 2.399 10 30 CEEERO C[C@H](CC[NH+](C)C)NCc1cccc(OCC#N)c1 ZINC000049554010 524164789 /nfs/dbraw/zinc/16/47/89/524164789.db2.gz DLDQWADPNVFWHN-CYBMUJFWSA-N 1 0 261.369 2.019 10 30 CEEERO C[C@@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616460 524861107 /nfs/dbraw/zinc/86/11/07/524861107.db2.gz IJVGEXVSOPBJCQ-OFQRWUPVSA-N 1 0 279.428 2.158 10 30 CEEERO C[C@]([NH3+])(C(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000052882027 525145248 /nfs/dbraw/zinc/14/52/48/525145248.db2.gz FBTXXZFDJTXAAD-QGZVFWFLSA-N 1 0 279.343 2.049 10 30 CEEERO Cc1nn(Cc2cc(C#N)ccc2F)c(C)c1C[C@H](C)[NH3+] ZINC000062803240 526287122 /nfs/dbraw/zinc/28/71/22/526287122.db2.gz XHWAWDIWOZELSV-JTQLQIEISA-N 1 0 286.354 2.449 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1OC1CCC([NH3+])CC1 ZINC000055143672 526578053 /nfs/dbraw/zinc/57/80/53/526578053.db2.gz SFGFXSAUXYIQKA-UHFFFAOYSA-N 1 0 261.281 2.115 10 30 CEEERO N#Cc1ccc(OC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000055143690 526668897 /nfs/dbraw/zinc/66/88/97/526668897.db2.gz LUNVBZWINBUJGD-UHFFFAOYSA-N 1 0 261.281 2.115 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)NC2CCCCCCC2)nc1 ZINC000061871629 527149245 /nfs/dbraw/zinc/14/92/45/527149245.db2.gz SVJLXKDREABQRN-UHFFFAOYSA-N 1 0 285.391 2.235 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@@H]([C@@H](C)[NH3+])C2)n1 ZINC000070175210 625071944 /nfs/dbraw/zinc/07/19/44/625071944.db2.gz DTWOXFMTBAZXIN-CHWSQXEVSA-N 1 0 258.369 2.134 10 30 CEEERO CCN(c1nc(C)c(C#N)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000311130760 627373799 /nfs/dbraw/zinc/37/37/99/627373799.db2.gz QUXUEYCYZUVHAZ-LLVKDONJSA-N 1 0 264.760 2.103 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000156804249 639398526 /nfs/dbraw/zinc/39/85/26/639398526.db2.gz QBFOHDBNUDFHGU-CYBMUJFWSA-N 1 0 276.340 2.276 10 30 CEEERO C=CCN(CC(=O)OCC)C[C@H]1Cc2ccccc21 ZINC000157399337 639487424 /nfs/dbraw/zinc/48/74/24/639487424.db2.gz VUTMOMVSHDLSGV-CQSZACIVSA-N 1 0 259.349 2.377 10 30 CEEERO N#CCOc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000061892073 639728345 /nfs/dbraw/zinc/72/83/45/639728345.db2.gz VQHLRPGGDAHGFX-ZFWWWQNUSA-N 1 0 255.321 2.371 10 30 CEEERO C[NH2+][C@@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000116942613 645595926 /nfs/dbraw/zinc/59/59/26/645595926.db2.gz SQDXQSSVLYMXGR-SNVBAGLBSA-N 1 0 280.169 2.119 10 30 CEEERO C=CCC[C@@H](O)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000125060519 187167922 /nfs/dbraw/zinc/16/79/22/187167922.db2.gz FITLPBPEMBTWDJ-MRXNPFEDSA-N 1 0 277.412 2.410 10 30 CEEERO N#Cc1ccc(NC(=O)C2([NH3+])CCCCC2)c([N+](=O)[O-])c1 ZINC000096601329 185108297 /nfs/dbraw/zinc/10/82/97/185108297.db2.gz JFYPSJPWXSQCGZ-UHFFFAOYSA-N 1 0 288.307 2.067 10 30 CEEERO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1ccccc1C ZINC000036099984 361828109 /nfs/dbraw/zinc/82/81/09/361828109.db2.gz WNUDZDQRPUQTKF-KRWDZBQOSA-N 1 0 275.392 2.218 10 30 CEEERO N#Cc1cnc2ccccc2c1NC1CC[NH2+]CC1 ZINC000036913283 361870494 /nfs/dbraw/zinc/87/04/94/361870494.db2.gz QZHZPDPZAGEGTA-UHFFFAOYSA-N 1 0 252.321 2.270 10 30 CEEERO CCC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000037852820 361955226 /nfs/dbraw/zinc/95/52/26/361955226.db2.gz HPUJERBSWAFICW-GXTWGEPZSA-N 1 0 262.353 2.076 10 30 CEEERO CN(c1ccc([N+](=O)[O-])c(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000127844740 187336128 /nfs/dbraw/zinc/33/61/28/187336128.db2.gz TVHPQRRZRYMPAE-ONXXMXGDSA-N 1 0 286.335 2.186 10 30 CEEERO C#CCOc1ccc(Cl)cc1C[NH2+]CCOC ZINC000045945884 362171874 /nfs/dbraw/zinc/17/18/74/362171874.db2.gz YEJIZAITNICQSH-UHFFFAOYSA-N 1 0 253.729 2.088 10 30 CEEERO C#CC[NH2+]Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000045945305 362171611 /nfs/dbraw/zinc/17/16/11/362171611.db2.gz IURHYBJVIWAAGD-UHFFFAOYSA-N 1 0 253.729 2.470 10 30 CEEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000044493233 343472495 /nfs/dbraw/zinc/47/24/95/343472495.db2.gz VAPCIIHPTQDKEB-LLVKDONJSA-N 1 0 260.297 2.020 10 30 CEEERO Cc1nc(NC[C@@H]([NH3+])C(C)C)c(Cl)cc1C#N ZINC000336718035 365781713 /nfs/dbraw/zinc/78/17/13/365781713.db2.gz QUWSWEJJHSNWJX-LLVKDONJSA-N 1 0 252.749 2.310 10 30 CEEERO N#Cc1cc(Br)ccc1NC1CC[NH2+]CC1 ZINC000132697030 344364935 /nfs/dbraw/zinc/36/49/35/344364935.db2.gz MWVMWEQESVFUNK-UHFFFAOYSA-N 1 0 280.169 2.485 10 30 CEEERO N#Cc1cccnc1N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000136213843 344384234 /nfs/dbraw/zinc/38/42/34/344384234.db2.gz XYMYHKBALQVRBG-HNNXBMFYSA-N 1 0 264.332 2.016 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000156557439 344442467 /nfs/dbraw/zinc/44/24/67/344442467.db2.gz QZEIOLBCBVFPTF-RNCFNFMXSA-N 1 0 299.296 2.129 10 30 CEEERO N#Cc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)ccn1 ZINC000160443966 344458783 /nfs/dbraw/zinc/45/87/83/344458783.db2.gz VXXHPKXPIFZQKP-ZBFHGGJFSA-N 1 0 271.364 2.080 10 30 CEEERO C[C@@H]([NH3+])CNc1ccc(Br)cc1C#N ZINC000165303871 344474351 /nfs/dbraw/zinc/47/43/51/344474351.db2.gz UTGWWJCVEHXWGR-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000097092964 185529164 /nfs/dbraw/zinc/52/91/64/185529164.db2.gz MCRWZTQMLPLUMP-WPRPVWTQSA-N 1 0 263.728 2.278 10 30 CEEERO C[C@@H](CC[NH3+])Nc1cccc(Br)c1C#N ZINC000308956868 201856976 /nfs/dbraw/zinc/85/69/76/201856976.db2.gz ZOXGMXXVCKNYJU-QMMMGPOBSA-N 1 0 268.158 2.470 10 30 CEEERO Cc1ccc(C#N)c(NCCC[NH2+]Cc2cccnc2)n1 ZINC000063197173 362758408 /nfs/dbraw/zinc/75/84/08/362758408.db2.gz ODSMXQHWTCAXKQ-UHFFFAOYSA-N 1 0 281.363 2.249 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2cc(C#N)c3ccccc3n2)C[NH2+]1 ZINC000600956063 346717181 /nfs/dbraw/zinc/71/71/81/346717181.db2.gz VOGYBIOQUNYDQJ-DGCLKSJQSA-N 1 0 266.348 2.081 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000086139184 179236650 /nfs/dbraw/zinc/23/66/50/179236650.db2.gz KKANYHWGDHVLSZ-MRVPVSSYSA-N 1 0 258.774 2.354 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1ccc(Br)s1 ZINC000086473574 179300505 /nfs/dbraw/zinc/30/05/05/179300505.db2.gz LGBBXPQKYJZPTJ-ZETCQYMHSA-N 1 0 286.198 2.368 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N(CC1CC1)C1CC1 ZINC000087748611 179480314 /nfs/dbraw/zinc/48/03/14/179480314.db2.gz RSPNVCZCTZPFGR-UHFFFAOYSA-N 1 0 282.387 2.320 10 30 CEEERO COc1ccc(COC[C@H]2CCC[C@H]2C[NH3+])cc1C#N ZINC000089537257 179812955 /nfs/dbraw/zinc/81/29/55/179812955.db2.gz ZXYKQZUEGCMZEX-UONOGXRCSA-N 1 0 274.364 2.458 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2CO)c1 ZINC000089505363 179806645 /nfs/dbraw/zinc/80/66/45/179806645.db2.gz JKCMLEJCLXBMQQ-HOTGVXAUSA-N 1 0 288.391 2.477 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000089741930 179857744 /nfs/dbraw/zinc/85/77/44/179857744.db2.gz RLPBZLQEOAKWHA-SECBINFHSA-N 1 0 263.728 2.150 10 30 CEEERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1c1ccc(C#N)cc1F ZINC000090338887 179966964 /nfs/dbraw/zinc/96/69/64/179966964.db2.gz XIOMHFABUUJABM-NWDGAFQWSA-N 1 0 259.328 2.132 10 30 CEEERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc(C(F)(F)F)cc1C#N ZINC000090314011 179956577 /nfs/dbraw/zinc/95/65/77/179956577.db2.gz VXWRZJXVMWVBRL-UHTWSYAYSA-N 1 0 299.296 2.494 10 30 CEEERO N#Cc1c(CSCC2C[NH2+]C2)cn2ccccc12 ZINC000090712834 180028731 /nfs/dbraw/zinc/02/87/31/180028731.db2.gz UFVGSAJLJODRSP-UHFFFAOYSA-N 1 0 257.362 2.264 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@H]1[NH3+] ZINC000090589689 180010294 /nfs/dbraw/zinc/01/02/94/180010294.db2.gz AEMNADLUUQSHEZ-HIFRSBDPSA-N 1 0 292.404 2.267 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)[C@H]2Cc3ccccc32)c1 ZINC000090985724 180080689 /nfs/dbraw/zinc/08/06/89/180080689.db2.gz SQWQTUGQWZDCOV-INIZCTEOSA-N 1 0 296.395 2.014 10 30 CEEERO CC[C@H]([NH3+])Cc1ccn(Cc2cccnc2C#N)c1 ZINC000091006329 180084495 /nfs/dbraw/zinc/08/44/95/180084495.db2.gz TZQBVROJMNVEAF-AWEZNQCLSA-N 1 0 254.337 2.083 10 30 CEEERO N#Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)ccc1Cl ZINC000091134870 180103536 /nfs/dbraw/zinc/10/35/36/180103536.db2.gz LTNAEHVZUUFNMX-NSHDSACASA-N 1 0 295.795 2.245 10 30 CEEERO CC[C@@H]1CC[C@@H](C#N)[C@H]([N@H+](C)CC2CC(O)C2)C1 ZINC000091462942 180162432 /nfs/dbraw/zinc/16/24/32/180162432.db2.gz JEAYEDQCLIJZJS-DMVUBFGOSA-N 1 0 250.386 2.408 10 30 CEEERO C[C@H]1CCCCC[C@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091463687 180162568 /nfs/dbraw/zinc/16/25/68/180162568.db2.gz VKLTUHGANNJYQX-XJKSGUPXSA-N 1 0 285.391 2.090 10 30 CEEERO CSC1(C#N)CC[NH+](CC2(O)CCCC2)CC1 ZINC000091471109 180164882 /nfs/dbraw/zinc/16/48/82/180164882.db2.gz BCUSZRXLLJIETI-UHFFFAOYSA-N 1 0 254.399 2.013 10 30 CEEERO CSC1(C#N)CC[NH+](CCc2ccncc2)CC1 ZINC000091473645 180165129 /nfs/dbraw/zinc/16/51/29/180165129.db2.gz BGGARLDJVDIGFM-UHFFFAOYSA-N 1 0 261.394 2.345 10 30 CEEERO C=C(C)COCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000091397687 180147622 /nfs/dbraw/zinc/14/76/22/180147622.db2.gz MTXWVLKGNGRWDO-NSHDSACASA-N 1 0 275.352 2.100 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091540279 180183897 /nfs/dbraw/zinc/18/38/97/180183897.db2.gz ZCOJXQAWRMXUDK-LSDHHAIUSA-N 1 0 288.391 2.337 10 30 CEEERO CCC[NH2+][C@H](CCC)c1ccn(CC(=O)NCCC#N)c1 ZINC000091823552 180263892 /nfs/dbraw/zinc/26/38/92/180263892.db2.gz CJJYELSHOKBIKS-OAHLLOKOSA-N 1 0 290.411 2.359 10 30 CEEERO CCN(CC)C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000091962383 180293371 /nfs/dbraw/zinc/29/33/71/180293371.db2.gz HCZIKNMCICGXAZ-ZDUSSCGKSA-N 1 0 273.380 2.109 10 30 CEEERO COCC[NH2+]Cc1nc(C)ccc1OCCC(C)(C)C#N ZINC000091996590 180302556 /nfs/dbraw/zinc/30/25/56/180302556.db2.gz JEFKJGMBOPECNS-UHFFFAOYSA-N 1 0 291.395 2.445 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@@H]([NH3+])C1 ZINC000092202628 180343349 /nfs/dbraw/zinc/34/33/49/180343349.db2.gz RXPMRJHNCIEXBT-GZMMTYOYSA-N 1 0 261.712 2.054 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000092208408 180344740 /nfs/dbraw/zinc/34/47/40/180344740.db2.gz JQGMAYMIJQEXRE-SCZZXKLOSA-N 1 0 295.264 2.419 10 30 CEEERO CC(C)[C@H](CO)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000092392507 180375834 /nfs/dbraw/zinc/37/58/34/180375834.db2.gz LXIVYUDQTFEJOA-PCKAHOCUSA-N 1 0 258.365 2.217 10 30 CEEERO CN(Cc1cccc(C#N)c1)Cc1cc(N)cc[nH+]1 ZINC000092419054 180382734 /nfs/dbraw/zinc/38/27/34/180382734.db2.gz ZAUXKEANHUCMLA-UHFFFAOYSA-N 1 0 252.321 2.167 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000092475006 180394157 /nfs/dbraw/zinc/39/41/57/180394157.db2.gz RSJGMXZIRWRAQM-CQSZACIVSA-N 1 0 294.782 2.016 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000092474437 180394178 /nfs/dbraw/zinc/39/41/78/180394178.db2.gz ICYLYCDDHRUSIP-UHFFFAOYSA-N 1 0 273.336 2.083 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(OC)c(C#N)c1 ZINC000092628793 180420900 /nfs/dbraw/zinc/42/09/00/180420900.db2.gz JXHCLDPZLQQHNX-INIZCTEOSA-N 1 0 287.407 2.483 10 30 CEEERO CC[C@@H](C#N)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000109455170 186253754 /nfs/dbraw/zinc/25/37/54/186253754.db2.gz SQNMDMCZAUSZJQ-INIZCTEOSA-N 1 0 257.381 2.415 10 30 CEEERO CC[C@H](C#N)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110513892 186300077 /nfs/dbraw/zinc/30/00/77/186300077.db2.gz KUOWGHLZDQYXHX-CQSZACIVSA-N 1 0 288.351 2.015 10 30 CEEERO CN(CC1CCCC1)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000110847581 186328187 /nfs/dbraw/zinc/32/81/87/186328187.db2.gz MXYOWEITIVZFLX-UHFFFAOYSA-N 1 0 288.366 2.398 10 30 CEEERO CCN(c1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000110947214 186335524 /nfs/dbraw/zinc/33/55/24/186335524.db2.gz FPWAUTTZBNOZNF-LBPRGKRZSA-N 1 0 274.324 2.045 10 30 CEEERO C#CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@@H](C)[NH2+]CC ZINC000110960465 186337107 /nfs/dbraw/zinc/33/71/07/186337107.db2.gz GYBBTSZLXKVBPJ-ZIAGYGMSSA-N 1 0 288.391 2.182 10 30 CEEERO CC(C)N[C@@](C)(C#N)CC[N@H+](C)CC1CCOCC1 ZINC000111169308 186365558 /nfs/dbraw/zinc/36/55/58/186365558.db2.gz FUTLWNRCVUTTAF-OAHLLOKOSA-N 1 0 267.417 2.015 10 30 CEEERO C=CCN(CC=C)C[C@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325088 186399271 /nfs/dbraw/zinc/39/92/71/186399271.db2.gz QVRAMWBDPZDVFQ-MRXNPFEDSA-N 1 0 264.413 2.209 10 30 CEEERO COCC[NH2+]C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000111705124 186448191 /nfs/dbraw/zinc/44/81/91/186448191.db2.gz TZHVDNZNBSVYSP-KRWDZBQOSA-N 1 0 287.407 2.149 10 30 CEEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ncc(F)cn1 ZINC000072432152 363135646 /nfs/dbraw/zinc/13/56/46/363135646.db2.gz MEFAKQHNFHZGJU-CQSZACIVSA-N 1 0 295.358 2.052 10 30 CEEERO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131073731 283076468 /nfs/dbraw/zinc/07/64/68/283076468.db2.gz SLPMUCGUFAJXIF-SUHUHFCYSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000261738402 283108917 /nfs/dbraw/zinc/10/89/17/283108917.db2.gz RXZPDEGQSLWFEJ-CQDKDKBSSA-N 1 0 278.359 2.280 10 30 CEEERO N#Cc1ccc(Cl)cc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174683622 283150361 /nfs/dbraw/zinc/15/03/61/283150361.db2.gz CVYZUCNKWXOVMI-CQSZACIVSA-N 1 0 293.798 2.470 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000061362389 126121005 /nfs/dbraw/zinc/12/10/05/126121005.db2.gz GIUCZJYHGZVSCE-PWSUYJOCSA-N 1 0 264.394 2.406 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000150961781 366607472 /nfs/dbraw/zinc/60/74/72/366607472.db2.gz LYGPVHBJPAPUSI-ZBFHGGJFSA-N 1 0 294.439 2.058 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000083551020 363779704 /nfs/dbraw/zinc/77/97/04/363779704.db2.gz PVKFQEWTDCUKCK-IUODEOHRSA-N 1 0 273.355 2.366 10 30 CEEERO N#Cc1c(F)cccc1N1CCC(OCCC[NH3+])CC1 ZINC000094073322 364250398 /nfs/dbraw/zinc/25/03/98/364250398.db2.gz ITLDCXKQRIPGEU-UHFFFAOYSA-N 1 0 277.343 2.032 10 30 CEEERO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CCCN(c2cccnn2)C1 ZINC000120198668 365387575 /nfs/dbraw/zinc/38/75/75/365387575.db2.gz HQKUCZQEHAMNFE-ZDUSSCGKSA-N 1 0 297.362 2.042 10 30 CEEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCSCC#N ZINC000245500064 370829130 /nfs/dbraw/zinc/82/91/30/370829130.db2.gz ZJIGGQAVAGKZSY-MCIONIFRSA-N 1 0 296.436 2.439 10 30 CEEERO COc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000342794533 367539611 /nfs/dbraw/zinc/53/96/11/367539611.db2.gz LMUYOODOQZFVTH-SWLSCSKDSA-N 1 0 260.337 2.356 10 30 CEEERO C[C@@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245724244 370865001 /nfs/dbraw/zinc/86/50/01/370865001.db2.gz INRAJDPFRJSOGC-HOCLYGCPSA-N 1 0 285.391 2.257 10 30 CEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)C(C)C ZINC000245964830 370895150 /nfs/dbraw/zinc/89/51/50/370895150.db2.gz DMASGYUEHLUCGY-OAGGEKHMSA-N 1 0 294.439 2.369 10 30 CEEERO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C12CCOCC2 ZINC000185659148 368838544 /nfs/dbraw/zinc/83/85/44/368838544.db2.gz BWWSSHSRLUBSAL-HUUCEWRRSA-N 1 0 290.363 2.215 10 30 CEEERO C[NH+](C)[C@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000228705177 370411448 /nfs/dbraw/zinc/41/14/48/370411448.db2.gz XNXDLBWDBFSDDO-JTQLQIEISA-N 1 0 294.196 2.461 10 30 CEEERO Fc1ccc(C#CCN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246820128 371015549 /nfs/dbraw/zinc/01/55/49/371015549.db2.gz NSOBHGQOPURJRL-KRWDZBQOSA-N 1 0 272.367 2.347 10 30 CEEERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249128998 371299369 /nfs/dbraw/zinc/29/93/69/371299369.db2.gz DEKCTPHWDGVODO-MLGOLLRUSA-N 1 0 271.364 2.220 10 30 CEEERO C[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@H]1[NH+](C)C ZINC000251876073 371421610 /nfs/dbraw/zinc/42/16/10/371421610.db2.gz UKIZQEXOWXIRTR-XHDPSFHLSA-N 1 0 261.344 2.079 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncccc1C#N ZINC000267303582 372067720 /nfs/dbraw/zinc/06/77/20/372067720.db2.gz VFBCVULCQRRJCI-ZIAGYGMSSA-N 1 0 256.353 2.016 10 30 CEEERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(Cl)c(C#N)s1 ZINC000287862319 376330531 /nfs/dbraw/zinc/33/05/31/376330531.db2.gz MEWVYKACFDRSDG-MRVPVSSYSA-N 1 0 270.789 2.056 10 30 CEEERO O=C(NC[C@@H]1CCc2nccn2C1)c1cnc2ccccn12 ZINC000328619365 376863480 /nfs/dbraw/zinc/86/34/80/376863480.db2.gz FURSBXHUILJKIL-LBPRGKRZSA-N 1 0 295.346 2.098 10 30 CEEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000334828086 207148490 /nfs/dbraw/zinc/14/84/90/207148490.db2.gz UZEUWLXACCXAKY-TZMCWYRMSA-N 1 0 269.348 2.014 10 30 CEEERO C#CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)s1)C1CC1 ZINC000036101324 394494816 /nfs/dbraw/zinc/49/48/16/394494816.db2.gz VMBMNBZDBDTEEY-AWEZNQCLSA-N 1 0 279.405 2.032 10 30 CEEERO Cc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)cc1C#N ZINC000261606046 394603984 /nfs/dbraw/zinc/60/39/84/394603984.db2.gz RJIDOEJIMPSLCR-UFGOTCBOSA-N 1 0 276.771 2.089 10 30 CEEERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000359669639 394769719 /nfs/dbraw/zinc/76/97/19/394769719.db2.gz GCQRTUASIOVTPV-HUUCEWRRSA-N 1 0 271.364 2.170 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000287421739 395041628 /nfs/dbraw/zinc/04/16/28/395041628.db2.gz QGSWPZZJTKNQOV-DTWKUNHWSA-N 1 0 282.800 2.341 10 30 CEEERO Cc1cnn([C@H]2CCC[N@H+](CCCSCC#N)C2)c1 ZINC000173888443 395116897 /nfs/dbraw/zinc/11/68/97/395116897.db2.gz OSGKONLDMPXSMR-AWEZNQCLSA-N 1 0 278.425 2.475 10 30 CEEERO N#Cc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)ccc1F ZINC000398994655 395240691 /nfs/dbraw/zinc/24/06/91/395240691.db2.gz JMVBESIQRNBQRL-CFVMTHIKSA-N 1 0 274.339 2.290 10 30 CEEERO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000193182197 395403615 /nfs/dbraw/zinc/40/36/15/395403615.db2.gz IPZSVEBSNQKYBV-RISCZKNCSA-N 1 0 279.409 2.453 10 30 CEEERO CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000227889312 153355034 /nfs/dbraw/zinc/35/50/34/153355034.db2.gz RKDYOMGVAMSYCU-BBRMVZONSA-N 1 0 276.380 2.386 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131807492 162299318 /nfs/dbraw/zinc/29/93/18/162299318.db2.gz HUIGJIZZUPHHBV-GFCCVEGCSA-N 1 0 262.313 2.396 10 30 CEEERO C[NH+](C)CCCN[C@H](C#N)c1ccccc1Cl ZINC000020173699 171041561 /nfs/dbraw/zinc/04/15/61/171041561.db2.gz QHNIOWKGYFLUFI-CYBMUJFWSA-N 1 0 251.761 2.446 10 30 CEEERO N#CCOc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000020441395 171205180 /nfs/dbraw/zinc/20/51/80/171205180.db2.gz UYBIIXAHIKUCJO-OAHLLOKOSA-N 1 0 257.337 2.095 10 30 CEEERO N#Cc1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000037748574 173671501 /nfs/dbraw/zinc/67/15/01/173671501.db2.gz JSHFOBHTPWHGOD-UHFFFAOYSA-N 1 0 259.353 2.084 10 30 CEEERO N#Cc1c(NC(=O)C[C@@H]2CCC[NH2+]2)sc2c1CCC2 ZINC000042171475 174651406 /nfs/dbraw/zinc/65/14/06/174651406.db2.gz OZKFHGITXKUITP-VIFPVBQESA-N 1 0 275.377 2.189 10 30 CEEERO C[C@H]([NH3+])[C@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376723 175029958 /nfs/dbraw/zinc/02/99/58/175029958.db2.gz DASNODLMSRZMBA-JQWIXIFHSA-N 1 0 286.301 2.075 10 30 CEEERO [NH3+]CC#Cc1ccsc1CSc1ncccn1 ZINC000043690496 175096420 /nfs/dbraw/zinc/09/64/20/175096420.db2.gz TYCMOCKRLOMXQL-UHFFFAOYSA-N 1 0 261.375 2.141 10 30 CEEERO CCCC(C#N)(CCC)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000044811133 175257854 /nfs/dbraw/zinc/25/78/54/175257854.db2.gz HWNUXACZVWWMDH-AWEZNQCLSA-N 1 0 277.412 2.307 10 30 CEEERO CC[N@H+](CC[C@](C)(C#N)NC(C)C)C[C@@H]1CCCO1 ZINC000045182071 175325322 /nfs/dbraw/zinc/32/53/22/175325322.db2.gz ZVQBCPGJBNMKJC-LSDHHAIUSA-N 1 0 267.417 2.158 10 30 CEEERO CCC[NH+]1CCN(CCCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045306470 175355744 /nfs/dbraw/zinc/35/57/44/175355744.db2.gz KEUMTDOBYGBHKG-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO CCC[NH+]1CCN(CCCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045306472 175355864 /nfs/dbraw/zinc/35/58/64/175355864.db2.gz KEUMTDOBYGBHKG-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](C)C1CCOCC1 ZINC000045311817 175356739 /nfs/dbraw/zinc/35/67/39/175356739.db2.gz BMVAEUQJUUERTC-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO CN[C@@](C)(C#N)CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000045313149 175356956 /nfs/dbraw/zinc/35/69/56/175356956.db2.gz NHLDIUXKJISBFR-QGZVFWFLSA-N 1 0 292.471 2.219 10 30 CEEERO N#Cc1cc(NC(=O)c2ccccc2CC[NH3+])ccc1F ZINC000070552927 175981614 /nfs/dbraw/zinc/98/16/14/175981614.db2.gz ROQUBIJQQHDVFQ-UHFFFAOYSA-N 1 0 283.306 2.451 10 30 CEEERO CCC[NH2+][C@H]1CCCN(c2ccc(CC#N)cc2)C1=O ZINC000071041468 176028139 /nfs/dbraw/zinc/02/81/39/176028139.db2.gz NKDRVSBLGDKQND-HNNXBMFYSA-N 1 0 271.364 2.248 10 30 CEEERO CC[NH+](CC)CCN[C@@](C)(C#N)Cc1ccc(OC)cc1 ZINC000071169532 176050311 /nfs/dbraw/zinc/05/03/11/176050311.db2.gz WNIPJZTXOUULOK-QGZVFWFLSA-N 1 0 289.423 2.451 10 30 CEEERO COCCN(CCC#N)[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000071222474 176087969 /nfs/dbraw/zinc/08/79/69/176087969.db2.gz XJWDSYUPCZLLGT-IUODEOHRSA-N 1 0 279.359 2.076 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000662630788 415912697 /nfs/dbraw/zinc/91/26/97/415912697.db2.gz MZSFRXYLCCHWAO-MGPQQGTHSA-N 1 0 250.386 2.189 10 30 CEEERO C[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000078538881 177351930 /nfs/dbraw/zinc/35/19/30/177351930.db2.gz ZQJKNRHPHZIEAI-SWLSCSKDSA-N 1 0 283.375 2.125 10 30 CEEERO CCOCC[N@@H+]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000248882525 261213625 /nfs/dbraw/zinc/21/36/25/261213625.db2.gz PVTHVRAQFFVRIB-QGZVFWFLSA-N 1 0 286.419 2.081 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000034456926 274362659 /nfs/dbraw/zinc/36/26/59/274362659.db2.gz RDQNANLIGIAWKG-SECBINFHSA-N 1 0 269.270 2.375 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(C#N)cc1 ZINC000092630765 276181473 /nfs/dbraw/zinc/18/14/73/276181473.db2.gz SHJUTVBSHSGZGE-HNNXBMFYSA-N 1 0 271.364 2.115 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000085921040 279406520 /nfs/dbraw/zinc/40/65/20/279406520.db2.gz SCIWHJNAWGMLBY-NWDGAFQWSA-N 1 0 281.363 2.065 10 30 CEEERO CC(C)(C)NC(=[NH2+])NCc1nccc2ccccc21 ZINC000170909627 329072061 /nfs/dbraw/zinc/07/20/61/329072061.db2.gz BZPVVHBAICSWQU-UHFFFAOYSA-N 1 0 256.353 2.438 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000174847469 329163964 /nfs/dbraw/zinc/16/39/64/329163964.db2.gz PEDAOROYCILQRG-ZDUSSCGKSA-N 1 0 261.373 2.245 10 30 CEEERO C=C(C)CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000181402649 329232595 /nfs/dbraw/zinc/23/25/95/329232595.db2.gz ADVRWIVGNNDKPR-CYBMUJFWSA-N 1 0 255.406 2.180 10 30 CEEERO C=C(Br)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000227384452 329272279 /nfs/dbraw/zinc/27/22/79/329272279.db2.gz PAFJBGQREHYWIO-RYUDHWBXSA-N 1 0 273.218 2.454 10 30 CEEERO C[C@@H]([NH2+]C[C@H](C)C#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400464390 329708282 /nfs/dbraw/zinc/70/82/82/329708282.db2.gz VQEMPZVOZPOCPL-JHJVBQTASA-N 1 0 281.400 2.381 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000261646989 329974369 /nfs/dbraw/zinc/97/43/69/329974369.db2.gz DSTQCNULMCOIOB-QTZGLNONSA-N 1 0 299.484 2.030 10 30 CEEERO CC1(C)C[C@H]1NC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000261972347 329992981 /nfs/dbraw/zinc/99/29/81/329992981.db2.gz DSLSBMGSIXZJPF-CYBMUJFWSA-N 1 0 275.352 2.373 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCc1cccn1C ZINC000262448752 330013780 /nfs/dbraw/zinc/01/37/80/330013780.db2.gz VQPBYLSZEWOTDA-UHFFFAOYSA-N 1 0 272.352 2.098 10 30 CEEERO CCOc1ccc(CNC2=[NH+]CCN2C)cc1Cl ZINC000262684651 330027022 /nfs/dbraw/zinc/02/70/22/330027022.db2.gz XYAOFTIPAAGUOI-UHFFFAOYSA-N 1 0 267.760 2.130 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@H]2CC23CCOCC3)cc1 ZINC000262801626 330032730 /nfs/dbraw/zinc/03/27/30/330032730.db2.gz MNJVSPKKUUCOBE-GFCCVEGCSA-N 1 0 289.379 2.239 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262836889 330034931 /nfs/dbraw/zinc/03/49/31/330034931.db2.gz SRSMNZYZRDWRNP-CYBMUJFWSA-N 1 0 275.352 2.252 10 30 CEEERO COc1ccc(Cl)cc1[C@H](O)CNC(=[NH2+])NC(C)(C)C ZINC000263092581 330043160 /nfs/dbraw/zinc/04/31/60/330043160.db2.gz JBEFQGKEOINRTI-LLVKDONJSA-N 1 0 299.802 2.085 10 30 CEEERO CN(C)C(NCc1ccccc1)=[NH+][C@H]1C[C@@H]1C(F)F ZINC000263125165 330044776 /nfs/dbraw/zinc/04/47/76/330044776.db2.gz FGSWCVTYSSAPKJ-RYUDHWBXSA-N 1 0 267.323 2.347 10 30 CEEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])N1CCSCC1 ZINC000263207778 330049177 /nfs/dbraw/zinc/04/91/77/330049177.db2.gz YNSHZKDCFTUHDV-DGCLKSJQSA-N 1 0 255.431 2.175 10 30 CEEERO C=CC[C@H](C)[C@H](C)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263527178 330058819 /nfs/dbraw/zinc/05/88/19/330058819.db2.gz UPFSWUMCZVRKDD-FEPKRQSRSA-N 1 0 268.401 2.114 10 30 CEEERO CN(CC[NH2+][C@@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000386745947 336177992 /nfs/dbraw/zinc/17/79/92/336177992.db2.gz ZPOYZFIWYNEOJP-JKSUJKDBSA-N 1 0 257.381 2.400 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615231 519735580 /nfs/dbraw/zinc/73/55/80/519735580.db2.gz YSZIWSDAHVDJFI-BZUAXINKSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000068613296 520031134 /nfs/dbraw/zinc/03/11/34/520031134.db2.gz QWVXOKSVWKAHNY-HRCADAONSA-N 1 0 299.459 2.030 10 30 CEEERO C[C@H]1CCN(c2c(F)cc(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000163998938 518184342 /nfs/dbraw/zinc/18/43/42/518184342.db2.gz VBJBFUUDFYHTIQ-ONGXEEELSA-N 1 0 265.307 2.258 10 30 CEEERO C#CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000062746837 518282546 /nfs/dbraw/zinc/28/25/46/518282546.db2.gz RTEXCZSTYQGIDU-VXGBXAGGSA-N 1 0 292.354 2.013 10 30 CEEERO C#CCNC(=O)[C@@H](C)Oc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728812 518282792 /nfs/dbraw/zinc/28/27/92/518282792.db2.gz YJHXPUYBKGYSFS-CYBMUJFWSA-N 1 0 288.391 2.091 10 30 CEEERO C=CCN(CC=C)CC1(C[NH2+]CC)CCOCC1 ZINC000052181527 518769476 /nfs/dbraw/zinc/76/94/76/518769476.db2.gz MJZNBGOEJYTFGF-UHFFFAOYSA-N 1 0 252.402 2.067 10 30 CEEERO CC(C)C[NH+]1CCN([C@@H](C)C[C@](C)(C#N)NC2CC2)CC1 ZINC000068615066 519727541 /nfs/dbraw/zinc/72/75/41/519727541.db2.gz VQJGSAXFMFVHDS-DOTOQJQBSA-N 1 0 292.471 2.073 10 30 CEEERO CC(C)C[NH2+]Cc1cc2c(cc1O[C@H](C)C#N)OCO2 ZINC000062733967 519747178 /nfs/dbraw/zinc/74/71/78/519747178.db2.gz UDQDIDRCADKYJH-LLVKDONJSA-N 1 0 276.336 2.452 10 30 CEEERO CC(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OCC#N)c1 ZINC000062733446 519747348 /nfs/dbraw/zinc/74/73/48/519747348.db2.gz IQVJLJDQSPLRSN-UHFFFAOYSA-N 1 0 263.297 2.243 10 30 CEEERO CC(C)[C@@H](C)C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000070125980 519789992 /nfs/dbraw/zinc/78/99/92/519789992.db2.gz CGGNPRGTPSFZCJ-ZIAGYGMSSA-N 1 0 272.392 2.466 10 30 CEEERO CCC[NH+]1CCC(Nc2ccc(N)cc2C#N)CC1 ZINC000049554985 519847450 /nfs/dbraw/zinc/84/74/50/519847450.db2.gz GZVJMWOKRIHIPK-UHFFFAOYSA-N 1 0 258.369 2.427 10 30 CEEERO CCC1CCC(NC(=O)c2cncc(C#CC[NH3+])c2)CC1 ZINC000049629644 519856277 /nfs/dbraw/zinc/85/62/77/519856277.db2.gz RBKLLWKEYUBKAK-UHFFFAOYSA-N 1 0 285.391 2.090 10 30 CEEERO CCC[NH2+]C[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000068760803 519923130 /nfs/dbraw/zinc/92/31/30/519923130.db2.gz OFTYIGKLMXTAIZ-HNNXBMFYSA-N 1 0 272.396 2.165 10 30 CEEERO CCC[NH2+]C[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000068760808 519934463 /nfs/dbraw/zinc/93/44/63/519934463.db2.gz OFTYIGKLMXTAIZ-OAHLLOKOSA-N 1 0 272.396 2.165 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615608 520032448 /nfs/dbraw/zinc/03/24/48/520032448.db2.gz DOWYURJAHWOHLH-BRWVUGGUSA-N 1 0 292.471 2.217 10 30 CEEERO CCC[C@@]1(C(=O)Nc2cccc(C#N)c2)CC[NH2+]C1 ZINC000062889170 520944715 /nfs/dbraw/zinc/94/47/15/520944715.db2.gz UPZOPGRHBZJKMA-OAHLLOKOSA-N 1 0 257.337 2.277 10 30 CEEERO CC[NH+]1CCC(N(C)C[C@@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069080095 521561743 /nfs/dbraw/zinc/56/17/43/521561743.db2.gz ZLMXBFXPEFQVJP-QGZVFWFLSA-N 1 0 292.471 2.073 10 30 CEEERO CC[C@@H](C#N)Oc1c(C[NH2+]CCOC)cccc1OC ZINC000062732421 521801968 /nfs/dbraw/zinc/80/19/68/521801968.db2.gz MLCFDJHTZKSRAT-ZDUSSCGKSA-N 1 0 278.352 2.112 10 30 CEEERO CC[C@@H](C#N)Oc1cc(OC)ccc1C[NH2+]CCOC ZINC000062733340 521802043 /nfs/dbraw/zinc/80/20/43/521802043.db2.gz QANJVRPOODYCCW-ZDUSSCGKSA-N 1 0 278.352 2.112 10 30 CEEERO C[NH2+]Cc1cc(OC)ccc1OCc1cccnc1C#N ZINC000061656404 522113295 /nfs/dbraw/zinc/11/32/95/522113295.db2.gz MNWJHZNGIPFUHE-UHFFFAOYSA-N 1 0 283.331 2.260 10 30 CEEERO CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(OC)c(C#CC[NH3+])c1 ZINC000049105850 522294159 /nfs/dbraw/zinc/29/41/59/522294159.db2.gz ZKCVSHSRDGJKBJ-CHWSQXEVSA-N 1 0 288.391 2.170 10 30 CEEERO CC[C@H]([NH3+])Cc1nccn1Cc1cc(C#N)ccc1F ZINC000062803053 522336883 /nfs/dbraw/zinc/33/68/83/522336883.db2.gz CTMQTIZEXPTEQM-ZDUSSCGKSA-N 1 0 272.327 2.222 10 30 CEEERO COc1cc(C[NH2+]CC#Cc2ccccc2)ccn1 ZINC000062070152 522444826 /nfs/dbraw/zinc/44/48/26/522444826.db2.gz PVRXAMFNDXVQKW-UHFFFAOYSA-N 1 0 252.317 2.232 10 30 CEEERO COCC1CC[NH+]([C@H](C)C[C@](C)(C#N)NC2CC2)CC1 ZINC000068616620 522938988 /nfs/dbraw/zinc/93/89/88/522938988.db2.gz ZNXLDMQRQPGBNH-CZUORRHYSA-N 1 0 279.428 2.158 10 30 CEEERO COCCC[N@H+](CCOC)[C@H](C)C[C@@](C)(C#N)NC(C)C ZINC000068612894 523259296 /nfs/dbraw/zinc/25/92/96/523259296.db2.gz OKYGUHQLQKMQKE-CVEARBPZSA-N 1 0 299.459 2.030 10 30 CEEERO C[N@H+](Cc1ccncc1)Cc1cccc(C#CCCO)c1 ZINC000049613174 523463360 /nfs/dbraw/zinc/46/33/60/523463360.db2.gz ZZEUFRYQEZEAGA-UHFFFAOYSA-N 1 0 280.371 2.448 10 30 CEEERO COc1ccc(C#CCCO)cc1C[NH+]1CCCCC1 ZINC000049616738 523510905 /nfs/dbraw/zinc/51/09/05/523510905.db2.gz FJBNZBKFVJFAMI-UHFFFAOYSA-N 1 0 273.376 2.415 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1Cn1nc(C)c(C)c1C ZINC000049610242 523516207 /nfs/dbraw/zinc/51/62/07/523516207.db2.gz JCXLABMTZQBOFT-UHFFFAOYSA-N 1 0 283.375 2.175 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)c1ccc(C)o1 ZINC000049587321 523516470 /nfs/dbraw/zinc/51/64/70/523516470.db2.gz MHDDUSPRLRCTOK-UHFFFAOYSA-N 1 0 284.315 2.159 10 30 CEEERO Cc1ncc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c(C2CC2)n1 ZINC000329852887 534724286 /nfs/dbraw/zinc/72/42/86/534724286.db2.gz VDCBUIIPUXQHBW-OLZOCXBDSA-N 1 0 288.395 2.450 10 30 CEEERO COc1ccc(C[NH+]2CCCCC2)cc1C#CCO ZINC000049616749 524025506 /nfs/dbraw/zinc/02/55/06/524025506.db2.gz AFODNGJGDDWZSI-UHFFFAOYSA-N 1 0 259.349 2.025 10 30 CEEERO C[C@@H]1CCC[N@@H+]1CCOc1cccc(C#CCCO)c1 ZINC000049615181 524260370 /nfs/dbraw/zinc/26/03/70/524260370.db2.gz CFVXECNIZUCJAQ-OAHLLOKOSA-N 1 0 273.376 2.284 10 30 CEEERO C[C@H](C[NH3+])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000054344595 524305493 /nfs/dbraw/zinc/30/54/93/524305493.db2.gz IQNZUSPUEKTGMW-SECBINFHSA-N 1 0 277.393 2.422 10 30 CEEERO C[C@H](C[NH+]1CCCC1)NCc1ccc(C#N)cc1F ZINC000049180280 524317077 /nfs/dbraw/zinc/31/70/77/524317077.db2.gz IWJLYVBPYXZCJN-GFCCVEGCSA-N 1 0 261.344 2.271 10 30 CEEERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000070183060 524671934 /nfs/dbraw/zinc/67/19/34/524671934.db2.gz QPSDEEDCOAIMGZ-ZYHUDNBSSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@]([NH3+])(C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000052881159 525146726 /nfs/dbraw/zinc/14/67/26/525146726.db2.gz JMFMWMZZHLDZFW-MRXNPFEDSA-N 1 0 265.316 2.371 10 30 CEEERO Cc1cc(SCc2ccc(C#CC[NH3+])cc2F)n(C)n1 ZINC000052311595 525437062 /nfs/dbraw/zinc/43/70/62/525437062.db2.gz ZDQYEVOPKAOQCI-UHFFFAOYSA-N 1 0 289.379 2.470 10 30 CEEERO C[C@@]1(C(=O)Nc2cccc(OCCCC#N)c2)CC[NH2+]C1 ZINC000062894206 525812944 /nfs/dbraw/zinc/81/29/44/525812944.db2.gz SWHCYIPICZZVKC-MRXNPFEDSA-N 1 0 287.363 2.307 10 30 CEEERO N#C[C@H](c1cccc2cccnc21)N1CCC[NH2+]CC1 ZINC000069503033 526511456 /nfs/dbraw/zinc/51/14/56/526511456.db2.gz RJKNSEKILQYWAU-OAHLLOKOSA-N 1 0 266.348 2.095 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000070171267 526644582 /nfs/dbraw/zinc/64/45/82/526644582.db2.gz WNBDVZQSVJDBOT-NSHDSACASA-N 1 0 274.324 2.032 10 30 CEEERO N#Cc1cccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000069052665 526700103 /nfs/dbraw/zinc/70/01/03/526700103.db2.gz NMVVWASZAFJBMH-UHFFFAOYSA-N 1 0 277.327 2.456 10 30 CEEERO Cc1occc1C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586941 526801662 /nfs/dbraw/zinc/80/16/62/526801662.db2.gz DJHVGAWQGPHJDH-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO [NH3+]CC#Cc1cccc(NC(=O)CC[C@H]2CCCCO2)c1 ZINC000069399458 527152985 /nfs/dbraw/zinc/15/29/85/527152985.db2.gz XSDFHEHVSLUERA-MRXNPFEDSA-N 1 0 286.375 2.285 10 30 CEEERO Cn1ccnc1SCc1ccc(F)cc1C#CC[NH3+] ZINC000049611275 527449113 /nfs/dbraw/zinc/44/91/13/527449113.db2.gz VQCIGOCOAQGTHF-UHFFFAOYSA-N 1 0 275.352 2.162 10 30 CEEERO CCc1nnc(N2CCC([C@@H](C)[NH3+])CC2)c(C#N)c1CC ZINC000125492823 649924414 /nfs/dbraw/zinc/92/44/14/649924414.db2.gz GFKSXFSGLVUACI-LLVKDONJSA-N 1 0 287.411 2.037 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C\c2ccccc2C#N)C1 ZINC000255686754 625392951 /nfs/dbraw/zinc/39/29/51/625392951.db2.gz LMKRBALSAKHBNS-OVULNCGTSA-N 1 0 297.402 2.416 10 30 CEEERO C[C@H](Nc1nc2c(cc1C#N)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000050164286 623328284 /nfs/dbraw/zinc/32/82/84/623328284.db2.gz PPMNEZJGNMHXFR-WCQYABFASA-N 1 0 270.380 2.242 10 30 CEEERO C[C@H]([NH3+])CN(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000310982547 627335729 /nfs/dbraw/zinc/33/57/29/627335729.db2.gz GEHCYCSHQIJJIS-QMMMGPOBSA-N 1 0 257.259 2.360 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1nc(Cl)c(C#N)s1 ZINC000232736009 629836942 /nfs/dbraw/zinc/83/69/42/629836942.db2.gz ZVWDLRDUWXPUQQ-MRVPVSSYSA-N 1 0 272.805 2.478 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@@H]([C@H](C)[NH3+])C2)n1 ZINC000227191202 639574709 /nfs/dbraw/zinc/57/47/09/639574709.db2.gz DTWOXFMTBAZXIN-QWHCGFSZSA-N 1 0 258.369 2.134 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000229605521 639710020 /nfs/dbraw/zinc/71/00/20/639710020.db2.gz NCLKPBJEKIASKL-BXKDBHETSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000229608388 639710516 /nfs/dbraw/zinc/71/05/16/639710516.db2.gz WXANXYGQXYNBHB-PELKAZGASA-N 1 0 251.280 2.389 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1nc(Cl)c(C#N)s1 ZINC000232698190 639980890 /nfs/dbraw/zinc/98/08/90/639980890.db2.gz ZVWDLRDUWXPUQQ-QMMMGPOBSA-N 1 0 272.805 2.478 10 30 CEEERO C=CCOc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000237847596 641391289 /nfs/dbraw/zinc/39/12/89/641391289.db2.gz FJLVHYRPOIDLGW-AWEZNQCLSA-N 1 0 274.364 2.205 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CCC([NH3+])CC1 ZINC000071386001 641755078 /nfs/dbraw/zinc/75/50/78/641755078.db2.gz QURMUYNRWNPOTJ-UHFFFAOYSA-N 1 0 252.321 2.034 10 30 CEEERO [NH2+]=C(NCC1CCC(C(F)(F)F)CC1)NC1CC1 ZINC000072914355 641992574 /nfs/dbraw/zinc/99/25/74/641992574.db2.gz OUHMBGVFMJSUOA-UHFFFAOYSA-N 1 0 263.307 2.422 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094592267 642441250 /nfs/dbraw/zinc/44/12/50/642441250.db2.gz DYLCSWHUBWLRMM-JQWIXIFHSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127855432 651327532 /nfs/dbraw/zinc/32/75/32/651327532.db2.gz FVZPQYAWEFAXOY-WDEREUQCSA-N 1 0 274.324 2.030 10 30 CEEERO CCC[C@@H](C(=O)NCc1cc(C#N)ccc1F)[NH+](C)C ZINC000121344571 365556511 /nfs/dbraw/zinc/55/65/11/365556511.db2.gz JDGYXUVQAPQMIT-AWEZNQCLSA-N 1 0 277.343 2.044 10 30 CEEERO C=CC[N@@H+]1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096042531 185069866 /nfs/dbraw/zinc/06/98/66/185069866.db2.gz KCUIEOKCTQGIQB-OAGGEKHMSA-N 1 0 274.364 2.016 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124896785 187160102 /nfs/dbraw/zinc/16/01/02/187160102.db2.gz DORXVVVAZZSTRX-NSHDSACASA-N 1 0 262.313 2.396 10 30 CEEERO C[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749538 361928905 /nfs/dbraw/zinc/92/89/05/361928905.db2.gz VYQFRGVGQFCSTJ-IUODEOHRSA-N 1 0 276.380 2.385 10 30 CEEERO C#CCOc1ccc(Cl)cc1C[NH2+][C@H](CC)CO ZINC000045945672 362171016 /nfs/dbraw/zinc/17/10/16/362171016.db2.gz UJVXVMDNQNQRKJ-CYBMUJFWSA-N 1 0 267.756 2.213 10 30 CEEERO C=CCOc1cccc(CN2CCO[C@H](C[NH+](C)C)C2)c1 ZINC000128139128 187353933 /nfs/dbraw/zinc/35/39/33/187353933.db2.gz CLCLMVCRTVJUPB-QGZVFWFLSA-N 1 0 290.407 2.014 10 30 CEEERO C[C@@H](C#N)Oc1ccc(Br)c(C[NH3+])c1 ZINC000127964250 344332828 /nfs/dbraw/zinc/33/28/28/344332828.db2.gz WHZNBEKJYBEGTC-ZETCQYMHSA-N 1 0 255.115 2.199 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000156547832 344442658 /nfs/dbraw/zinc/44/26/58/344442658.db2.gz PVEAUWZQUJHITD-ZANVPECISA-N 1 0 299.296 2.129 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000156557692 344442681 /nfs/dbraw/zinc/44/26/81/344442681.db2.gz QZEIOLBCBVFPTF-NOZJJQNGSA-N 1 0 299.296 2.129 10 30 CEEERO C#CC(C)(C)[NH2+]Cc1cccc(Br)n1 ZINC000158791051 344452652 /nfs/dbraw/zinc/45/26/52/344452652.db2.gz CIQDHBWWVOQQRW-UHFFFAOYSA-N 1 0 253.143 2.346 10 30 CEEERO C#CCOc1c(C)cc(Br)cc1C[NH3+] ZINC000159308483 344454646 /nfs/dbraw/zinc/45/46/46/344454646.db2.gz UWJIWWFIHMJLGB-UHFFFAOYSA-N 1 0 254.127 2.228 10 30 CEEERO N#Cc1ccc(-c2cccc3c2O[C@H](C[NH3+])C3)cc1 ZINC000168294022 344480250 /nfs/dbraw/zinc/48/02/50/344480250.db2.gz DXMZMQBDRIAXQH-AWEZNQCLSA-N 1 0 250.301 2.487 10 30 CEEERO C#CC[C@@H]([NH3+])c1cccc(I)c1 ZINC000168565407 344480585 /nfs/dbraw/zinc/48/05/85/344480585.db2.gz ZELAPOMVBTYVSO-SNVBAGLBSA-N 1 0 271.101 2.314 10 30 CEEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccn1 ZINC000253092755 344642720 /nfs/dbraw/zinc/64/27/20/344642720.db2.gz LKOXVIRYCKWPPX-ZACQAIPSSA-N 1 0 285.391 2.469 10 30 CEEERO C#CCNC(=O)[C@H](C)Sc1cccc([C@@H](C)[NH2+]C)c1 ZINC000084123920 178797738 /nfs/dbraw/zinc/79/77/38/178797738.db2.gz TUUIRCUGCGAYNS-NEPJUHHUSA-N 1 0 276.405 2.197 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NCC1([NH3+])CCCC1 ZINC000594691962 345672667 /nfs/dbraw/zinc/67/26/67/345672667.db2.gz DPFHEXPVRJIMMA-UHFFFAOYSA-N 1 0 260.297 2.150 10 30 CEEERO CN(CC(C)(C)[NH3+])c1nc(C(F)(F)F)ccc1C#N ZINC000594693753 345673034 /nfs/dbraw/zinc/67/30/34/345673034.db2.gz SWAVQNIZEKDZEE-UHFFFAOYSA-N 1 0 272.274 2.146 10 30 CEEERO CN(CC(C)(C)[NH3+])c1nc2c(cc1C#N)CCCC2 ZINC000594692858 345673235 /nfs/dbraw/zinc/67/32/35/345673235.db2.gz DCGVOTNPFAFXAV-UHFFFAOYSA-N 1 0 258.369 2.006 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085369801 179039754 /nfs/dbraw/zinc/03/97/54/179039754.db2.gz JOEABTKQFRETRJ-LSDHHAIUSA-N 1 0 271.364 2.056 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000600951530 346715128 /nfs/dbraw/zinc/71/51/28/346715128.db2.gz MBUOCKBQMJDDGN-WDEREUQCSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CC[C@H](Nc2ncc(Br)cc2C#N)C[NH2+]1 ZINC000600955489 346716946 /nfs/dbraw/zinc/71/69/46/346716946.db2.gz NLVRITFKOKNLHV-KWQFWETISA-N 1 0 295.184 2.268 10 30 CEEERO C[C@H]1CC[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000600955842 346716957 /nfs/dbraw/zinc/71/69/57/346716957.db2.gz SEKNOZRHHIUDGC-CABZTGNLSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@@H]1C[C@@H]([NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000600962820 346720472 /nfs/dbraw/zinc/72/04/72/346720472.db2.gz NDQFABYJTMSPBU-ZYHUDNBSSA-N 1 0 252.321 2.032 10 30 CEEERO CCOC(=O)C1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000336814037 365855288 /nfs/dbraw/zinc/85/52/88/365855288.db2.gz WESOTCZVKKSBKZ-YIOUJQMASA-N 1 0 264.369 2.390 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000336818703 365862907 /nfs/dbraw/zinc/86/29/07/365862907.db2.gz WPPVSIFSFBVWRV-JTQLQIEISA-N 1 0 262.313 2.396 10 30 CEEERO N#CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000085979815 179209266 /nfs/dbraw/zinc/20/92/66/179209266.db2.gz VOJIOKHKTRDQFP-ZBFHGGJFSA-N 1 0 274.364 2.230 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+]CCn2cccn2)C1 ZINC000086037492 179221195 /nfs/dbraw/zinc/22/11/95/179221195.db2.gz TWJANZBQORYDOB-UHFFFAOYSA-N 1 0 266.348 2.097 10 30 CEEERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1cccc(C#N)c1 ZINC000086446695 179295570 /nfs/dbraw/zinc/29/55/70/179295570.db2.gz UKAIUXQPWIMYTO-LSDHHAIUSA-N 1 0 271.364 2.161 10 30 CEEERO CC[NH+](CC)CCN[C@H](C#N)c1ccc(OC)c(F)c1 ZINC000086992558 179375232 /nfs/dbraw/zinc/37/52/32/179375232.db2.gz IQJJNDGZYLYVCJ-CQSZACIVSA-N 1 0 279.359 2.330 10 30 CEEERO N#Cc1ccc([C@@H](O)C[NH2+]CC2(O)CCCCCC2)cc1 ZINC000087089504 179393408 /nfs/dbraw/zinc/39/34/08/179393408.db2.gz QDJDCCNNYLTOKT-INIZCTEOSA-N 1 0 288.391 2.267 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H](C[NH3+])C(C)C ZINC000087526327 179441024 /nfs/dbraw/zinc/44/10/24/179441024.db2.gz BSXAHXVQFFAIAC-CQSZACIVSA-N 1 0 291.370 2.277 10 30 CEEERO C=CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089146895 179723510 /nfs/dbraw/zinc/72/35/10/179723510.db2.gz KUPFLEFPSHOJNS-RYUDHWBXSA-N 1 0 254.374 2.455 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089393690 179779494 /nfs/dbraw/zinc/77/94/94/179779494.db2.gz NSWOPNLZGWEVBY-JKSUJKDBSA-N 1 0 285.391 2.304 10 30 CEEERO C[NH+](C)[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068796398 362947159 /nfs/dbraw/zinc/94/71/59/362947159.db2.gz XDNMMERRJMDUSJ-ZDUSSCGKSA-N 1 0 266.348 2.247 10 30 CEEERO CC(C)[NH2+]Cc1ccn(Cc2cccnc2C#N)c1 ZINC000091003788 180083995 /nfs/dbraw/zinc/08/39/95/180083995.db2.gz FZIDBRQWSLAGLZ-UHFFFAOYSA-N 1 0 254.337 2.301 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091449625 180158009 /nfs/dbraw/zinc/15/80/09/180158009.db2.gz DKFTTWJPQUOTJG-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091449623 180158049 /nfs/dbraw/zinc/15/80/49/180158049.db2.gz DKFTTWJPQUOTJG-HOTGVXAUSA-N 1 0 280.460 2.074 10 30 CEEERO CSC1(C#N)CC[NH+]([C@H]2CCCCC[C@H]2O)CC1 ZINC000091471119 180164749 /nfs/dbraw/zinc/16/47/49/180164749.db2.gz OAHYJWLFMYCQMH-QWHCGFSZSA-N 1 0 268.426 2.401 10 30 CEEERO CSC1(C#N)CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000091477386 180166233 /nfs/dbraw/zinc/16/62/33/180166233.db2.gz YVLSVDCQWHCIJL-LBPRGKRZSA-N 1 0 254.399 2.277 10 30 CEEERO C#CCC[C@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646297 180215147 /nfs/dbraw/zinc/21/51/47/180215147.db2.gz XSHRCLOBVILXCP-HNNXBMFYSA-N 1 0 264.413 2.023 10 30 CEEERO CC[NH2+][C@H](C)c1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091804962 180259751 /nfs/dbraw/zinc/25/97/51/180259751.db2.gz YGOFNJAQIDEGLH-GFCCVEGCSA-N 1 0 254.337 2.474 10 30 CEEERO N#Cc1cc(Cn2ccc([C@@H]([NH3+])C3CC3)c2)ccn1 ZINC000091834934 180266595 /nfs/dbraw/zinc/26/65/95/180266595.db2.gz TZZSFBHMKDCQMI-HNNXBMFYSA-N 1 0 252.321 2.213 10 30 CEEERO Cc1ccc(NC(=O)N2CCCCC2)cc1C#CC[NH3+] ZINC000091969696 180295020 /nfs/dbraw/zinc/29/50/20/180295020.db2.gz VSUVDDUXHZITTB-UHFFFAOYSA-N 1 0 271.364 2.323 10 30 CEEERO N#C[C@@]1([C@]2(O)CC[N@@H+](C3CC3)C2)CCCc2ccccc21 ZINC000091878846 180278608 /nfs/dbraw/zinc/27/86/08/180278608.db2.gz LNEVBSZVCBXVQM-ROUUACIJSA-N 1 0 282.387 2.383 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1NC(=O)N1CCCCC1 ZINC000091969679 180295057 /nfs/dbraw/zinc/29/50/57/180295057.db2.gz JOXOUOWMHYCJDP-UHFFFAOYSA-N 1 0 275.327 2.154 10 30 CEEERO C[C@H]1C[N@H+](CCOc2cccc(C#CCCO)c2)C[C@H]1C ZINC000092087043 180321174 /nfs/dbraw/zinc/32/11/74/180321174.db2.gz ZVLICDNHXVSLHP-IYBDPMFKSA-N 1 0 287.403 2.387 10 30 CEEERO C[C@H]1C[N@H+](Cc2ccc(C#CCO)cc2F)C[C@H]1C ZINC000092087046 180321486 /nfs/dbraw/zinc/32/14/86/180321486.db2.gz YNPXASZFRULLKV-BETUJISGSA-N 1 0 261.340 2.257 10 30 CEEERO Cc1nn(-c2ccc(C#N)cc2)c(C)c1C[C@@H](C)[NH3+] ZINC000092319790 180361997 /nfs/dbraw/zinc/36/19/97/180361997.db2.gz YHPGPMHXOLONGN-SNVBAGLBSA-N 1 0 254.337 2.251 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCc2sccc2[C@H]1CC ZINC000106035681 186099472 /nfs/dbraw/zinc/09/94/72/186099472.db2.gz JQRXYZVTTKBAAS-GFCCVEGCSA-N 1 0 264.394 2.360 10 30 CEEERO N#Cc1ccc(OCc2cc(N)cc[nH+]2)c([N+](=O)[O-])c1 ZINC000092420562 180382036 /nfs/dbraw/zinc/38/20/36/180382036.db2.gz KNDBNTOHRUCTHT-UHFFFAOYSA-N 1 0 270.248 2.023 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(-n2cccc2)c1 ZINC000092474269 180393849 /nfs/dbraw/zinc/39/38/49/180393849.db2.gz HWXDOQDIOCSCPW-UHFFFAOYSA-N 1 0 255.321 2.191 10 30 CEEERO C[C@H]1CCCN(C(=O)c2cccc(C#CC[NH3+])c2)CC1 ZINC000110817760 186327121 /nfs/dbraw/zinc/32/71/21/186327121.db2.gz BJMOYPLHFLSQOV-AWEZNQCLSA-N 1 0 270.376 2.259 10 30 CEEERO CC[N@@H+]1CCN(Cc2ccc(C#CCCO)s2)C[C@@H]1C ZINC000110734517 186316883 /nfs/dbraw/zinc/31/68/83/186316883.db2.gz WNVZDZOMLSZUCC-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO C[N@@H+](Cc1cc(C#CCCO)cs1)C[C@@H]1CCCOC1 ZINC000111168244 186364521 /nfs/dbraw/zinc/36/45/21/186364521.db2.gz KEDMBAYUXCVQFH-HNNXBMFYSA-N 1 0 293.432 2.340 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](C)CC1CCOCC1 ZINC000111169292 186364981 /nfs/dbraw/zinc/36/49/81/186364981.db2.gz XBXZENRFXRBKGM-HNNXBMFYSA-N 1 0 267.417 2.017 10 30 CEEERO C=CCN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000111245054 186375603 /nfs/dbraw/zinc/37/56/03/186375603.db2.gz RRUWWGLELLYXDC-CYBMUJFWSA-N 1 0 290.329 2.486 10 30 CEEERO Cn1cc([C@@H]2CCCN2Cc2ccc(C#N)o2)cn1 ZINC000131865549 366094360 /nfs/dbraw/zinc/09/43/60/366094360.db2.gz QLEWPIZEAIGQBV-AWEZNQCLSA-N 1 0 256.309 2.222 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](C[NH3+])C1 ZINC000050249541 283092466 /nfs/dbraw/zinc/09/24/66/283092466.db2.gz RNAVNAGBKRBEJW-VIFPVBQESA-N 1 0 269.270 2.362 10 30 CEEERO C=C(Cl)CC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685958857 540657789 /nfs/dbraw/zinc/65/77/89/540657789.db2.gz CXHJRTXVTWGADI-ZDUSSCGKSA-N 1 0 266.772 2.157 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc(C#N)cs1 ZINC000177211598 189036775 /nfs/dbraw/zinc/03/67/75/189036775.db2.gz SAQPDYWLCMRIRK-LBPRGKRZSA-N 1 0 277.393 2.176 10 30 CEEERO C[C@@H]1C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180169270 189240488 /nfs/dbraw/zinc/24/04/88/189240488.db2.gz CWOLTFIHSHONAB-IAQYHMDHSA-N 1 0 266.348 2.457 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000095081769 364334242 /nfs/dbraw/zinc/33/42/42/364334242.db2.gz XXEHYTNLSRCDPV-JTQLQIEISA-N 1 0 297.196 2.402 10 30 CEEERO C=CC[N@@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000105874548 364703251 /nfs/dbraw/zinc/70/32/51/364703251.db2.gz ODNKSGRGACYCSW-CYBMUJFWSA-N 1 0 266.410 2.239 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(C#N)cc1 ZINC000113233356 364879261 /nfs/dbraw/zinc/87/92/61/364879261.db2.gz NTJNDKAUAJKDBB-WMLDXEAASA-N 1 0 297.402 2.186 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)cn1 ZINC000116323996 365051475 /nfs/dbraw/zinc/05/14/75/365051475.db2.gz FRURUMRIGHHODO-OAHLLOKOSA-N 1 0 266.348 2.281 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000638873533 370811671 /nfs/dbraw/zinc/81/16/71/370811671.db2.gz BKGDTHGPGPCNHI-QWHCGFSZSA-N 1 0 252.402 2.470 10 30 CEEERO C=CCC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)C1CC1 ZINC000119994335 365357708 /nfs/dbraw/zinc/35/77/08/365357708.db2.gz NXJQXARQAXXUMO-UKRRQHHQSA-N 1 0 252.402 2.042 10 30 CEEERO N#Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1F ZINC000171893933 367635085 /nfs/dbraw/zinc/63/50/85/367635085.db2.gz NJUNDFLBAUAVAP-ZDUSSCGKSA-N 1 0 288.326 2.009 10 30 CEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@H](C)O1)C(C)C ZINC000245964823 370894437 /nfs/dbraw/zinc/89/44/37/370894437.db2.gz DMASGYUEHLUCGY-ARFHVFGLSA-N 1 0 294.439 2.369 10 30 CEEERO CCCCOC[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000193243952 369909724 /nfs/dbraw/zinc/90/97/24/369909724.db2.gz VPAIVNIJFONMSP-MRXNPFEDSA-N 1 0 276.380 2.168 10 30 CEEERO C[NH2+]C[C@@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000214364997 370172164 /nfs/dbraw/zinc/17/21/64/370172164.db2.gz LOAQCSDADMKVMH-NSHDSACASA-N 1 0 294.196 2.366 10 30 CEEERO C=CCOCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000247034314 371053020 /nfs/dbraw/zinc/05/30/20/371053020.db2.gz UQQATIUVNCBMSK-GJZGRUSLSA-N 1 0 280.412 2.054 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nccc(C#N)c1Cl ZINC000235311029 189826308 /nfs/dbraw/zinc/82/63/08/189826308.db2.gz LUUGOSGYKZKVJI-WCBMZHEXSA-N 1 0 250.733 2.159 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000336836606 213741063 /nfs/dbraw/zinc/74/10/63/213741063.db2.gz XCABPEAYZLUJEK-LBPRGKRZSA-N 1 0 268.364 2.458 10 30 CEEERO N#Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)ccn1 ZINC000261648343 371692194 /nfs/dbraw/zinc/69/21/94/371692194.db2.gz DCGOULSAKSUTRZ-INIZCTEOSA-N 1 0 264.332 2.252 10 30 CEEERO C[C@H](C#N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309712552 376603202 /nfs/dbraw/zinc/60/32/02/376603202.db2.gz KOKNQQUKZQQLGQ-MXASKKJJSA-N 1 0 297.402 2.173 10 30 CEEERO C[C@@H](C[NH3+])CNc1ccc(C#N)cc1Br ZINC000308996999 376588417 /nfs/dbraw/zinc/58/84/17/376588417.db2.gz QADMSQWGPBVDDD-QMMMGPOBSA-N 1 0 268.158 2.327 10 30 CEEERO C[C@H]([NH2+]CCCC(=O)NC1CC1)c1ccc(C#N)cc1 ZINC000092987539 184641373 /nfs/dbraw/zinc/64/13/73/184641373.db2.gz YTDMEVAAACZASX-LBPRGKRZSA-N 1 0 271.364 2.268 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@]12CCCc1ccc(OC)cc12 ZINC000093375396 184667957 /nfs/dbraw/zinc/66/79/57/184667957.db2.gz SEENUKLCOHONHF-INIZCTEOSA-N 1 0 271.364 2.043 10 30 CEEERO C[C@H]1CCCN(C[C@@H](C#N)c2ccccc2)[C@@H]1C[NH3+] ZINC000080787373 177706663 /nfs/dbraw/zinc/70/66/63/177706663.db2.gz IFMGIMOAXTZARQ-NUEKZKHPSA-N 1 0 257.381 2.353 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)c(N)c1 ZINC000094591195 184822456 /nfs/dbraw/zinc/82/24/56/184822456.db2.gz BVFCRWPNDGDTQW-CQSZACIVSA-N 1 0 258.369 2.061 10 30 CEEERO CC[C@@H](CCO)C[NH2+]Cc1cccc(OCC#N)c1 ZINC000094948377 184902042 /nfs/dbraw/zinc/90/20/42/184902042.db2.gz UFJZBKCUWHDTSH-ZDUSSCGKSA-N 1 0 262.353 2.087 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000086115345 135038517 /nfs/dbraw/zinc/03/85/17/135038517.db2.gz BFTTZSFFKDESMK-CYBMUJFWSA-N 1 0 289.766 2.459 10 30 CEEERO C=CCOc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000237909334 394493828 /nfs/dbraw/zinc/49/38/28/394493828.db2.gz FMPSRGJJXGGHDB-HIFRSBDPSA-N 1 0 288.391 2.385 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261579665 394603559 /nfs/dbraw/zinc/60/35/59/394603559.db2.gz POLAZZKVRVLWBK-MFKMUULPSA-N 1 0 261.756 2.400 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cccc(C#N)n1 ZINC000094447261 394671294 /nfs/dbraw/zinc/67/12/94/394671294.db2.gz XVRMQJTYZNZOPW-GXTWGEPZSA-N 1 0 256.353 2.016 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124877649 394839975 /nfs/dbraw/zinc/83/99/75/394839975.db2.gz NOISOLDLLKGBDA-PWSUYJOCSA-N 1 0 274.324 2.030 10 30 CEEERO Fc1ccc(C#CCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000125280610 394842123 /nfs/dbraw/zinc/84/21/23/394842123.db2.gz NSOBHGQOPURJRL-QGZVFWFLSA-N 1 0 272.367 2.347 10 30 CEEERO Cn1nccc1C1CC[NH+](CCCSCC#N)CC1 ZINC000173877195 395116733 /nfs/dbraw/zinc/11/67/33/395116733.db2.gz CATAUKCZOXRTJR-UHFFFAOYSA-N 1 0 278.425 2.246 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182560775 395245166 /nfs/dbraw/zinc/24/51/66/395245166.db2.gz KRZVCQMOGCEUDM-VXGBXAGGSA-N 1 0 279.409 2.407 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094593347 400245564 /nfs/dbraw/zinc/24/55/64/400245564.db2.gz FURZVBKWKXNRDP-SMDDNHRTSA-N 1 0 286.335 2.139 10 30 CEEERO N#C[C@H](c1cc(Br)ccc1F)N1CC[NH2+]CC1 ZINC000019274024 170768601 /nfs/dbraw/zinc/76/86/01/170768601.db2.gz ICIAHVLUACPCKG-GFCCVEGCSA-N 1 0 298.159 2.058 10 30 CEEERO CCC[NH+]1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000019482510 170810368 /nfs/dbraw/zinc/81/03/68/170810368.db2.gz YSBOPJCRGVCIIG-UHFFFAOYSA-N 1 0 261.344 2.225 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000662857485 414776897 /nfs/dbraw/zinc/77/68/97/414776897.db2.gz MQUAXDYVVMWTBG-RDBSUJKOSA-N 1 0 250.386 2.176 10 30 CEEERO C=CCC1(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCCC1 ZINC000662889293 414789636 /nfs/dbraw/zinc/78/96/36/414789636.db2.gz VWCRQGFAEMETBK-OLZOCXBDSA-N 1 0 250.386 2.367 10 30 CEEERO CCN(CCC#N)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000042454110 174746453 /nfs/dbraw/zinc/74/64/53/174746453.db2.gz UNSZJGDDHPOUOY-NSHDSACASA-N 1 0 260.341 2.474 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](Oc1ccc(CC#N)cc1)c1cnn(C)c1 ZINC000043233425 174986100 /nfs/dbraw/zinc/98/61/00/174986100.db2.gz PDFYQAPGSROBMV-CVEARBPZSA-N 1 0 284.363 2.344 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1sccc1C)N(CC#N)CC#N ZINC000043247564 174991610 /nfs/dbraw/zinc/99/16/10/174991610.db2.gz PLPIPMCHPDTOEL-NWDGAFQWSA-N 1 0 262.382 2.184 10 30 CEEERO CC(C)N(CCC#N)Cc1ccc(C#CC[NH3+])s1 ZINC000043684175 175093047 /nfs/dbraw/zinc/09/30/47/175093047.db2.gz JIEKCVXBNYNWHZ-UHFFFAOYSA-N 1 0 261.394 2.182 10 30 CEEERO CC(C)c1nccn1Cc1sccc1C#CC[NH3+] ZINC000043684368 175093144 /nfs/dbraw/zinc/09/31/44/175093144.db2.gz IPEJCOSARJSQPH-UHFFFAOYSA-N 1 0 259.378 2.427 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2ncccn2)s1 ZINC000043690494 175096445 /nfs/dbraw/zinc/09/64/45/175096445.db2.gz YLKGKBSTGYRKKJ-UHFFFAOYSA-N 1 0 261.375 2.141 10 30 CEEERO C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000044767399 175249878 /nfs/dbraw/zinc/24/98/78/175249878.db2.gz QVHRBMYKAHFMKO-CYBMUJFWSA-N 1 0 263.385 2.061 10 30 CEEERO CCCN[C@](C)(C#N)CCN(CC[NH+](C)C)CC(C)C ZINC000045181789 175324939 /nfs/dbraw/zinc/32/49/39/175324939.db2.gz QKZBZFDNJYWAOH-INIZCTEOSA-N 1 0 282.476 2.178 10 30 CEEERO CCCN[C@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000045182847 175325516 /nfs/dbraw/zinc/32/55/16/175325516.db2.gz CBJJPKUZHBYUHD-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045307101 175355558 /nfs/dbraw/zinc/35/55/58/175355558.db2.gz RBNOWZXAEPYKPO-QLFBSQMISA-N 1 0 267.417 2.158 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C ZINC000045310452 175356491 /nfs/dbraw/zinc/35/64/91/175356491.db2.gz IRDBKLZGGFJKFK-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC ZINC000045314650 175357137 /nfs/dbraw/zinc/35/71/37/175357137.db2.gz XTZUTUYLAVAMTF-GJZGRUSLSA-N 1 0 269.433 2.405 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C ZINC000045317540 175357855 /nfs/dbraw/zinc/35/78/55/175357855.db2.gz JMJDISCYICTKDI-OAHLLOKOSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[N@H+](CC)CCOC ZINC000045316919 175358028 /nfs/dbraw/zinc/35/80/28/175358028.db2.gz JCXJCFPJEUOKGW-HNNXBMFYSA-N 1 0 269.433 2.407 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](CCOC)[C@@H](C)COC ZINC000045318898 175359015 /nfs/dbraw/zinc/35/90/15/175359015.db2.gz XTWJRVHXPHREPT-HOTGVXAUSA-N 1 0 299.459 2.032 10 30 CEEERO CCCO[C@H]1CCC[N@H+](CCC[C@@](C)(C#N)NC)C1 ZINC000045320330 175359185 /nfs/dbraw/zinc/35/91/85/175359185.db2.gz ORSWYRQDCWMWGM-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000045318237 175359315 /nfs/dbraw/zinc/35/93/15/175359315.db2.gz ALSCQCQKAUSRAB-ILXRZTDVSA-N 1 0 267.417 2.158 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000659330094 415521434 /nfs/dbraw/zinc/52/14/34/415521434.db2.gz UQPNLXOGTNNKRD-HZSPNIEDSA-N 1 0 250.386 2.237 10 30 CEEERO C[NH2+][C@H](C)c1c(F)cccc1N(CCC#N)CCOC ZINC000071226110 176089896 /nfs/dbraw/zinc/08/98/96/176089896.db2.gz BBPPRAGUHDXYQW-GFCCVEGCSA-N 1 0 279.359 2.473 10 30 CEEERO CCCN(CCOc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071331416 176124906 /nfs/dbraw/zinc/12/49/06/176124906.db2.gz WEQMHVQCWRRDFB-HNNXBMFYSA-N 1 0 273.380 2.011 10 30 CEEERO Cc1ccncc1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000071414778 176159992 /nfs/dbraw/zinc/15/99/92/176159992.db2.gz VMMJCVUJMHMGBY-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[NH+](C)CCCCN1C(=O)c2ccccc2[C@H]1C#N ZINC000071677970 176243245 /nfs/dbraw/zinc/24/32/45/176243245.db2.gz JKGZSCQTMLDFKV-CQSZACIVSA-N 1 0 257.337 2.049 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662631080 415913481 /nfs/dbraw/zinc/91/34/81/415913481.db2.gz PCIIHVHZTRTXNQ-KGLIPLIRSA-N 1 0 250.386 2.191 10 30 CEEERO CCC[C@H](CC[NH3+])CCC(=O)N(C)C[C@H](C)C#N ZINC000079238734 177453780 /nfs/dbraw/zinc/45/37/80/177453780.db2.gz WGRPSXOOJUKXSO-OLZOCXBDSA-N 1 0 253.390 2.150 10 30 CEEERO C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)[C@@H](C[NH3+])C1 ZINC000235332216 287601251 /nfs/dbraw/zinc/60/12/51/287601251.db2.gz ZHSUIOCBNALSEK-MWLCHTKSSA-N 1 0 265.307 2.400 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCOC1)N1CCS[C@@H](C(C)C)C1 ZINC000153764626 260722122 /nfs/dbraw/zinc/72/21/22/260722122.db2.gz ZOILCOWWPKUGLV-UONOGXRCSA-N 1 0 299.484 2.062 10 30 CEEERO CC[C@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1C[C@@H](C)O ZINC000174849183 261199604 /nfs/dbraw/zinc/19/96/04/261199604.db2.gz PMEGMHXSKFXABT-CABCVRRESA-N 1 0 281.444 2.093 10 30 CEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000128058825 264273729 /nfs/dbraw/zinc/27/37/29/264273729.db2.gz ZXXGEIMKBSPAGM-LSDHHAIUSA-N 1 0 263.385 2.156 10 30 CEEERO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398989764 270364721 /nfs/dbraw/zinc/36/47/21/270364721.db2.gz HAIKQEVUXTTWHB-JGGQBBKZSA-N 1 0 274.339 2.290 10 30 CEEERO C[NH2+]CCC1CCN(c2cc(C)ncc2C#N)CC1 ZINC000399028306 270366041 /nfs/dbraw/zinc/36/60/41/270366041.db2.gz KPQUERLPZRIYPZ-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000287421744 274374505 /nfs/dbraw/zinc/37/45/05/274374505.db2.gz QGSWPZZJTKNQOV-RKDXNWHRSA-N 1 0 282.800 2.341 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1nc(C(F)(F)F)ccc1C#N ZINC000216213401 274385487 /nfs/dbraw/zinc/38/54/87/274385487.db2.gz FZWSSLIKYRVBMK-BDAKNGLRSA-N 1 0 284.285 2.146 10 30 CEEERO C[C@]1(C[NH3+])CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000261717317 274650314 /nfs/dbraw/zinc/65/03/14/274650314.db2.gz JYFUEKGBDUYGRX-MRXNPFEDSA-N 1 0 266.348 2.282 10 30 CEEERO C[NH2+][C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000053204693 277300420 /nfs/dbraw/zinc/30/04/20/277300420.db2.gz LQWACWXWUYQXHB-AWEZNQCLSA-N 1 0 270.380 2.020 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000127269538 278314176 /nfs/dbraw/zinc/31/41/76/278314176.db2.gz GNSZEJIFJGETRL-PSASIEDQSA-N 1 0 251.280 2.010 10 30 CEEERO Cc1nc(N2CCC[C@@H](C)[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261658532 281924475 /nfs/dbraw/zinc/92/44/75/281924475.db2.gz YVRSBZVSUKKZSO-NOZJJQNGSA-N 1 0 278.787 2.479 10 30 CEEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCC[C@@H]1C#N ZINC000262348430 328149883 /nfs/dbraw/zinc/14/98/83/328149883.db2.gz DRDQJWBIWMOYMT-VXGBXAGGSA-N 1 0 291.424 2.117 10 30 CEEERO C[NH+]=C(NCC1CCOCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000179131638 329205540 /nfs/dbraw/zinc/20/55/40/329205540.db2.gz ZXUGQZNVGPATTL-GASCZTMLSA-N 1 0 279.428 2.110 10 30 CEEERO C[C@@H]1C[C@H]1NC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262006237 329996641 /nfs/dbraw/zinc/99/66/41/329996641.db2.gz RNPHSGLJHAXUNM-BXUZGUMPSA-N 1 0 292.814 2.185 10 30 CEEERO Cc1cnn(CCNC(=[NH2+])Nc2cccc3c2CCCC3)c1 ZINC000262506252 330018555 /nfs/dbraw/zinc/01/85/55/330018555.db2.gz BIMQNIWBRNFUAZ-UHFFFAOYSA-N 1 0 297.406 2.497 10 30 CEEERO C[C@H]1C[NH+]=C(NCC2CCC(C(F)(F)F)CC2)N1 ZINC000262652067 330024659 /nfs/dbraw/zinc/02/46/59/330024659.db2.gz KPZNXGMCIFXOQC-IDKOKCKLSA-N 1 0 263.307 2.292 10 30 CEEERO CN1CC[NH+]=C1N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000262673946 330026150 /nfs/dbraw/zinc/02/61/50/330026150.db2.gz SHTCPXZQQTWXNM-NWDGAFQWSA-N 1 0 281.306 2.035 10 30 CEEERO Cc1ccc(CNC2=[NH+]CCN2C)c(OC(C)C)c1 ZINC000262683827 330026858 /nfs/dbraw/zinc/02/68/58/330026858.db2.gz XQBRDHSRVFCLLZ-UHFFFAOYSA-N 1 0 261.369 2.173 10 30 CEEERO COc1ccc(OC)c(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)c1 ZINC000263120619 330044545 /nfs/dbraw/zinc/04/45/45/330044545.db2.gz DADVROLRMVIVCE-IUCAKERBSA-N 1 0 285.294 2.084 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@H](C)C(C)C ZINC000263236058 330050158 /nfs/dbraw/zinc/05/01/58/330050158.db2.gz JPIZRMIGKZHWHK-OLZOCXBDSA-N 1 0 255.406 2.155 10 30 CEEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(F)c(F)c1 ZINC000424068340 330219525 /nfs/dbraw/zinc/21/95/25/330219525.db2.gz ROEXSTPLMQHUDU-RNCFNFMXSA-N 1 0 281.306 2.163 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611474 519735850 /nfs/dbraw/zinc/73/58/50/519735850.db2.gz QTEMECFHDVNLEN-GOEBONIOSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611667 519735870 /nfs/dbraw/zinc/73/58/70/519735870.db2.gz IBAWXIQWNJHKLA-JKSUJKDBSA-N 1 0 280.460 2.071 10 30 CEEERO CCC[NH2+]CCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050620085 519919170 /nfs/dbraw/zinc/91/91/70/519919170.db2.gz ITYGHGHPSZAEML-UHFFFAOYSA-N 1 0 256.309 2.150 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614920 520031199 /nfs/dbraw/zinc/03/11/99/520031199.db2.gz ZOJFVWKNOMMCDE-BZUAXINKSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055081141 520225544 /nfs/dbraw/zinc/22/55/44/520225544.db2.gz AHVIOIZIPNXVCG-KRWDZBQOSA-N 1 0 294.487 2.322 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCC)c1cccs1 ZINC000049544667 518281860 /nfs/dbraw/zinc/28/18/60/518281860.db2.gz JRZVRCYCROLBBD-VXGBXAGGSA-N 1 0 264.394 2.317 10 30 CEEERO CC(C)(C)CC(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586433 518623347 /nfs/dbraw/zinc/62/33/47/518623347.db2.gz QGWDRHPFJZJDQH-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CC(C)(C)[NH2+]Cc1cc(F)c(-n2cnc(C#N)n2)c(F)c1 ZINC000062739011 518764218 /nfs/dbraw/zinc/76/42/18/518764218.db2.gz KAVLWWNZYSJJPN-UHFFFAOYSA-N 1 0 291.305 2.305 10 30 CEEERO CC(C)(C)[NH2+]Cc1ccccc1-n1cnc(C#N)n1 ZINC000062739028 518766917 /nfs/dbraw/zinc/76/69/17/518766917.db2.gz CBGMGSIHZQGWLA-UHFFFAOYSA-N 1 0 255.325 2.027 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@H]([NH3+])CCOC ZINC000052808053 519079671 /nfs/dbraw/zinc/07/96/71/519079671.db2.gz LWHUVYQAPBLCFO-LLVKDONJSA-N 1 0 280.393 2.267 10 30 CEEERO CC(C)N(CCC#N)Cc1[nH+]c(NN)ccc1Cl ZINC000061638549 519641480 /nfs/dbraw/zinc/64/14/80/519641480.db2.gz RCQJZNJZVQBOHU-UHFFFAOYSA-N 1 0 267.764 2.145 10 30 CEEERO CC(C)CN(CCC#N)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052882289 519714766 /nfs/dbraw/zinc/71/47/66/519714766.db2.gz FWOVEXDRGDAXJZ-MRXNPFEDSA-N 1 0 273.380 2.259 10 30 CEEERO CC(C)N[C@@H](C#N)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000062435601 519733811 /nfs/dbraw/zinc/73/38/11/519733811.db2.gz RSUOFLPWSVFYMH-MRXNPFEDSA-N 1 0 292.471 2.217 10 30 CEEERO CC(C)OCCOCc1ccc(C#CC[NH3+])cc1F ZINC000049610779 519768598 /nfs/dbraw/zinc/76/85/98/519768598.db2.gz KTUMQPIPRYAIQU-UHFFFAOYSA-N 1 0 265.328 2.078 10 30 CEEERO CCC[C@]1(C(=O)Nc2cccc(C#N)c2)CC[NH2+]C1 ZINC000062889168 521301151 /nfs/dbraw/zinc/30/11/51/521301151.db2.gz UPZOPGRHBZJKMA-HNNXBMFYSA-N 1 0 257.337 2.277 10 30 CEEERO CCCN(c1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000061812517 521697916 /nfs/dbraw/zinc/69/79/16/521697916.db2.gz HJYMPZXWXMEPEU-OCZCAGDBSA-N 1 0 270.380 2.453 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061318612 521944771 /nfs/dbraw/zinc/94/47/71/521944771.db2.gz ZZJYQNKGCSTKNW-UHFFFAOYSA-N 1 0 263.366 2.045 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1c1nc2c(cc1C#N)CCC2 ZINC000063169427 522043030 /nfs/dbraw/zinc/04/30/30/522043030.db2.gz DERWSILWSHPWOE-AWEZNQCLSA-N 1 0 270.380 2.020 10 30 CEEERO C[NH2+]Cc1ccc(OCCCCC#N)c([N+](=O)[O-])c1 ZINC000049578226 522123534 /nfs/dbraw/zinc/12/35/34/522123534.db2.gz AEXMTFJHIVYZPG-UHFFFAOYSA-N 1 0 263.297 2.387 10 30 CEEERO CC[C@@H]([NH3+])[C@@](O)(c1cccc(C#N)c1)C(F)(F)F ZINC000062784330 522652095 /nfs/dbraw/zinc/65/20/95/522652095.db2.gz UMROIKADTLJMGZ-MNOVXSKESA-N 1 0 258.243 2.045 10 30 CEEERO CC[C@@H](NC(=O)c1cc(F)ccc1C#CC[NH3+])C(C)C ZINC000049148554 522776377 /nfs/dbraw/zinc/77/63/77/522776377.db2.gz YCRIGAGNOIGSND-OAHLLOKOSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C(C)C ZINC000049129752 522849542 /nfs/dbraw/zinc/84/95/42/522849542.db2.gz KVIRQUVMJQVDFB-GDBMZVCRSA-N 1 0 276.380 2.322 10 30 CEEERO COc1ccc(C[NH+]2CCCC2)cc1C#CCCO ZINC000049615576 524025926 /nfs/dbraw/zinc/02/59/26/524025926.db2.gz GUMXDTUYTCZFCL-UHFFFAOYSA-N 1 0 259.349 2.025 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)[C@H]1C ZINC000050568538 524208613 /nfs/dbraw/zinc/20/86/13/524208613.db2.gz XCMGYNHWYUXWQT-OLZOCXBDSA-N 1 0 288.366 2.397 10 30 CEEERO Cc1cccc(C)c1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629372 524297731 /nfs/dbraw/zinc/29/77/31/524297731.db2.gz VIZVOSQXGLAUEQ-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO N#Cc1ccc(NC[C@@H](O)C[NH+]2CCCCC2)cc1Cl ZINC000174684886 534795586 /nfs/dbraw/zinc/79/55/86/534795586.db2.gz JMPBNAAYMMXYFP-CQSZACIVSA-N 1 0 293.798 2.470 10 30 CEEERO C[C@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616463 524650541 /nfs/dbraw/zinc/65/05/41/524650541.db2.gz IJVGEXVSOPBJCQ-IJEWVQPXSA-N 1 0 279.428 2.158 10 30 CEEERO C[C@H]([NH3+])Cc1ccc(OCc2ccnc(C#N)c2)cc1 ZINC000068759221 524834663 /nfs/dbraw/zinc/83/46/63/524834663.db2.gz WYTWGWNLFSCIKY-LBPRGKRZSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@@H](NC(=O)CC(F)(F)F)c1cccc(C#CC[NH3+])c1 ZINC000049587215 525075992 /nfs/dbraw/zinc/07/59/92/525075992.db2.gz LKDPVQOIPLNHOP-SNVBAGLBSA-N 1 0 284.281 2.126 10 30 CEEERO C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000050568537 525636893 /nfs/dbraw/zinc/63/68/93/525636893.db2.gz XCMGYNHWYUXWQT-QWHCGFSZSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@@H](C#N)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000049846768 526237803 /nfs/dbraw/zinc/23/78/03/526237803.db2.gz LJITUENAWWVPKR-HNNXBMFYSA-N 1 0 257.381 2.149 10 30 CEEERO Cc1nn(Cc2ccccc2C#CC[NH3+])c(C)c1C ZINC000049610240 526296414 /nfs/dbraw/zinc/29/64/14/526296414.db2.gz HKXBQGRNIVIGHP-UHFFFAOYSA-N 1 0 253.349 2.167 10 30 CEEERO N#CCc1ccc(OCc2ccc[nH+]c2NN)cc1 ZINC000052728581 526485988 /nfs/dbraw/zinc/48/59/88/526485988.db2.gz SGIXVHKRYAYAJS-UHFFFAOYSA-N 1 0 254.293 2.012 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070252685 526525021 /nfs/dbraw/zinc/52/50/21/526525021.db2.gz FZNFGTOXZDYUEP-NSHDSACASA-N 1 0 273.311 2.026 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccccc2F)cc1 ZINC000049586284 527150552 /nfs/dbraw/zinc/15/05/52/527150552.db2.gz XJUOIDWAVBNPOM-UHFFFAOYSA-N 1 0 282.318 2.066 10 30 CEEERO [NH3+]CC#Cc1cccc(NC(=O)Cc2cccc(Cl)c2)n1 ZINC000052945398 527153394 /nfs/dbraw/zinc/15/33/94/527153394.db2.gz HJRXUPCBLHXXRB-UHFFFAOYSA-N 1 0 299.761 2.226 10 30 CEEERO [NH3+]CC#Cc1cccc(Cn2ncc3ccccc32)c1 ZINC000050527411 527153781 /nfs/dbraw/zinc/15/37/81/527153781.db2.gz GAEONDUCWLXXJK-UHFFFAOYSA-N 1 0 261.328 2.395 10 30 CEEERO [NH3+]CC#Cc1ccccc1NC(=O)CC[C@H]1CCCCO1 ZINC000069399442 527154429 /nfs/dbraw/zinc/15/44/29/527154429.db2.gz QGWHAXFBJQUYFV-OAHLLOKOSA-N 1 0 286.375 2.285 10 30 CEEERO [NH3+]CC#Cc1ccccc1CSc1ncccn1 ZINC000049611445 527154497 /nfs/dbraw/zinc/15/44/97/527154497.db2.gz JNQZIIYVEHGVBS-UHFFFAOYSA-N 1 0 255.346 2.079 10 30 CEEERO CC[NH2+][C@H]1CCCN(c2cc(Cl)ccc2C#N)C1=O ZINC000086115338 535516912 /nfs/dbraw/zinc/51/69/12/535516912.db2.gz HUHHMBOXHDEKKB-LBPRGKRZSA-N 1 0 277.755 2.317 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235627854 625679578 /nfs/dbraw/zinc/67/95/78/625679578.db2.gz DGMRFUDNIACNER-RNFRBKRXSA-N 1 0 256.762 2.221 10 30 CEEERO Cc1nc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c(Cl)cc1C#N ZINC000261587063 628941005 /nfs/dbraw/zinc/94/10/05/628941005.db2.gz UUMBYMZNAQHOKM-QPUJVOFHSA-N 1 0 264.760 2.089 10 30 CEEERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CC[C@H]1[NH3+] ZINC000251524101 628964629 /nfs/dbraw/zinc/96/46/29/628964629.db2.gz ABUMILFGWCCQJN-GXFFZTMASA-N 1 0 274.324 2.030 10 30 CEEERO C=CCc1cc(CN2CC[C@H]([NH+](C)C)C2)c(O)c(OC)c1 ZINC000164281932 639363664 /nfs/dbraw/zinc/36/36/64/639363664.db2.gz WOPFPHCZINKHIF-HNNXBMFYSA-N 1 0 290.407 2.265 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000229605509 639710164 /nfs/dbraw/zinc/71/01/64/639710164.db2.gz NCLKPBJEKIASKL-JOYOIKCWSA-N 1 0 260.297 2.019 10 30 CEEERO C[NH2+][C@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386081 641755144 /nfs/dbraw/zinc/75/51/44/641755144.db2.gz GZLYMMAAROKTRI-AWEZNQCLSA-N 1 0 266.348 2.295 10 30 CEEERO C[C@]1(CNc2nc3c(cc2C#N)CCC3)CCC[NH2+]C1 ZINC000129392185 651937292 /nfs/dbraw/zinc/93/72/92/651937292.db2.gz NEKZHDPEMFDVBQ-INIZCTEOSA-N 1 0 270.380 2.244 10 30 CEEERO C[NH2+]CCC1CCN(c2nccc(C)c2C#N)CC1 ZINC000135203134 652950842 /nfs/dbraw/zinc/95/08/42/652950842.db2.gz VJIYMGITDGAXQP-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO CC1(C)CC[C@](C#N)(N2CC[NH2+]CC2)c2ccccc21 ZINC000034963800 361801437 /nfs/dbraw/zinc/80/14/37/361801437.db2.gz WVLSIOJWEONDKP-QGZVFWFLSA-N 1 0 269.392 2.382 10 30 CEEERO C#CCOc1cccc(C[NH2+]CCN(CC)CC)c1 ZINC000045946472 362171358 /nfs/dbraw/zinc/17/13/58/362171358.db2.gz PNJGMBXIKPRHEI-UHFFFAOYSA-N 1 0 260.381 2.130 10 30 CEEERO C#CC[N@@H+](C)Cc1cc(N)cc(Br)c1 ZINC000130286178 344351463 /nfs/dbraw/zinc/35/14/63/344351463.db2.gz HDECFEZXJUDEON-UHFFFAOYSA-N 1 0 253.143 2.096 10 30 CEEERO C[C@H]([NH3+])CNc1ccc(C#N)cc1Br ZINC000169225213 344481400 /nfs/dbraw/zinc/48/14/00/344481400.db2.gz VOEIMONWMBCKDM-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1CCCO ZINC000052759638 362472803 /nfs/dbraw/zinc/47/28/03/362472803.db2.gz PDPYRWPRSKBGTJ-HNNXBMFYSA-N 1 0 274.364 2.174 10 30 CEEERO CC[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252848534 344641898 /nfs/dbraw/zinc/64/18/98/344641898.db2.gz HWYBSOQAFVYIKP-NWDGAFQWSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1cc(NCCC2(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000404517429 344880820 /nfs/dbraw/zinc/88/08/20/344880820.db2.gz KJHFORWIXBENNS-UHFFFAOYSA-N 1 0 260.297 2.007 10 30 CEEERO C[NH2+]Cc1ccccc1CNc1cc(C#N)cc(C)n1 ZINC000404540360 344881595 /nfs/dbraw/zinc/88/15/95/344881595.db2.gz GGCUCCJYVPOQLT-UHFFFAOYSA-N 1 0 266.348 2.015 10 30 CEEERO C[C@H](C#N)C[NH2+]CCCCCCC[NH2+]C[C@H](C)C#N ZINC000584651685 344973396 /nfs/dbraw/zinc/97/33/96/344973396.db2.gz CKYLEPHEOONYPN-HUUCEWRRSA-N 1 0 264.417 2.435 10 30 CEEERO CC1([NH3+])CCN(c2cc(C#N)c3ccccc3n2)CC1 ZINC000591435391 345253266 /nfs/dbraw/zinc/25/32/66/345253266.db2.gz QXPDILPJTJRFOH-UHFFFAOYSA-N 1 0 266.348 2.424 10 30 CEEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cc(F)ccc1F ZINC000591595239 345268018 /nfs/dbraw/zinc/26/80/18/345268018.db2.gz VYDIVVDSKSUHBN-TVQRCGJNSA-N 1 0 281.306 2.163 10 30 CEEERO C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594432802 345628817 /nfs/dbraw/zinc/62/88/17/345628817.db2.gz BWKMLGCWRCLMCB-WCQYABFASA-N 1 0 251.374 2.093 10 30 CEEERO CN(CC(C)(C)[NH3+])c1cccc(Br)c1C#N ZINC000594691970 345672637 /nfs/dbraw/zinc/67/26/37/345672637.db2.gz FOQJRNKEKAKPFX-UHFFFAOYSA-N 1 0 282.185 2.494 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592215 136514099 /nfs/dbraw/zinc/51/40/99/136514099.db2.gz DJKUZAGXZPUGSN-ZWNOBZJWSA-N 1 0 274.324 2.173 10 30 CEEERO C[NH2+]CC[C@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592278 136514149 /nfs/dbraw/zinc/51/41/49/136514149.db2.gz UHKAJCRLVXBSRH-CYBMUJFWSA-N 1 0 288.351 2.435 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085360692 179033168 /nfs/dbraw/zinc/03/31/68/179033168.db2.gz XNBYYQZOTTYHNF-WDEREUQCSA-N 1 0 263.728 2.278 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085369799 179039766 /nfs/dbraw/zinc/03/97/66/179039766.db2.gz JOEABTKQFRETRJ-GJZGRUSLSA-N 1 0 271.364 2.056 10 30 CEEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1cccc(F)c1C#N)C2 ZINC000600956206 346717264 /nfs/dbraw/zinc/71/72/64/346717264.db2.gz PVJKTBFMGIJPJD-GASCZTMLSA-N 1 0 259.328 2.133 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2ccccc2C#CC[NH3+])[C@@H]1C ZINC000086081128 179227561 /nfs/dbraw/zinc/22/75/61/179227561.db2.gz UTDYKKDSNZYXRF-XJKCOSOUSA-N 1 0 270.376 2.161 10 30 CEEERO CCCCCCC[C@H](C(=O)OC)N1CCC[NH2+]CC1 ZINC000103073380 185806265 /nfs/dbraw/zinc/80/62/65/185806265.db2.gz MBHSZUMEJSLIFD-CQSZACIVSA-N 1 0 270.417 2.184 10 30 CEEERO C=C(Br)COc1ccc(C[C@@H](C)[NH3+])nc1 ZINC000086795482 179335963 /nfs/dbraw/zinc/33/59/63/179335963.db2.gz SBEZXWRDQVGZCM-SECBINFHSA-N 1 0 271.158 2.259 10 30 CEEERO C=CCNC(=O)c1ccc(N[C@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818765 179346370 /nfs/dbraw/zinc/34/63/70/179346370.db2.gz XXYQMVFNSPWLFE-HNNXBMFYSA-N 1 0 287.407 2.499 10 30 CEEERO N#Cc1cc(C[NH2+]CC2(O)CCCCCC2)ccn1 ZINC000087089306 179393817 /nfs/dbraw/zinc/39/38/17/179393817.db2.gz ZDHLUCDAOBJKLR-UHFFFAOYSA-N 1 0 259.353 2.128 10 30 CEEERO [NH3+]CC#Cc1ccccc1C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000087782392 179485397 /nfs/dbraw/zinc/48/53/97/179485397.db2.gz XKEXVZXXRQFUEH-NVXWUHKLSA-N 1 0 282.387 2.402 10 30 CEEERO COc1ccc(C#CCO)c(C[N@H+](C)C[C@H]2C[C@@H]2C)c1 ZINC000087787261 179486528 /nfs/dbraw/zinc/48/65/28/179486528.db2.gz KEULVGDRDBOSLI-DZGCQCFKSA-N 1 0 273.376 2.127 10 30 CEEERO COc1ccc(COC[C@@H]2CCCC[NH2+]2)cc1C#N ZINC000087832287 179496345 /nfs/dbraw/zinc/49/63/45/179496345.db2.gz SDRIESTUMAMCTM-AWEZNQCLSA-N 1 0 260.337 2.226 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000088191387 179561860 /nfs/dbraw/zinc/56/18/60/179561860.db2.gz UVHKRRJHXLVSFU-SECBINFHSA-N 1 0 283.253 2.125 10 30 CEEERO N#Cc1ccc([C@@H]2c3ccccc3CCN2CC[NH3+])cc1 ZINC000616678102 348558099 /nfs/dbraw/zinc/55/80/99/348558099.db2.gz BKKOFAPUBXOSOV-GOSISDBHSA-N 1 0 277.371 2.464 10 30 CEEERO COc1cc(CC[NH3+])ccc1OCC1(CC#N)CC1 ZINC000088256659 179571228 /nfs/dbraw/zinc/57/12/28/179571228.db2.gz TXBZJEOGJLAUSW-UHFFFAOYSA-N 1 0 260.337 2.269 10 30 CEEERO C[C@@H]1CC[C@H](C)N(C(=O)c2ccccc2C#CC[NH3+])C1 ZINC000088712216 179656026 /nfs/dbraw/zinc/65/60/26/179656026.db2.gz CJKPWENLLMFADM-KGLIPLIRSA-N 1 0 270.376 2.257 10 30 CEEERO C#CCNC(=O)CSc1cccc(C[NH2+]C(C)C)c1 ZINC000090871900 180049632 /nfs/dbraw/zinc/04/96/32/180049632.db2.gz JUGUPUKFNGXCNA-UHFFFAOYSA-N 1 0 276.405 2.026 10 30 CEEERO COCC[NH2+]Cc1cccc(S[C@@H](C)C#N)c1 ZINC000090873116 180049669 /nfs/dbraw/zinc/04/96/69/180049669.db2.gz OYUGLJDUEKTIMO-NSHDSACASA-N 1 0 250.367 2.427 10 30 CEEERO CC(C)CCC[C@@H](C)NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462212 180162575 /nfs/dbraw/zinc/16/25/75/180162575.db2.gz DGWVEZROQWWKES-CQSZACIVSA-N 1 0 287.407 2.336 10 30 CEEERO CC1(C)CCCN(C(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091463633 180162657 /nfs/dbraw/zinc/16/26/57/180162657.db2.gz KMJDVDNWHAGHPV-UHFFFAOYSA-N 1 0 285.391 2.044 10 30 CEEERO CSC1(C#N)CC[NH+]([C@@H]2CCCCC[C@@H]2O)CC1 ZINC000091471113 180165019 /nfs/dbraw/zinc/16/50/19/180165019.db2.gz OAHYJWLFMYCQMH-OLZOCXBDSA-N 1 0 268.426 2.401 10 30 CEEERO Cc1cc([C@@H](C#N)NCC[NH+](C)C)ccc1Br ZINC000091471460 180165243 /nfs/dbraw/zinc/16/52/43/180165243.db2.gz RRAMSGXHNFEQFO-CYBMUJFWSA-N 1 0 296.212 2.473 10 30 CEEERO C=C(CC)C[C@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091567002 180194771 /nfs/dbraw/zinc/19/47/71/180194771.db2.gz RTSKFIIMFJKACZ-AWEZNQCLSA-N 1 0 254.418 2.432 10 30 CEEERO C=C(CC)C[C@H]([NH2+]CC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091721950 180240388 /nfs/dbraw/zinc/24/03/88/180240388.db2.gz BHNYIYPYXPQKJG-QLFBSQMISA-N 1 0 252.402 2.184 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092112320 180327315 /nfs/dbraw/zinc/32/73/15/180327315.db2.gz MCCWVWMWFUGFMC-OKILXGFUSA-N 1 0 270.376 2.033 10 30 CEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1cccc(C#N)c1)CC2 ZINC000105873844 186082063 /nfs/dbraw/zinc/08/20/63/186082063.db2.gz DWESRCXSJVUADA-OAHLLOKOSA-N 1 0 295.390 2.378 10 30 CEEERO C#CC[NH2+]CC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000105964645 186095253 /nfs/dbraw/zinc/09/52/53/186095253.db2.gz KGCFSFMBTQCJKQ-UHFFFAOYSA-N 1 0 285.174 2.175 10 30 CEEERO C#CC[NH2+]CC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000092492312 180396721 /nfs/dbraw/zinc/39/67/21/180396721.db2.gz PRPXYVZAAOMVFU-CYBMUJFWSA-N 1 0 272.392 2.384 10 30 CEEERO CC[C@@H](C#N)N1CC[NH+](CCc2ccccc2)CC1 ZINC000109455127 186254108 /nfs/dbraw/zinc/25/41/08/186254108.db2.gz ZJQCAUJPNGVEPU-INIZCTEOSA-N 1 0 257.381 2.149 10 30 CEEERO CCN(c1nc2c(cc1C#N)CCC2)[C@H]1CCC[NH2+]C1 ZINC000110947650 186335878 /nfs/dbraw/zinc/33/58/78/186335878.db2.gz VZVUZJGIONKBMZ-AWEZNQCLSA-N 1 0 270.380 2.020 10 30 CEEERO CCOCC[N@H+](CC)Cc1ccc(C#CCO)cc1F ZINC000111121136 186355329 /nfs/dbraw/zinc/35/53/29/186355329.db2.gz UXILQYBYODKBJX-UHFFFAOYSA-N 1 0 279.355 2.028 10 30 CEEERO C[N@@H+](Cc1sccc1C#CCCO)C[C@H]1CCCOC1 ZINC000111168267 186364279 /nfs/dbraw/zinc/36/42/79/186364279.db2.gz SPDALOVVLVRNJA-CQSZACIVSA-N 1 0 293.432 2.340 10 30 CEEERO N#Cc1ccccc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243088 186374453 /nfs/dbraw/zinc/37/44/53/186374453.db2.gz UUXPJLFUDVRHTL-GFCCVEGCSA-N 1 0 283.253 2.039 10 30 CEEERO Cc1sc(NC(=O)[C@H]2C[NH2+]C[C@@H]2C)c(C#N)c1C ZINC000111271636 186384495 /nfs/dbraw/zinc/38/44/95/186384495.db2.gz BNSIAKHFGGLPNQ-CPCISQLKSA-N 1 0 263.366 2.031 10 30 CEEERO C[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000271619561 191244657 /nfs/dbraw/zinc/24/46/57/191244657.db2.gz WQKVDQBYVASYEP-XHDPSFHLSA-N 1 0 261.344 2.079 10 30 CEEERO CC1(C)CC2(CC(C)(C)[NH2+]C(C)(C)C2)C(=O)N1C[C@H]1CO1 ZINC000141684491 187910292 /nfs/dbraw/zinc/91/02/92/187910292.db2.gz NXEKRGHBHLZGDE-LBPRGKRZSA-N 1 0 294.439 2.323 10 30 CEEERO Fc1ccc(C#CC[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000156665912 188275279 /nfs/dbraw/zinc/27/52/79/188275279.db2.gz MMUGTSZWCDZPSL-INIZCTEOSA-N 1 0 298.365 2.181 10 30 CEEERO C[NH2+][C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133672443 366246556 /nfs/dbraw/zinc/24/65/56/366246556.db2.gz BOHPGWSYNPUIPI-JTQLQIEISA-N 1 0 251.280 2.025 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)C2(C#N)CCCCC2)[C@@H](C)C1 ZINC000158929964 366861095 /nfs/dbraw/zinc/86/10/95/366861095.db2.gz JWIUTXPBDACYQS-KBPBESRZSA-N 1 0 277.412 2.305 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000110651461 364723248 /nfs/dbraw/zinc/72/32/48/364723248.db2.gz MBPWQMHRGXUBFG-LBPRGKRZSA-N 1 0 284.407 2.396 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(C#N)cc1Br ZINC000214316344 189690304 /nfs/dbraw/zinc/69/03/04/189690304.db2.gz ALSIMMJSJKEVID-GXSJLCMTSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)CC[NH2+]1 ZINC000116942734 365081598 /nfs/dbraw/zinc/08/15/98/365081598.db2.gz LWZOMHJHCUYPBR-SECBINFHSA-N 1 0 280.169 2.119 10 30 CEEERO N#CCc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000335867063 365091126 /nfs/dbraw/zinc/09/11/26/365091126.db2.gz HFTXCILZWGPKAR-INIZCTEOSA-N 1 0 255.365 2.033 10 30 CEEERO C#CCOc1ccc(C(=O)NC[C@H](C)[NH+](CC)CC)cc1 ZINC000120415137 365421304 /nfs/dbraw/zinc/42/13/04/365421304.db2.gz CMMWKJBCECCHBE-AWEZNQCLSA-N 1 0 288.391 2.159 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000175044670 368092912 /nfs/dbraw/zinc/09/29/12/368092912.db2.gz YXQCCJKVEBRNBH-HZPDHXFCSA-N 1 0 283.375 2.257 10 30 CEEERO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C12CCOCC2 ZINC000185659165 368839007 /nfs/dbraw/zinc/83/90/07/368839007.db2.gz BWWSSHSRLUBSAL-CABCVRRESA-N 1 0 290.363 2.215 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000247193648 371074976 /nfs/dbraw/zinc/07/49/76/371074976.db2.gz LJRVQSLCPMNNNN-CJNGLKHVSA-N 1 0 255.365 2.227 10 30 CEEERO CCc1nnc(N[C@H]2CC[C@@H](C[NH3+])C2)c(C#N)c1CC ZINC000382475869 375187696 /nfs/dbraw/zinc/18/76/96/375187696.db2.gz SUKONYGIUHYINE-MNOVXSKESA-N 1 0 273.384 2.012 10 30 CEEERO C[C@H](C[NH3+])N(C)c1ccc(C(F)(F)F)cc1C#N ZINC000383022638 375196665 /nfs/dbraw/zinc/19/66/65/375196665.db2.gz STUDOECRJGQBFQ-MRVPVSSYSA-N 1 0 257.259 2.360 10 30 CEEERO N#Cc1ccc(NC[C@@H]2C[NH2+]CCCO2)cc1Cl ZINC000390134197 375309570 /nfs/dbraw/zinc/30/95/70/375309570.db2.gz QWWTUINBGUVQMQ-LBPRGKRZSA-N 1 0 265.744 2.002 10 30 CEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000310176926 376616844 /nfs/dbraw/zinc/61/68/44/376616844.db2.gz MNDCBBJDCPHAOD-CMPLNLGQSA-N 1 0 252.749 2.208 10 30 CEEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000296105842 378420851 /nfs/dbraw/zinc/42/08/51/378420851.db2.gz ICMXJPALNGJQJZ-CJNGLKHVSA-N 1 0 274.364 2.172 10 30 CEEERO Cn1cc([C@H](CNc2ccc(C#N)cc2F)[NH+](C)C)cn1 ZINC000301296745 379250756 /nfs/dbraw/zinc/25/07/56/379250756.db2.gz RZQBUYRRUKWZSO-HNNXBMFYSA-N 1 0 287.342 2.146 10 30 CEEERO C[C@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1[NH+](C)C ZINC000287712844 196924413 /nfs/dbraw/zinc/92/44/13/196924413.db2.gz DYWDYPMWDVJNLK-YUMQZZPRSA-N 1 0 270.789 2.054 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000094752479 184853132 /nfs/dbraw/zinc/85/31/32/184853132.db2.gz MNOIUPHITZFTNE-GJZGRUSLSA-N 1 0 287.363 2.435 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1C)n1ccnc1C#N ZINC000094936572 184896259 /nfs/dbraw/zinc/89/62/59/184896259.db2.gz OYLGNVNLTUWTKS-UKRRQHHQSA-N 1 0 254.337 2.390 10 30 CEEERO CCCCN(CCCC)C(=O)C[n+]1ccc(/C=N/O)cc1 ZINC000001920015 394452388 /nfs/dbraw/zinc/45/23/88/394452388.db2.gz ZJQCURCVDBIVEZ-UHFFFAOYSA-O 1 0 292.403 2.211 10 30 CEEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000249927892 394561011 /nfs/dbraw/zinc/56/10/11/394561011.db2.gz YZVWXSWBDVDJEO-AWEZNQCLSA-N 1 0 286.335 2.141 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)CCC2 ZINC000252868509 394574815 /nfs/dbraw/zinc/57/48/15/394574815.db2.gz RNVVLWUQAXQXGF-AEGPPILISA-N 1 0 282.391 2.006 10 30 CEEERO CC[N@@H+]1CC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000413566369 394585976 /nfs/dbraw/zinc/58/59/76/394585976.db2.gz JBFPDOATBWJXHI-GFCCVEGCSA-N 1 0 274.324 2.281 10 30 CEEERO CC[C@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1CCOC ZINC000192001622 395369590 /nfs/dbraw/zinc/36/95/90/395369590.db2.gz LQHOTZKHYVXPEU-SFHVURJKSA-N 1 0 286.419 2.081 10 30 CEEERO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000532749010 395460941 /nfs/dbraw/zinc/46/09/41/395460941.db2.gz VEBGZWFOJXTERO-HIFRSBDPSA-N 1 0 269.348 2.371 10 30 CEEERO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000533081570 395460948 /nfs/dbraw/zinc/46/09/48/395460948.db2.gz FNUDZDMEZWKVED-DZGCQCFKSA-N 1 0 269.348 2.371 10 30 CEEERO C=CC[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195258899 395462864 /nfs/dbraw/zinc/46/28/64/395462864.db2.gz GHZQVAMWEVYTOC-ZDUSSCGKSA-N 1 0 265.426 2.391 10 30 CEEERO C[C@@]1(C[NH3+])CCN(c2cccc(Br)c2C#N)C1 ZINC000261542416 162544916 /nfs/dbraw/zinc/54/49/16/162544916.db2.gz CBUJFCUGRMFQCT-ZDUSSCGKSA-N 1 0 294.196 2.496 10 30 CEEERO CC(C)(C)c1ccc([C@H](C#N)N2CC[NH2+]CC2)cc1 ZINC000019388238 170780167 /nfs/dbraw/zinc/78/01/67/170780167.db2.gz HMRHIUDGBSIWSD-HNNXBMFYSA-N 1 0 257.381 2.454 10 30 CEEERO CC[NH+](CC)CCCNCc1ccc(OCC#N)cc1 ZINC000034991384 171917991 /nfs/dbraw/zinc/91/79/91/171917991.db2.gz COYLRCLWMOXIAN-UHFFFAOYSA-N 1 0 275.396 2.410 10 30 CEEERO N#CCc1ccc(NC(=O)C[NH2+]C2CCCC2)cc1 ZINC000037388976 173172560 /nfs/dbraw/zinc/17/25/60/173172560.db2.gz NVNNFKLLWOLFBG-UHFFFAOYSA-N 1 0 257.337 2.223 10 30 CEEERO C#CCCOc1c(Cl)cc(C[NH2+]C)cc1OC ZINC000037701583 173623731 /nfs/dbraw/zinc/62/37/31/173623731.db2.gz DWWCNQQWINQCEK-UHFFFAOYSA-N 1 0 253.729 2.470 10 30 CEEERO C[C@@H]([NH3+])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000040419671 174257324 /nfs/dbraw/zinc/25/73/24/174257324.db2.gz HNXWDBWXYTYOKS-MRVPVSSYSA-N 1 0 263.366 2.174 10 30 CEEERO Cc1cc(C)c(C#N)c(OCC[C@@H]2CCC[N@H+]2C)n1 ZINC000040509247 174303415 /nfs/dbraw/zinc/30/34/15/174303415.db2.gz HPSKJYGSKQSRBM-ZDUSSCGKSA-N 1 0 259.353 2.433 10 30 CEEERO C=CCOc1ccccc1C[NH2+]CCc1nccn1C ZINC000040639130 174363633 /nfs/dbraw/zinc/36/36/33/174363633.db2.gz ROVCJXORXMGNLV-UHFFFAOYSA-N 1 0 271.364 2.317 10 30 CEEERO C[NH2+][C@H](C)c1ccc(NC(=O)N(C)CCC#N)cc1 ZINC000041710310 174612787 /nfs/dbraw/zinc/61/27/87/174612787.db2.gz WQXRIYBRBCRKGI-LLVKDONJSA-N 1 0 260.341 2.344 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnnn1C(C)C ZINC000661117102 415103809 /nfs/dbraw/zinc/10/38/09/415103809.db2.gz OHXIQLIBPZXGTA-OLZOCXBDSA-N 1 0 263.389 2.479 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341838 175015292 /nfs/dbraw/zinc/01/52/92/175015292.db2.gz SKOFNMKQORVHBX-BZNIZROVSA-N 1 0 283.331 2.429 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341839 175015435 /nfs/dbraw/zinc/01/54/35/175015435.db2.gz SKOFNMKQORVHBX-MEDUHNTESA-N 1 0 283.331 2.429 10 30 CEEERO N#C[C@H](c1ccc(Cl)c(F)c1)N1CCC[NH2+]CC1 ZINC000043390772 175033663 /nfs/dbraw/zinc/03/36/63/175033663.db2.gz GPWGMSUZVISSHW-CYBMUJFWSA-N 1 0 267.735 2.339 10 30 CEEERO CC[C@@H](C)[N@H+](CCOC)Cc1ccc(C#CCO)s1 ZINC000043681980 175090866 /nfs/dbraw/zinc/09/08/66/175090866.db2.gz XLAWTZXQOBFACE-CYBMUJFWSA-N 1 0 281.421 2.339 10 30 CEEERO CC(C)[C@H](C#N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044809127 175257495 /nfs/dbraw/zinc/25/74/95/175257495.db2.gz XQTNLUFEEBRXAI-ZDUSSCGKSA-N 1 0 253.390 2.017 10 30 CEEERO CN[C@@](C)(C#N)CCCC[N@H+](C)CCc1ccncc1 ZINC000045312706 175357103 /nfs/dbraw/zinc/35/71/03/175357103.db2.gz NPIYTTPSVQWKRX-MRXNPFEDSA-N 1 0 274.412 2.228 10 30 CEEERO CN[C@@](C)(C#N)CCCC[N@H+](CCN(C)C)CC(C)C ZINC000045314024 175357313 /nfs/dbraw/zinc/35/73/13/175357313.db2.gz BIGSHSNGPSTXPS-MRXNPFEDSA-N 1 0 282.476 2.178 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1 ZINC000045311925 175357552 /nfs/dbraw/zinc/35/75/52/175357552.db2.gz IITXZSILZNBZDP-HNNXBMFYSA-N 1 0 267.417 2.158 10 30 CEEERO CN[C@](C)(C#N)CCCC[N@H+](CCN(C)C)CC(C)C ZINC000045314020 175357580 /nfs/dbraw/zinc/35/75/80/175357580.db2.gz BIGSHSNGPSTXPS-INIZCTEOSA-N 1 0 282.476 2.178 10 30 CEEERO C[C@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000071210978 176083134 /nfs/dbraw/zinc/08/31/34/176083134.db2.gz MISVUULBZLXWKY-NHYWBVRUSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@H]([NH3+])[C@H](N(CCC#N)CCOC)C(C)(C)C ZINC000071222206 176087556 /nfs/dbraw/zinc/08/75/56/176087556.db2.gz QMZHBTLIQAUFPL-STQMWFEESA-N 1 0 255.406 2.000 10 30 CEEERO COCCN(CCC#N)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000071222059 176087663 /nfs/dbraw/zinc/08/76/63/176087663.db2.gz HLXIRRWWMXOIFB-SNVBAGLBSA-N 1 0 287.816 2.263 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccc(F)cc2)s1 ZINC000071322752 176123498 /nfs/dbraw/zinc/12/34/98/176123498.db2.gz CSPBEJFFECKYKT-UHFFFAOYSA-N 1 0 288.347 2.127 10 30 CEEERO CCCN(c1nc(C)cc(C)c1C#N)[C@H]1CC[NH2+]C1 ZINC000071332680 176125574 /nfs/dbraw/zinc/12/55/74/176125574.db2.gz DOHKBVYEMHECRR-ZDUSSCGKSA-N 1 0 258.369 2.148 10 30 CEEERO [NH3+]Cc1nnc(SCC#Cc2ccccc2)n1C1CC1 ZINC000071376296 176141061 /nfs/dbraw/zinc/14/10/61/176141061.db2.gz KKVMKRHHAFPJDN-UHFFFAOYSA-N 1 0 284.388 2.216 10 30 CEEERO C=CCN(CC[NH3+])Cc1ccccc1Br ZINC000076706116 177065927 /nfs/dbraw/zinc/06/59/27/177065927.db2.gz APMQINWQLWEUIY-UHFFFAOYSA-N 1 0 269.186 2.396 10 30 CEEERO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000077205599 177233477 /nfs/dbraw/zinc/23/34/77/177233477.db2.gz LQYMENZGOLGWKC-HOCLYGCPSA-N 1 0 273.376 2.339 10 30 CEEERO CN(CCC#N)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079289186 177464259 /nfs/dbraw/zinc/46/42/59/177464259.db2.gz ZIAQFARVNUAZEQ-GFCCVEGCSA-N 1 0 253.390 2.150 10 30 CEEERO N#CCc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414757428 263039573 /nfs/dbraw/zinc/03/95/73/263039573.db2.gz LDDABDUIYPVNNR-OCCSQVGLSA-N 1 0 272.352 2.002 10 30 CEEERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](n2cncn2)C1 ZINC000333353796 287708191 /nfs/dbraw/zinc/70/81/91/287708191.db2.gz BQKZMRVWAFRQFQ-KHMAMNHCSA-N 1 0 273.384 2.290 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382455198 321840048 /nfs/dbraw/zinc/84/00/48/321840048.db2.gz IRBFTJBILXJQSJ-GXSJLCMTSA-N 1 0 260.297 2.006 10 30 CEEERO [NH2+]=C(NCc1nccc2ccccc21)NCC1CCC1 ZINC000170909640 329072163 /nfs/dbraw/zinc/07/21/63/329072163.db2.gz MIVPVZOMMJSVHW-UHFFFAOYSA-N 1 0 268.364 2.439 10 30 CEEERO Cc1nc(-c2ccccc2)sc1CNC(=[NH2+])N(C)C ZINC000170914813 329072491 /nfs/dbraw/zinc/07/24/91/329072491.db2.gz QXKBUCNDHYUZSF-UHFFFAOYSA-N 1 0 274.393 2.495 10 30 CEEERO C=CC[C@H](CC)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000393854407 329090614 /nfs/dbraw/zinc/09/06/14/329090614.db2.gz YGJJJWKDYXPTHY-QWHCGFSZSA-N 1 0 253.342 2.101 10 30 CEEERO C#C[C@@H](NC(=[NH2+])Nc1ccccc1COC)C(C)C ZINC000262085381 329999555 /nfs/dbraw/zinc/99/95/55/329999555.db2.gz FVMWLRHAIVDNAP-CYBMUJFWSA-N 1 0 259.353 2.217 10 30 CEEERO C=CCNC(=[NH2+])NCc1nc(C(C)C)c(C)s1 ZINC000262313578 330005552 /nfs/dbraw/zinc/00/55/52/330005552.db2.gz OOFQXWMBMOUGFJ-UHFFFAOYSA-N 1 0 252.387 2.165 10 30 CEEERO COC1CCC(C)(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000262496276 330017672 /nfs/dbraw/zinc/01/76/72/330017672.db2.gz WNLRNVOYQAUESB-UHFFFAOYSA-N 1 0 267.417 2.286 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@H]1[NH+]=C(N(C)C)N(C)C ZINC000262530013 330019738 /nfs/dbraw/zinc/01/97/38/330019738.db2.gz NDBNBMFEFZMQAK-ZBFHGGJFSA-N 1 0 275.396 2.204 10 30 CEEERO CC(C)[C@H]1OCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262522205 330022795 /nfs/dbraw/zinc/02/27/95/330022795.db2.gz JDSWJLCDLCULMS-HZSPNIEDSA-N 1 0 267.417 2.094 10 30 CEEERO CCCOc1cc(C)ccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262675886 330026043 /nfs/dbraw/zinc/02/60/43/330026043.db2.gz TYFLJAMWHPUQLK-GFCCVEGCSA-N 1 0 261.369 2.221 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000262754698 330029446 /nfs/dbraw/zinc/02/94/46/330029446.db2.gz AUIRWZXKGDWQMC-NPJQDHAYSA-N 1 0 293.455 2.281 10 30 CEEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)NC1CCCCCC1 ZINC000262773455 330030623 /nfs/dbraw/zinc/03/06/23/330030623.db2.gz HVDVRLWVZVSITD-CYBMUJFWSA-N 1 0 279.428 2.430 10 30 CEEERO CC(C)N[C@H](C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000062369203 519738090 /nfs/dbraw/zinc/73/80/90/519738090.db2.gz JXCTXADREDNEKZ-INIZCTEOSA-N 1 0 257.381 2.325 10 30 CEEERO CC[NH2+]C[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061267404 519970005 /nfs/dbraw/zinc/97/00/05/519970005.db2.gz URQGGVBXWFDZDX-VIFPVBQESA-N 1 0 277.393 2.293 10 30 CEEERO C#CC(C)(C)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000070119104 518239280 /nfs/dbraw/zinc/23/92/80/518239280.db2.gz GXYTWIRNPYJLKE-LBPRGKRZSA-N 1 0 267.756 2.081 10 30 CEEERO C=C(Br)COc1ccc2c(c1)OC[C@H]2[NH3+] ZINC000062803652 518585655 /nfs/dbraw/zinc/58/56/55/518585655.db2.gz FWBHJNHGPMVWGU-SNVBAGLBSA-N 1 0 270.126 2.366 10 30 CEEERO C=CCN(C(=O)[C@]1(CC)CC[NH2+]C1)C1CCCC1 ZINC000062895874 518737694 /nfs/dbraw/zinc/73/76/94/518737694.db2.gz RWHQPNHMLSAQDV-OAHLLOKOSA-N 1 0 250.386 2.333 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H](C)C[NH2+]CC)cc1 ZINC000061235181 519029835 /nfs/dbraw/zinc/02/98/35/519029835.db2.gz NYXWMJDESQWXSQ-AWEZNQCLSA-N 1 0 290.407 2.455 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1ccc(C#N)cc1 ZINC000048069289 519338420 /nfs/dbraw/zinc/33/84/20/519338420.db2.gz QCPSNNNYWLTSFD-OAHLLOKOSA-N 1 0 273.380 2.264 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611658 519735508 /nfs/dbraw/zinc/73/55/08/519735508.db2.gz IBAWXIQWNJHKLA-HZPDHXFCSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615641 519739131 /nfs/dbraw/zinc/73/91/31/519739131.db2.gz XGKNERJIGHBFEE-BBWFWOEESA-N 1 0 292.471 2.215 10 30 CEEERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(C#N)cc(F)c1C ZINC000061233619 519965660 /nfs/dbraw/zinc/96/56/60/519965660.db2.gz AQDAMYJPLNTDCK-VIFPVBQESA-N 1 0 263.316 2.190 10 30 CEEERO CC[NH2+]Cc1nccn1Cc1cc(C#N)ccc1F ZINC000051004929 520023314 /nfs/dbraw/zinc/02/33/14/520023314.db2.gz RLGWEPHEMAWXCV-UHFFFAOYSA-N 1 0 258.300 2.052 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615895 520031545 /nfs/dbraw/zinc/03/15/45/520031545.db2.gz LYRXMJWXGBHXTJ-IXDOHACOSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615185 520032919 /nfs/dbraw/zinc/03/29/19/520032919.db2.gz LJMPCZAWTGUISL-BZUAXINKSA-N 1 0 280.460 2.073 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N(CCC)CC[NH+](C)C ZINC000068613887 520032970 /nfs/dbraw/zinc/03/29/70/520032970.db2.gz ZBNHLNQOSYGLOU-HZPDHXFCSA-N 1 0 282.476 2.320 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068615948 520101716 /nfs/dbraw/zinc/10/17/16/520101716.db2.gz LIFRNBUQBZURHN-IKGGRYGDSA-N 1 0 292.471 2.217 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000068610924 520129680 /nfs/dbraw/zinc/12/96/80/520129680.db2.gz VBMICWLVPABVGU-GOEBONIOSA-N 1 0 274.412 2.226 10 30 CEEERO CCCOc1cccc([C@@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000052921394 520464115 /nfs/dbraw/zinc/46/41/15/520464115.db2.gz NQIZSANAAJTACJ-MRXNPFEDSA-N 1 0 273.380 2.335 10 30 CEEERO CCCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000050891002 521005471 /nfs/dbraw/zinc/00/54/71/521005471.db2.gz KTMUSMIFSIAOCG-GFCCVEGCSA-N 1 0 276.355 2.444 10 30 CEEERO CCCC[C@@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000050891000 521006457 /nfs/dbraw/zinc/00/64/57/521006457.db2.gz VPKBHOWOQZWYSP-GFCCVEGCSA-N 1 0 276.355 2.444 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000069461721 521297100 /nfs/dbraw/zinc/29/71/00/521297100.db2.gz VIXLUECMIGBBGD-UHFFFAOYSA-N 1 0 258.365 2.257 10 30 CEEERO C[NH2+]Cc1ccc(OC)cc1OCc1cccnc1C#N ZINC000061656633 522120238 /nfs/dbraw/zinc/12/02/38/522120238.db2.gz AJHRYSOYRLNMFO-UHFFFAOYSA-N 1 0 283.331 2.260 10 30 CEEERO CC[C@H]1CCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000049615132 523109092 /nfs/dbraw/zinc/10/90/92/523109092.db2.gz FMWZSWAJEUSMQG-INIZCTEOSA-N 1 0 273.376 2.284 10 30 CEEERO C[N@@H+](Cc1cccc(C#CCO)c1)C[C@@H]1CCCCO1 ZINC000049613704 523291554 /nfs/dbraw/zinc/29/15/54/523291554.db2.gz HDVMMEIYAQURLY-KRWDZBQOSA-N 1 0 273.376 2.031 10 30 CEEERO CN(Cc1cccc(C#CC[NH3+])c1)C(=O)c1ccsc1 ZINC000049586939 523291601 /nfs/dbraw/zinc/29/16/01/523291601.db2.gz VRMYPGAPFLJFKI-UHFFFAOYSA-N 1 0 284.384 2.331 10 30 CEEERO CN(Cc1cccc(C#CC[NH3+])c1)C(=O)CC(C)(C)C ZINC000049586954 523292160 /nfs/dbraw/zinc/29/21/60/523292160.db2.gz YOTCQTPGVYFSBJ-UHFFFAOYSA-N 1 0 272.392 2.391 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000049616055 523516821 /nfs/dbraw/zinc/51/68/21/523516821.db2.gz WSZDTAZOIGLSLX-CQSZACIVSA-N 1 0 273.376 2.271 10 30 CEEERO COCC[N@H+](C)CCNc1cc(Cl)ccc1C#N ZINC000062785680 523613532 /nfs/dbraw/zinc/61/35/32/523613532.db2.gz LZZHYSKYFHNLJA-UHFFFAOYSA-N 1 0 267.760 2.202 10 30 CEEERO COCC[N@H+](Cc1ccc(C#CCCO)cc1)C1CC1 ZINC000049614213 523742907 /nfs/dbraw/zinc/74/29/07/523742907.db2.gz QJMCVJKJBGBTFR-UHFFFAOYSA-N 1 0 273.376 2.031 10 30 CEEERO COCC[N@H+](Cc1ccc(F)cc1C#CCCO)C1CC1 ZINC000049614238 523749061 /nfs/dbraw/zinc/74/90/61/523749061.db2.gz PBMJESAZMPMPAU-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO CC[C@H](C#N)Oc1c(C[NH2+]CCOC)cccc1OC ZINC000062732422 523749748 /nfs/dbraw/zinc/74/97/48/523749748.db2.gz MLCFDJHTZKSRAT-CYBMUJFWSA-N 1 0 278.352 2.112 10 30 CEEERO C[N@H+]1[C@@H]2CC[C@H]1CC(CNc1ccnc(C#N)c1)C2 ZINC000061811796 524030788 /nfs/dbraw/zinc/03/07/88/524030788.db2.gz VZKADSKDCUZMST-PHTAMDTFSA-N 1 0 256.353 2.238 10 30 CEEERO Cc1cccc(C(=O)NCc2ccccc2C#CC[NH3+])c1 ZINC000049586412 524199471 /nfs/dbraw/zinc/19/94/71/524199471.db2.gz AVDCLIYCSVTRPQ-UHFFFAOYSA-N 1 0 278.355 2.235 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])[C@@H]1C ZINC000050568528 524207020 /nfs/dbraw/zinc/20/70/20/524207020.db2.gz GUJBQJRTMUZFEM-CHWSQXEVSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@@H](CC[NH+](C)C)NCc1ccccc1OCC#N ZINC000049554003 524477407 /nfs/dbraw/zinc/47/74/07/524477407.db2.gz OXVSCFFAHHARLI-ZDUSSCGKSA-N 1 0 261.369 2.019 10 30 CEEERO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCCCC1 ZINC000050442370 524759392 /nfs/dbraw/zinc/75/93/92/524759392.db2.gz VXQGWSMMOFBUQZ-NSHDSACASA-N 1 0 289.339 2.148 10 30 CEEERO C[C@]1(C(=O)Nc2cccc(OCCCC#N)c2)CC[NH2+]C1 ZINC000062894205 525223474 /nfs/dbraw/zinc/22/34/74/525223474.db2.gz SWHCYIPICZZVKC-INIZCTEOSA-N 1 0 287.363 2.307 10 30 CEEERO N#C[C@H](c1ccc2ncccc2c1)N1CCC[NH2+]CC1 ZINC000069503036 526510883 /nfs/dbraw/zinc/51/08/83/526510883.db2.gz LARTXMVSFDTRJA-MRXNPFEDSA-N 1 0 266.348 2.095 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000051360411 526575932 /nfs/dbraw/zinc/57/59/32/526575932.db2.gz YTJHSGGXJPIDAV-ZFWWWQNUSA-N 1 0 286.335 2.187 10 30 CEEERO N#Cc1ccc(OCCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000052765293 526672687 /nfs/dbraw/zinc/67/26/87/526672687.db2.gz KPEZWEXXIVQDKW-GFCCVEGCSA-N 1 0 275.308 2.377 10 30 CEEERO N#Cc1ncccc1COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798518 526791570 /nfs/dbraw/zinc/79/15/70/526791570.db2.gz HLEFMZUFFYTNGZ-AWEZNQCLSA-N 1 0 265.316 2.478 10 30 CEEERO Cc1occc1C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586608 526800941 /nfs/dbraw/zinc/80/09/41/526800941.db2.gz MVLMWDIUYFUBBE-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO Cc1occc1C(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586845 526801046 /nfs/dbraw/zinc/80/10/46/526801046.db2.gz ZBKUVTJVEKGBLH-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2cccc(F)c2)cc1 ZINC000049586292 527150556 /nfs/dbraw/zinc/15/05/56/527150556.db2.gz DEXCKCJAOKISHB-UHFFFAOYSA-N 1 0 282.318 2.066 10 30 CEEERO [NH3+]CC#Cc1ccccc1COC[C@@H]1CCCCO1 ZINC000049610752 527155353 /nfs/dbraw/zinc/15/53/53/527155353.db2.gz LQSVTYLGPPHPQE-INIZCTEOSA-N 1 0 259.349 2.083 10 30 CEEERO [NH3+]CC#Cc1cncc(C(=O)Nc2ccccc2Cl)c1 ZINC000049629338 527155968 /nfs/dbraw/zinc/15/59/68/527155968.db2.gz WQBNSHDQNYJTQM-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO C=C[C@@H]1OCC[C@H]1c1nc(CC23CCC[NH+]2CCC3)no1 ZINC000333838291 527519117 /nfs/dbraw/zinc/51/91/17/527519117.db2.gz KQRPSMFWWBKWRW-OLZOCXBDSA-N 1 0 289.379 2.299 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000124904821 529046414 /nfs/dbraw/zinc/04/64/14/529046414.db2.gz TUXJRBAODQADKI-GFCCVEGCSA-N 1 0 276.340 2.276 10 30 CEEERO N#Cc1ccc(N2CC[C@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261577438 623383025 /nfs/dbraw/zinc/38/30/25/623383025.db2.gz OJGRDVGZKRMEOS-AWEZNQCLSA-N 1 0 261.756 2.401 10 30 CEEERO CCC1(CC)CCN(C(NC[C@@H]2CCC[C@H]2O)=[NH+]C)C1 ZINC000261933072 623670230 /nfs/dbraw/zinc/67/02/30/623670230.db2.gz BVCMNLOQUAOVRX-UONOGXRCSA-N 1 0 281.444 2.235 10 30 CEEERO COc1ccc([C@@H](C)[NH2+]CCO[C@H](C)C#N)cc1OC ZINC000312425545 628262845 /nfs/dbraw/zinc/26/28/45/628262845.db2.gz ZJMWTCYGNTXJKA-VXGBXAGGSA-N 1 0 278.352 2.283 10 30 CEEERO N#Cc1sc(N[C@@H]2CCC[C@@H]2C[NH3+])nc1Cl ZINC000236167863 628974610 /nfs/dbraw/zinc/97/46/10/628974610.db2.gz HWUHSLJPLOAQJV-RNFRBKRXSA-N 1 0 256.762 2.207 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000070175104 641642100 /nfs/dbraw/zinc/64/21/00/641642100.db2.gz IMNTWEOGVFBTOC-MNOVXSKESA-N 1 0 274.324 2.030 10 30 CEEERO CC1(CNc2nc3c(cc2C#N)CCC3)CC[NH2+]CC1 ZINC000129480931 651991761 /nfs/dbraw/zinc/99/17/61/651991761.db2.gz SNRNHSBIBKPHST-UHFFFAOYSA-N 1 0 270.380 2.244 10 30 CEEERO C=CCC[C@@H](O)C[N@@H+](CCOC)Cc1cccc(OC)c1 ZINC000036100152 361827301 /nfs/dbraw/zinc/82/73/01/361827301.db2.gz XFZCQMWZBJNDLF-MRXNPFEDSA-N 1 0 293.407 2.471 10 30 CEEERO N#Cc1ccc2c(c1)CC[C@@H]([NH+]1CCC3(CC1)OCCO3)C2 ZINC000036430515 343423649 /nfs/dbraw/zinc/42/36/49/343423649.db2.gz QIYQCEGCANMRCK-QGZVFWFLSA-N 1 0 298.386 2.254 10 30 CEEERO CC[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000124897541 344317353 /nfs/dbraw/zinc/31/73/53/344317353.db2.gz HWYBSOQAFVYIKP-NEPJUHHUSA-N 1 0 274.324 2.030 10 30 CEEERO CN(CCC[NH3+])c1ccc(C(F)(F)F)c(C#N)c1 ZINC000133827302 344370747 /nfs/dbraw/zinc/37/07/47/344370747.db2.gz BWRROZZGYKISCH-UHFFFAOYSA-N 1 0 257.259 2.362 10 30 CEEERO C=CCOc1ccccc1C[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000134438785 344374413 /nfs/dbraw/zinc/37/44/13/344374413.db2.gz CMAYTELCVGBVND-MRXNPFEDSA-N 1 0 290.407 2.062 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000171085768 344495227 /nfs/dbraw/zinc/49/52/27/344495227.db2.gz GADJXQUPGHAUQJ-ZDUSSCGKSA-N 1 0 290.342 2.303 10 30 CEEERO CCCNC(=NN)c1csc(Br)c1 ZINC000233196104 344580912 /nfs/dbraw/zinc/58/09/12/344580912.db2.gz ADSNVTXKFJNTKF-UHFFFAOYSA-N 1 0 262.176 2.131 10 30 CEEERO CC[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251532593 344636624 /nfs/dbraw/zinc/63/66/24/344636624.db2.gz AKVNTQXTDAYQIZ-GXFFZTMASA-N 1 0 274.324 2.030 10 30 CEEERO COc1ccc(C=N[n+]2cnn(-c3ccc(C)cc3)c2)cc1 ZINC000257353754 344647742 /nfs/dbraw/zinc/64/77/42/344647742.db2.gz SYEKFEXZCUYJSL-UHFFFAOYSA-N 1 0 293.350 2.359 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H]([NH3+])C2)c2cccnc12 ZINC000584640587 344971815 /nfs/dbraw/zinc/97/18/15/344971815.db2.gz FPQMWWMZLQHZPA-GFCCVEGCSA-N 1 0 252.321 2.034 10 30 CEEERO N#Cc1cnc2ccccc2c1NCC[NH2+]C1CC1 ZINC000054267914 362521710 /nfs/dbraw/zinc/52/17/10/362521710.db2.gz GOIMACSUQWRAGB-UHFFFAOYSA-N 1 0 252.321 2.270 10 30 CEEERO C=C(C)CN(CC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000057870068 362598181 /nfs/dbraw/zinc/59/81/81/362598181.db2.gz PASQXHXMUFFBNL-CYBMUJFWSA-N 1 0 253.390 2.078 10 30 CEEERO N#Cc1ncccc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594693327 345673222 /nfs/dbraw/zinc/67/32/22/345673222.db2.gz MVFCPOIRJKNZIC-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1Cc1cc(F)ccc1C#N ZINC000085148391 178958776 /nfs/dbraw/zinc/95/87/76/178958776.db2.gz VEYWMRMZZOKSBS-HNNXBMFYSA-N 1 0 261.344 2.271 10 30 CEEERO CC#CCC[C@H](NN)C1([NH+]2CCCCC2)CCCC1 ZINC000097588676 185633506 /nfs/dbraw/zinc/63/35/06/185633506.db2.gz HNIAJOGEFVDRCL-HNNXBMFYSA-N 1 0 263.429 2.421 10 30 CEEERO C[C@H]1CC[C@@H](Nc2ncc(Br)cc2C#N)C[NH2+]1 ZINC000600955487 346716953 /nfs/dbraw/zinc/71/69/53/346716953.db2.gz NLVRITFKOKNLHV-GZMMTYOYSA-N 1 0 295.184 2.268 10 30 CEEERO C[C@H]1CC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600956025 346717316 /nfs/dbraw/zinc/71/73/16/346717316.db2.gz UUCBQLBUVNZEKY-ONGXEEELSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600956022 346717500 /nfs/dbraw/zinc/71/75/00/346717500.db2.gz UUCBQLBUVNZEKY-GXSJLCMTSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000336815860 365857990 /nfs/dbraw/zinc/85/79/90/365857990.db2.gz JIZIESZFEFDORX-SNVBAGLBSA-N 1 0 262.313 2.396 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@]1([NH3+])CCOC1 ZINC000085874162 179194098 /nfs/dbraw/zinc/19/40/98/179194098.db2.gz DIJCWKSZBAUAJR-AWEZNQCLSA-N 1 0 278.377 2.021 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@@]1([NH3+])CCOC1 ZINC000085874166 179194101 /nfs/dbraw/zinc/19/41/01/179194101.db2.gz DIJCWKSZBAUAJR-CQSZACIVSA-N 1 0 278.377 2.021 10 30 CEEERO N#Cc1cc(N[C@@H](CCC[NH3+])c2ccccc2)ccn1 ZINC000336840709 365913874 /nfs/dbraw/zinc/91/38/74/365913874.db2.gz QKNXDFFMZLUQQG-INIZCTEOSA-N 1 0 266.348 2.267 10 30 CEEERO CCC[N@@H+]1CCC[C@@](C#N)(NCC(F)(F)F)CC1 ZINC000086849671 179357493 /nfs/dbraw/zinc/35/74/93/179357493.db2.gz FIADHEKZZKYLEC-LLVKDONJSA-N 1 0 263.307 2.297 10 30 CEEERO C[C@@H]([NH3+])CCC[C@H](C)C(=O)NCc1ccc(C#N)cc1 ZINC000087694806 179471495 /nfs/dbraw/zinc/47/14/95/179471495.db2.gz NLUCWQWAJFTOMC-QWHCGFSZSA-N 1 0 273.380 2.328 10 30 CEEERO N#Cc1ccccc1[C@H]1CN(CC[NH3+])c2ccccc2N1 ZINC000616683766 348559470 /nfs/dbraw/zinc/55/94/70/348559470.db2.gz ILMIRMFIHAESJR-MRXNPFEDSA-N 1 0 278.359 2.490 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089388402 179778147 /nfs/dbraw/zinc/77/81/47/179778147.db2.gz WDYHJFOMYKLXAY-MNOVXSKESA-N 1 0 275.327 2.401 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089451004 179792127 /nfs/dbraw/zinc/79/21/27/179792127.db2.gz JRVDUBPBRQRQPQ-NXEZZACHSA-N 1 0 261.300 2.011 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089456708 179794202 /nfs/dbraw/zinc/79/42/02/179794202.db2.gz OBAFAZSKZWHBPC-TZMCWYRMSA-N 1 0 289.354 2.031 10 30 CEEERO COc1ccc(C[NH2+]C[C@@H](C)N2CCCC2)cc1C#N ZINC000090714349 180028759 /nfs/dbraw/zinc/02/87/59/180028759.db2.gz MNELYXZPBTWLFG-CYBMUJFWSA-N 1 0 273.380 2.141 10 30 CEEERO C=CCNC(=O)[C@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870840 180049453 /nfs/dbraw/zinc/04/94/53/180049453.db2.gz FXHIXXGLYFUMLZ-NSHDSACASA-N 1 0 264.394 2.189 10 30 CEEERO C[C@H](CCO)SCc1ccc(F)cc1C#CC[NH3+] ZINC000091266326 180117333 /nfs/dbraw/zinc/11/73/33/180117333.db2.gz NBCPFUMHTSANPJ-LLVKDONJSA-N 1 0 267.369 2.140 10 30 CEEERO C[NH+](C)[C@H]1CCCN(CCCC[C@@](C)(C#N)NC2CC2)C1 ZINC000091450153 180158234 /nfs/dbraw/zinc/15/82/34/180158234.db2.gz NPWZXPHDUAAHKR-IRXDYDNUSA-N 1 0 292.471 2.217 10 30 CEEERO CN(CC1CCCCC1)C(=O)c1ccncc1C#CC[NH3+] ZINC000091462021 180161329 /nfs/dbraw/zinc/16/13/29/180161329.db2.gz IYYRWAVHLVNVPH-UHFFFAOYSA-N 1 0 285.391 2.044 10 30 CEEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)CC2CC(O)C2)C1 ZINC000091462936 180162133 /nfs/dbraw/zinc/16/21/33/180162133.db2.gz JEAYEDQCLIJZJS-MICXKLAISA-N 1 0 250.386 2.408 10 30 CEEERO CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462163 180162447 /nfs/dbraw/zinc/16/24/47/180162447.db2.gz AMFRPGZUGKMQIK-CJNGLKHVSA-N 1 0 285.391 2.090 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000091540278 180183871 /nfs/dbraw/zinc/18/38/71/180183871.db2.gz ZCOJXQAWRMXUDK-HUUCEWRRSA-N 1 0 288.391 2.337 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091542092 180184132 /nfs/dbraw/zinc/18/41/32/180184132.db2.gz KADUWBRLIVLXRS-WDEREUQCSA-N 1 0 261.300 2.072 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000091543529 180184997 /nfs/dbraw/zinc/18/49/97/180184997.db2.gz PKBVQCGFLLREJL-WPRPVWTQSA-N 1 0 263.728 2.278 10 30 CEEERO C=CCC[C@H]([NH2+]C)C1(N2CCOCC2)CCCC1 ZINC000091646185 180215191 /nfs/dbraw/zinc/21/51/91/180215191.db2.gz NFTRLUMLPYEBSY-AWEZNQCLSA-N 1 0 252.402 2.186 10 30 CEEERO CCc1ccc(C(=O)Nc2ccc(C#CC[NH3+])cc2)o1 ZINC000091775620 180251385 /nfs/dbraw/zinc/25/13/85/180251385.db2.gz QNHACNDMBFUYSC-UHFFFAOYSA-N 1 0 268.316 2.405 10 30 CEEERO CCCN(C(=O)c1ccc(C#N)cn1)C1CCC([NH3+])CC1 ZINC000091852004 180273177 /nfs/dbraw/zinc/27/31/77/180273177.db2.gz HYUATOVTPCNMFO-UHFFFAOYSA-N 1 0 286.379 2.075 10 30 CEEERO Cc1ccc(NC(=O)N2CCCCC2)c(C#CC[NH3+])c1 ZINC000091969676 180294988 /nfs/dbraw/zinc/29/49/88/180294988.db2.gz NIKGRKMXAQRVRV-UHFFFAOYSA-N 1 0 271.364 2.323 10 30 CEEERO C[NH+]1CCC(O)([C@@]2(C#N)CCc3ccccc3C2)CC1 ZINC000091878271 180278950 /nfs/dbraw/zinc/27/89/50/180278950.db2.gz ORBOCKJPFIDLCB-INIZCTEOSA-N 1 0 270.376 2.142 10 30 CEEERO CC1CCC(C#N)([C@@](C)(O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000091879217 180279547 /nfs/dbraw/zinc/27/95/47/180279547.db2.gz ATWBWTJLOIFYSV-FUUBYGMNSA-N 1 0 250.386 2.457 10 30 CEEERO C[N@@H+]1CCC[C@](O)([C@]2(C#N)CCc3ccccc32)CC1 ZINC000091888331 180280905 /nfs/dbraw/zinc/28/09/05/180280905.db2.gz VPRAJOIPOHSABV-DLBZAZTESA-N 1 0 270.376 2.241 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000092087091 180321741 /nfs/dbraw/zinc/32/17/41/180321741.db2.gz ZCICICWXPQIPTM-OKILXGFUSA-N 1 0 273.376 2.127 10 30 CEEERO COc1ccc(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1C#CCO ZINC000092087098 180321803 /nfs/dbraw/zinc/32/18/03/180321803.db2.gz CEDQRZAZNKQENP-KBPBESRZSA-N 1 0 273.376 2.127 10 30 CEEERO CCCCCCCCCCNC(=O)[C@@H]([NH3+])COC ZINC000106267476 186105815 /nfs/dbraw/zinc/10/58/15/186105815.db2.gz RIYFYRDLVYPLRM-ZDUSSCGKSA-N 1 0 258.406 2.217 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])CC1 ZINC000110817730 186327327 /nfs/dbraw/zinc/32/73/27/186327327.db2.gz AOQNKJWTGSFXSL-ZDUSSCGKSA-N 1 0 288.366 2.398 10 30 CEEERO CCC[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)NCC#N ZINC000110961828 186338091 /nfs/dbraw/zinc/33/80/91/186338091.db2.gz OQFOYHJYCQQCSM-ZDUSSCGKSA-N 1 0 289.379 2.074 10 30 CEEERO CN(CCC[NH+](C)C)CCOc1ccc(CC#N)cc1 ZINC000111137120 186357701 /nfs/dbraw/zinc/35/77/01/186357701.db2.gz XCPAPPDUHMXHGK-UHFFFAOYSA-N 1 0 275.396 2.015 10 30 CEEERO C[N@@H+](Cc1sccc1C#CCCO)C[C@@H]1CCCOC1 ZINC000111168264 186363925 /nfs/dbraw/zinc/36/39/25/186363925.db2.gz SPDALOVVLVRNJA-AWEZNQCLSA-N 1 0 293.432 2.340 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC(CC[NH3+])CC2)n1 ZINC000070188717 363051126 /nfs/dbraw/zinc/05/11/26/363051126.db2.gz IWPPIBDNOGMZHD-UHFFFAOYSA-N 1 0 258.369 2.135 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000072878266 363175952 /nfs/dbraw/zinc/17/59/52/363175952.db2.gz OMNGUVSQHMWZPI-VHSXEESVSA-N 1 0 268.307 2.306 10 30 CEEERO CN(CC(C)(C)C[NH3+])c1c(F)cc(C#N)cc1F ZINC000133707573 187702155 /nfs/dbraw/zinc/70/21/55/187702155.db2.gz RXGMNOVFZXTICP-UHFFFAOYSA-N 1 0 253.296 2.258 10 30 CEEERO N#Cc1c(Br)cccc1N1CCC[C@H]([NH3+])C1 ZINC000165074951 283072466 /nfs/dbraw/zinc/07/24/66/283072466.db2.gz HEOAXTFXXFXJMH-VIFPVBQESA-N 1 0 280.169 2.248 10 30 CEEERO CC(C)(C)OC(=O)N1CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675060410 540080681 /nfs/dbraw/zinc/08/06/81/540080681.db2.gz YNBDDQSHPRSSHA-OCCSQVGLSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1cc(N2CC[C@@H]([NH3+])C2)ccc1C(F)(F)F ZINC000164073991 283105912 /nfs/dbraw/zinc/10/59/12/283105912.db2.gz KFXPRGNZOSDCQB-SECBINFHSA-N 1 0 255.243 2.114 10 30 CEEERO N#Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1C(F)(F)F ZINC000335308622 283106364 /nfs/dbraw/zinc/10/63/64/283106364.db2.gz NEIBJXWPFLJPES-RNCFNFMXSA-N 1 0 281.281 2.375 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)CCCC2 ZINC000262338267 283117011 /nfs/dbraw/zinc/11/70/11/283117011.db2.gz UAHOECFLJOJBDP-BPUTZDHNSA-N 1 0 296.418 2.396 10 30 CEEERO N#Cc1ccnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1Cl ZINC000261570635 283224277 /nfs/dbraw/zinc/22/42/77/283224277.db2.gz PEVFUGFHWJJLMR-SRVKXCTJSA-N 1 0 276.771 2.170 10 30 CEEERO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1[NH+](C)C ZINC000336087467 212891795 /nfs/dbraw/zinc/89/17/95/212891795.db2.gz VSHKHHCXMFATDQ-ABAIWWIYSA-N 1 0 261.344 2.079 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000150850984 366601160 /nfs/dbraw/zinc/60/11/60/366601160.db2.gz WYBMFPNZUFNVBQ-WFASDCNBSA-N 1 0 286.379 2.408 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc(C#N)c1 ZINC000083550984 363780276 /nfs/dbraw/zinc/78/02/76/363780276.db2.gz WZHXGNMVPYZCIE-GDBMZVCRSA-N 1 0 285.391 2.106 10 30 CEEERO N#Cc1cc(F)cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000019148323 361520857 /nfs/dbraw/zinc/52/08/57/361520857.db2.gz JSVJBGATLPJZHB-HNNXBMFYSA-N 1 0 287.338 2.008 10 30 CEEERO C[C@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@@H]1[NH3+] ZINC000094342357 364269644 /nfs/dbraw/zinc/26/96/44/364269644.db2.gz KHWGPQBROORQHT-FZMZJTMJSA-N 1 0 266.348 2.280 10 30 CEEERO C=CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000116855368 365074110 /nfs/dbraw/zinc/07/41/10/365074110.db2.gz RFGQVRWKAYEUSO-UKRRQHHQSA-N 1 0 260.381 2.240 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000638873529 370811616 /nfs/dbraw/zinc/81/16/16/370811616.db2.gz BKGDTHGPGPCNHI-CHWSQXEVSA-N 1 0 252.402 2.470 10 30 CEEERO C[NH+](C)C[C@H](NCc1nc(C#N)cs1)c1ccccc1 ZINC000352835890 369903704 /nfs/dbraw/zinc/90/37/04/369903704.db2.gz QPMQRMWQAVITMO-AWEZNQCLSA-N 1 0 286.404 2.407 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000247000062 371043404 /nfs/dbraw/zinc/04/34/04/371043404.db2.gz PXUYADNXXGKCKK-IRXDYDNUSA-N 1 0 297.402 2.451 10 30 CEEERO Cc1nc(NC[C@H]2CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261566969 371651644 /nfs/dbraw/zinc/65/16/44/371651644.db2.gz IJRKENMCWKOFTO-JTQLQIEISA-N 1 0 264.760 2.327 10 30 CEEERO Cc1nc(N2C[C@@H](C[NH3+])C[C@H]2C)c(Cl)cc1C#N ZINC000261578038 371659349 /nfs/dbraw/zinc/65/93/49/371659349.db2.gz OSNQBTZZLIWWSS-PSASIEDQSA-N 1 0 264.760 2.089 10 30 CEEERO Cc1nc(N2CCC[C@H]([C@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261643286 371689890 /nfs/dbraw/zinc/68/98/90/371689890.db2.gz XDLKPPQDYVFQHC-ONGXEEELSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)cc1F ZINC000361704337 372031273 /nfs/dbraw/zinc/03/12/73/372031273.db2.gz CHVMKFKJMPYUNU-CQSZACIVSA-N 1 0 262.328 2.434 10 30 CEEERO C#CCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000192094946 533020283 /nfs/dbraw/zinc/02/02/83/533020283.db2.gz AJPSZYIMOFWLEN-HNNXBMFYSA-N 1 0 258.365 2.209 10 30 CEEERO CCCN[C@]1(C#N)CC[C@H](N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000093802989 184723375 /nfs/dbraw/zinc/72/33/75/184723375.db2.gz SHJCAUBEWFHNGD-YESZJQIVSA-N 1 0 292.471 2.217 10 30 CEEERO N#Cc1ccc(N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000094592254 184822177 /nfs/dbraw/zinc/82/21/77/184822177.db2.gz HMWZUZDCVVUHRL-LBPRGKRZSA-N 1 0 260.297 2.020 10 30 CEEERO C[NH2+]CCC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094592276 184822237 /nfs/dbraw/zinc/82/22/37/184822237.db2.gz AIRPBMRNSKMXNA-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO CN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C[NH3+] ZINC000094592320 184822263 /nfs/dbraw/zinc/82/22/63/184822263.db2.gz JCNRMUGSAQCZEJ-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccc(O[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000094593562 184823426 /nfs/dbraw/zinc/82/34/26/184823426.db2.gz NMQGSNPDRZVMIM-SMDDNHRTSA-N 1 0 275.308 2.363 10 30 CEEERO C[C@@H]1CC[C@H](C[NH3+])CN1c1c(C#N)nnc2ccccc21 ZINC000085921057 135038781 /nfs/dbraw/zinc/03/87/81/135038781.db2.gz AHXUXIUCAWFWIN-VXGBXAGGSA-N 1 0 281.363 2.065 10 30 CEEERO C=CCOc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237998451 394493824 /nfs/dbraw/zinc/49/38/24/394493824.db2.gz LCSIRAJVCNRBHJ-NWDGAFQWSA-N 1 0 260.337 2.317 10 30 CEEERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(Br)cc1C#N ZINC000261575157 394602856 /nfs/dbraw/zinc/60/28/56/394602856.db2.gz JQBQBYQNAHEYSJ-KWQFWETISA-N 1 0 280.169 2.247 10 30 CEEERO C=C(C)C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195289142 395463991 /nfs/dbraw/zinc/46/39/91/395463991.db2.gz GKAANOJWEFDHQU-MRXNPFEDSA-N 1 0 259.397 2.411 10 30 CEEERO N#Cc1ccc(NC[C@@H]2[NH2+]CCc3ccccc32)nc1 ZINC000261734412 153826091 /nfs/dbraw/zinc/82/60/91/153826091.db2.gz LJIAUYBSUYPLDO-HNNXBMFYSA-N 1 0 264.332 2.252 10 30 CEEERO CCO[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C12CCOCC2 ZINC000333733875 286489941 /nfs/dbraw/zinc/48/99/41/286489941.db2.gz UNAMVGRUEDWDMK-KGLIPLIRSA-N 1 0 278.396 2.244 10 30 CEEERO C#CC[NH+]1CCC(Nc2cc(F)ccc2F)CC1 ZINC000037198438 173024885 /nfs/dbraw/zinc/02/48/85/173024885.db2.gz JKIPNQFPOUZHKF-UHFFFAOYSA-N 1 0 250.292 2.474 10 30 CEEERO COc1cc(C[C@@H](C)[NH3+])cc(Cl)c1OCC#N ZINC000037722983 173641426 /nfs/dbraw/zinc/64/14/26/173641426.db2.gz KSMITFZMSFEGAX-MRVPVSSYSA-N 1 0 254.717 2.141 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CCC#N)C(C)C ZINC000043340883 175014525 /nfs/dbraw/zinc/01/45/25/175014525.db2.gz UMEHYYVXAXSTBN-ZFWWWQNUSA-N 1 0 260.385 2.484 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355751 175023354 /nfs/dbraw/zinc/02/33/54/175023354.db2.gz UHCGYIADQRJHGK-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO CCN(Cc1ccc(C#CC[NH3+])s1)C[C@@H](C)C#N ZINC000043684141 175093176 /nfs/dbraw/zinc/09/31/76/175093176.db2.gz JVCRCORLUNWSTM-LBPRGKRZSA-N 1 0 261.394 2.040 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1ccccc1C#CC[NH3+] ZINC000045091833 175305653 /nfs/dbraw/zinc/30/56/53/175305653.db2.gz GBKQNVUYRZATAA-UHFFFAOYSA-N 1 0 258.365 2.115 10 30 CEEERO CC[C@@H](C)[N@H+](CCOC)CC[C@@](C)(C#N)NC1CC1 ZINC000045182726 175325613 /nfs/dbraw/zinc/32/56/13/175325613.db2.gz XNWDEMDYQXMROI-HIFRSBDPSA-N 1 0 267.417 2.158 10 30 CEEERO CC[NH+]1CCC(N(C)CC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045182545 175325729 /nfs/dbraw/zinc/32/57/29/175325729.db2.gz ILKJDFMFLDAODW-INIZCTEOSA-N 1 0 280.460 2.073 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[N@H+](C)C1CCN(C)CC1 ZINC000045307918 175356717 /nfs/dbraw/zinc/35/67/17/175356717.db2.gz WTNCYWHRXRVMGD-KRWDZBQOSA-N 1 0 294.487 2.463 10 30 CEEERO CCCO[C@@H]1CCC[N@H+](CCC[C@@](C)(C#N)NC)C1 ZINC000045320327 175359198 /nfs/dbraw/zinc/35/91/98/175359198.db2.gz ORSWYRQDCWMWGM-CABCVRRESA-N 1 0 267.417 2.159 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658239197 415270266 /nfs/dbraw/zinc/27/02/66/415270266.db2.gz BUVFONSXNZXFCG-BFHYXJOUSA-N 1 0 250.386 2.189 10 30 CEEERO CN(C(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000070578318 175993981 /nfs/dbraw/zinc/99/39/81/175993981.db2.gz JYEQLLUNEWVCPA-STQMWFEESA-N 1 0 257.337 2.039 10 30 CEEERO N#CCc1ccc(N2CCC[C@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071041487 176027857 /nfs/dbraw/zinc/02/78/57/176027857.db2.gz CIYXOJDYUZOLNM-HNNXBMFYSA-N 1 0 269.348 2.000 10 30 CEEERO C=CCCOc1c(C[NH2+]CCOC)cccc1OC ZINC000071274985 176105955 /nfs/dbraw/zinc/10/59/55/176105955.db2.gz GHTPTCLOBNLRFN-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO CC(C)CCC(=O)NCc1cc(C#CC[NH3+])cs1 ZINC000071322320 176122748 /nfs/dbraw/zinc/12/27/48/176122748.db2.gz OWHACQMKHOTSOV-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1C#N ZINC000071390137 176148588 /nfs/dbraw/zinc/14/85/88/176148588.db2.gz PHQULNAYFATADP-ZDUSSCGKSA-N 1 0 280.375 2.494 10 30 CEEERO N#C[C@H]1CCC[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401508 176153940 /nfs/dbraw/zinc/15/39/40/176153940.db2.gz QSAOQUHLHGILFD-QLFBSQMISA-N 1 0 271.364 2.275 10 30 CEEERO C[NH+](C)CCN1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681112 176245757 /nfs/dbraw/zinc/24/57/57/176245757.db2.gz MRADQLWNBOBATD-LLVKDONJSA-N 1 0 297.280 2.287 10 30 CEEERO C[C@H](C#N)CNC(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079293602 177465267 /nfs/dbraw/zinc/46/52/67/177465267.db2.gz ZHEUDBJRHDQJIG-VXGBXAGGSA-N 1 0 253.390 2.054 10 30 CEEERO C[C@@H]1CN(c2c(F)cc(C#N)cc2F)[C@H](C)C[NH2+]1 ZINC000147793129 274360730 /nfs/dbraw/zinc/36/07/30/274360730.db2.gz YJIWWPKTKSJUJZ-RKDXNWHRSA-N 1 0 251.280 2.023 10 30 CEEERO N#Cc1cc(NCC2([NH3+])CCC2)nc2ccccc12 ZINC000236215147 274921041 /nfs/dbraw/zinc/92/10/41/274921041.db2.gz SIPBWONAJNLKMQ-UHFFFAOYSA-N 1 0 252.321 2.400 10 30 CEEERO C[C@@H]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261637927 277757743 /nfs/dbraw/zinc/75/77/43/277757743.db2.gz IVKOGRTUYMROPE-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@H]1[NH+](C)C ZINC000287712842 278810796 /nfs/dbraw/zinc/81/07/96/278810796.db2.gz DYWDYPMWDVJNLK-SFYZADRCSA-N 1 0 270.789 2.054 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000132471768 279408888 /nfs/dbraw/zinc/40/88/88/279408888.db2.gz XXGUJACTRLAPII-WCBMZHEXSA-N 1 0 284.285 2.146 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(F)c2C#N)C1 ZINC000249292369 280391896 /nfs/dbraw/zinc/39/18/96/280391896.db2.gz WQXFPBPYMNEYGT-IAQYHMDHSA-N 1 0 289.354 2.156 10 30 CEEERO N#Cc1ccc(NC[C@H]2C[NH2+]CCCO2)cc1Cl ZINC000390134196 321893613 /nfs/dbraw/zinc/89/36/13/321893613.db2.gz QWWTUINBGUVQMQ-GFCCVEGCSA-N 1 0 265.744 2.002 10 30 CEEERO C[NH+]=C(NC1CC1)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000261626498 329973497 /nfs/dbraw/zinc/97/34/97/329973497.db2.gz CKZOLIGRUWQSKU-AULYBMBSSA-N 1 0 291.370 2.408 10 30 CEEERO Cc1cccnc1C(C)(C)CNC(=[NH2+])NC(C)(C)C ZINC000262412680 330008754 /nfs/dbraw/zinc/00/87/54/330008754.db2.gz YBFKSZNJZCMEJL-UHFFFAOYSA-N 1 0 262.401 2.370 10 30 CEEERO CN1CC[NH+]=C1NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000262668903 330025659 /nfs/dbraw/zinc/02/56/59/330025659.db2.gz QCKCZDDEZQTEFH-VHSXEESVSA-N 1 0 263.307 2.246 10 30 CEEERO CCCOC1(CNC2=[NH+]C[C@@H](C)N2)CCCCC1 ZINC000262670986 330025919 /nfs/dbraw/zinc/02/59/19/330025919.db2.gz QYMPUXOLTXUYBG-GFCCVEGCSA-N 1 0 253.390 2.053 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000044387051 330328008 /nfs/dbraw/zinc/32/80/08/330328008.db2.gz WWHJAAJYALYLNR-ZDUSSCGKSA-N 1 0 263.385 2.061 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611466 519739211 /nfs/dbraw/zinc/73/92/11/519739211.db2.gz QTEMECFHDVNLEN-ZBFHGGJFSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652790 520030563 /nfs/dbraw/zinc/03/05/63/520030563.db2.gz VMJJNSJBPJYMDM-HZPDHXFCSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070135 520102322 /nfs/dbraw/zinc/10/23/22/520102322.db2.gz YRQNMVZQJXXIQV-IRXDYDNUSA-N 1 0 294.487 2.465 10 30 CEEERO C#CCCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730514 518251317 /nfs/dbraw/zinc/25/13/17/518251317.db2.gz PYZQWDHOFSBYRM-UHFFFAOYSA-N 1 0 267.756 2.478 10 30 CEEERO C#CCOc1ccccc1C[NH2+][C@H](CN(C)C)C(C)C ZINC000049197070 518334604 /nfs/dbraw/zinc/33/46/04/518334604.db2.gz FXPSVLCEYCAFPM-MRXNPFEDSA-N 1 0 274.408 2.374 10 30 CEEERO C=C(Br)C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000049555745 518583341 /nfs/dbraw/zinc/58/33/41/518583341.db2.gz UQDZIHLWKUQTFT-NSHDSACASA-N 1 0 263.223 2.461 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)CC[NH2+]CC)cc1 ZINC000061293990 519030066 /nfs/dbraw/zinc/03/00/66/519030066.db2.gz MQKKCTYFIDQBIG-UHFFFAOYSA-N 1 0 276.380 2.209 10 30 CEEERO CC(C)CN(CCC#N)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052882290 519714966 /nfs/dbraw/zinc/71/49/66/519714966.db2.gz FWOVEXDRGDAXJZ-INIZCTEOSA-N 1 0 273.380 2.259 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616202 519735561 /nfs/dbraw/zinc/73/55/61/519735561.db2.gz GMFFVRIQBIIYPX-HZPDHXFCSA-N 1 0 280.460 2.073 10 30 CEEERO CC(C)C[NH2+]Cc1cc2c(cc1O[C@@H](C)C#N)OCO2 ZINC000062733966 519746969 /nfs/dbraw/zinc/74/69/69/519746969.db2.gz UDQDIDRCADKYJH-NSHDSACASA-N 1 0 276.336 2.452 10 30 CEEERO CC(C)[C@@H](C)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049618566 519791180 /nfs/dbraw/zinc/79/11/80/519791180.db2.gz OUZYSFBSRCTRQH-OAHLLOKOSA-N 1 0 275.392 2.386 10 30 CEEERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1ccccc1OCC#N ZINC000049198036 519793856 /nfs/dbraw/zinc/79/38/56/519793856.db2.gz ZNFCPCKVYVDRTQ-OAHLLOKOSA-N 1 0 275.396 2.265 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615902 520034327 /nfs/dbraw/zinc/03/43/27/520034327.db2.gz LYRXMJWXGBHXTJ-YESZJQIVSA-N 1 0 294.487 2.463 10 30 CEEERO CCN[C@@](C)(C#N)CCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070199 520129198 /nfs/dbraw/zinc/12/91/98/520129198.db2.gz PHGZXBJOEQGIPC-IAGOWNOFSA-N 1 0 294.487 2.465 10 30 CEEERO CCN(CC1CC1)C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000069263406 520953597 /nfs/dbraw/zinc/95/35/97/520953597.db2.gz PJUKDHWLCZQHFR-UHFFFAOYSA-N 1 0 274.339 2.008 10 30 CEEERO CC[C@@H](C)C(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586850 521902804 /nfs/dbraw/zinc/90/28/04/521902804.db2.gz MBCQAJDCYVZNBG-CYBMUJFWSA-N 1 0 258.365 2.001 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(CC[C@](C)(C#N)NC(C)C)CC1 ZINC000055069999 522120923 /nfs/dbraw/zinc/12/09/23/522120923.db2.gz XQGUVBNWBRQTGK-HZPDHXFCSA-N 1 0 280.460 2.073 10 30 CEEERO CC[C@H]([NH3+])Cc1nccn1Cc1cccc(C#N)c1 ZINC000062803103 522336135 /nfs/dbraw/zinc/33/61/35/522336135.db2.gz OXJZTXHFCZHQAT-AWEZNQCLSA-N 1 0 254.337 2.083 10 30 CEEERO COc1cc(C[NH3+])c([N+](=O)[O-])cc1OCCCCC#N ZINC000049578303 522361869 /nfs/dbraw/zinc/36/18/69/522361869.db2.gz ZFAYPYXWRMMYEQ-UHFFFAOYSA-N 1 0 279.296 2.135 10 30 CEEERO CC[C@@H](NC(=O)c1cc(C#CC[NH3+])ccc1F)C(C)C ZINC000049148556 522774251 /nfs/dbraw/zinc/77/42/51/522774251.db2.gz WLHADLWBCWTAKI-OAHLLOKOSA-N 1 0 276.355 2.300 10 30 CEEERO C[N@H+](Cc1cccc(F)c1)CC1(C=O)CCOCC1 ZINC000052179942 523310859 /nfs/dbraw/zinc/31/08/59/523310859.db2.gz UKRIWKYDQJOOMP-UHFFFAOYSA-N 1 0 265.328 2.253 10 30 CEEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)c1cccs1 ZINC000049586837 523356091 /nfs/dbraw/zinc/35/60/91/523356091.db2.gz OPLZGEPGVPOWPA-UHFFFAOYSA-N 1 0 284.384 2.331 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CN(C)Cc1ccoc1 ZINC000049609735 523512951 /nfs/dbraw/zinc/51/29/51/523512951.db2.gz ITNOAGGLLQJUDY-UHFFFAOYSA-N 1 0 284.359 2.230 10 30 CEEERO CC[C@H](C)[N@H+](C)Cc1ccc(OC)c(C#CCO)c1 ZINC000049617209 523922365 /nfs/dbraw/zinc/92/23/65/523922365.db2.gz TUSFXLZWWMQKEK-ZDUSSCGKSA-N 1 0 261.365 2.269 10 30 CEEERO COCC[NH2+]Cc1ccc(O[C@@H](C)C#N)c(Cl)c1 ZINC000062730584 523952694 /nfs/dbraw/zinc/95/26/94/523952694.db2.gz SPARSXIOWFSDDZ-JTQLQIEISA-N 1 0 268.744 2.367 10 30 CEEERO COCC[NH2+]Cc1ccc(OCC#N)c(Br)c1 ZINC000062728254 523953663 /nfs/dbraw/zinc/95/36/63/523953663.db2.gz FXMCEDZOILPNDO-UHFFFAOYSA-N 1 0 299.168 2.087 10 30 CEEERO COc1ccc(CSc2cnn(C)c2)cc1C#CC[NH3+] ZINC000049612938 524127554 /nfs/dbraw/zinc/12/75/54/524127554.db2.gz XUUKCZZUOJYGSS-UHFFFAOYSA-N 1 0 287.388 2.031 10 30 CEEERO COc1ccc(CSc2ncc(C)cn2)cc1C#CC[NH3+] ZINC000049612959 524128158 /nfs/dbraw/zinc/12/81/58/524128158.db2.gz HAFNNPCQMAPHBC-UHFFFAOYSA-N 1 0 299.399 2.396 10 30 CEEERO C[C@H](C[C@](C)(C#N)NC1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613171 524653372 /nfs/dbraw/zinc/65/33/72/524653372.db2.gz KTJFLADIONBBCX-RHSMWYFYSA-N 1 0 292.471 2.215 10 30 CEEERO C[C@@H](NC(=O)C(C)(C)C)c1cccc(C#CC[NH3+])c1 ZINC000049587117 525052940 /nfs/dbraw/zinc/05/29/40/525052940.db2.gz SRBHAAYIFQAUJN-GFCCVEGCSA-N 1 0 258.365 2.220 10 30 CEEERO Cc1cc(SCc2ccc(C#CC[NH3+])s2)n(C)n1 ZINC000052311574 525437498 /nfs/dbraw/zinc/43/74/98/525437498.db2.gz ZULUDGFXUABOKY-UHFFFAOYSA-N 1 0 277.418 2.393 10 30 CEEERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000183202137 525522832 /nfs/dbraw/zinc/52/28/32/525522832.db2.gz VZPZXKFCHKGUPU-HUBLWGQQSA-N 1 0 287.363 2.042 10 30 CEEERO C[C@@]([NH3+])(C(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000052882026 525746407 /nfs/dbraw/zinc/74/64/07/525746407.db2.gz LLIPOZDXSKMKHE-KRWDZBQOSA-N 1 0 279.343 2.049 10 30 CEEERO Cc1nnc(SCc2cccc(C#CC[NH3+])c2)s1 ZINC000049611578 526386374 /nfs/dbraw/zinc/38/63/74/526386374.db2.gz AQKAWMBTSHWGHM-UHFFFAOYSA-N 1 0 275.402 2.449 10 30 CEEERO N#Cc1cc(NC2CC[NH2+]CC2)nc2ccccc12 ZINC000068770752 526569794 /nfs/dbraw/zinc/56/97/94/526569794.db2.gz XEGRFKXIFTXGSX-UHFFFAOYSA-N 1 0 252.321 2.270 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)CCCC[NH3+] ZINC000070201860 526635675 /nfs/dbraw/zinc/63/56/75/526635675.db2.gz OVTWQWCTRGEEBC-UHFFFAOYSA-N 1 0 251.717 2.279 10 30 CEEERO N#Cc1ccc(F)c(Cn2ccnc2C[NH2+]C2CC2)c1 ZINC000051015146 526640881 /nfs/dbraw/zinc/64/08/81/526640881.db2.gz DJYKQVJQLKBDMC-UHFFFAOYSA-N 1 0 270.311 2.194 10 30 CEEERO N#Cc1ccc(NCc2ccc(CC[NH3+])cc2)nc1 ZINC000052899388 526663746 /nfs/dbraw/zinc/66/37/46/526663746.db2.gz GOOQXWJKJZDQRS-UHFFFAOYSA-N 1 0 252.321 2.067 10 30 CEEERO N#Cc1cccnc1N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190652 526751226 /nfs/dbraw/zinc/75/12/26/526751226.db2.gz WOIFRUJCFRQMIS-UONOGXRCSA-N 1 0 256.353 2.064 10 30 CEEERO N#Cc1cnc2ccccc2c1OC[C@H]1CCC[NH2+]C1 ZINC000051883176 526777403 /nfs/dbraw/zinc/77/74/03/526777403.db2.gz SUZJJZNEKQFMAH-LBPRGKRZSA-N 1 0 267.332 2.485 10 30 CEEERO [NH3+]CC#Cc1cc(COC[C@@H]2CCCCO2)ccc1F ZINC000049610768 527147604 /nfs/dbraw/zinc/14/76/04/527147604.db2.gz JKZCVEDBXKEONZ-HNNXBMFYSA-N 1 0 277.339 2.222 10 30 CEEERO [NH3+]CC#Cc1ccccc1COC[C@H]1CCCCO1 ZINC000049610753 527154586 /nfs/dbraw/zinc/15/45/86/527154586.db2.gz LQSVTYLGPPHPQE-MRXNPFEDSA-N 1 0 259.349 2.083 10 30 CEEERO OCCC#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000049616792 527531120 /nfs/dbraw/zinc/53/11/20/527531120.db2.gz JHERXWLMPNWHLM-GOSISDBHSA-N 1 0 287.403 2.157 10 30 CEEERO O=C(C#Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052736 527663188 /nfs/dbraw/zinc/66/31/88/527663188.db2.gz XQAKXNRZWTXMNK-UHFFFAOYSA-N 1 0 276.339 2.323 10 30 CEEERO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@H]1CCC[NH2+]C1 ZINC000235554113 625642007 /nfs/dbraw/zinc/64/20/07/625642007.db2.gz ZVCLQYLFAHSHJE-YUMQZZPRSA-N 1 0 270.789 2.468 10 30 CEEERO C[C@@H]([NH3+])CN(C)c1ccc(C#N)cc1Br ZINC000309066006 624490009 /nfs/dbraw/zinc/49/00/09/624490009.db2.gz ZKHGLHDLEXUARU-MRVPVSSYSA-N 1 0 268.158 2.104 10 30 CEEERO COc1ccc([C@H](C)[NH2+]CCO[C@@H](C)C#N)cc1OC ZINC000312425544 628262567 /nfs/dbraw/zinc/26/25/67/628262567.db2.gz ZJMWTCYGNTXJKA-RYUDHWBXSA-N 1 0 278.352 2.283 10 30 CEEERO Cc1nnc(NC[C@@H]2[NH2+]CCc3ccccc32)c(C#N)c1C ZINC000262442150 630928814 /nfs/dbraw/zinc/92/88/14/630928814.db2.gz GWWJCISUODOFAG-INIZCTEOSA-N 1 0 293.374 2.264 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000229608347 639710589 /nfs/dbraw/zinc/71/05/89/639710589.db2.gz WBOHCEFIADKQJG-SMDDNHRTSA-N 1 0 270.380 2.384 10 30 CEEERO C#CCC[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000070245677 641650746 /nfs/dbraw/zinc/65/07/46/641650746.db2.gz PWLQDNPEQDSCIQ-UHFFFAOYSA-N 1 0 253.729 2.470 10 30 CEEERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CC[C@@H]1[NH3+] ZINC000122970856 648718011 /nfs/dbraw/zinc/71/80/11/648718011.db2.gz ABUMILFGWCCQJN-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccc(OCCCN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000019364503 649309470 /nfs/dbraw/zinc/30/94/70/649309470.db2.gz WRHJLGKIBSTAJD-KRWDZBQOSA-N 1 0 299.418 2.497 10 30 CEEERO C#CCC[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000132264877 652508825 /nfs/dbraw/zinc/50/88/25/652508825.db2.gz FGUWZTRWUBHTMM-CYBMUJFWSA-N 1 0 266.385 2.246 10 30 CEEERO C=C[C@@](C)(O)C[N@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036032083 361825059 /nfs/dbraw/zinc/82/50/59/361825059.db2.gz ZJLHQZNWAGLDTQ-QGZVFWFLSA-N 1 0 293.407 2.471 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccsc1)CC(C)C ZINC000036099231 361827903 /nfs/dbraw/zinc/82/79/03/361827903.db2.gz MIZXMZKLCZHHOM-HNNXBMFYSA-N 1 0 281.421 2.217 10 30 CEEERO C[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749537 361928460 /nfs/dbraw/zinc/92/84/60/361928460.db2.gz VYQFRGVGQFCSTJ-SWLSCSKDSA-N 1 0 276.380 2.385 10 30 CEEERO C[C@H](C#N)Oc1ccc(Br)cc1C[NH3+] ZINC000043513358 362146185 /nfs/dbraw/zinc/14/61/85/362146185.db2.gz OSOMUAHBBFZDKY-SSDOTTSWSA-N 1 0 255.115 2.199 10 30 CEEERO CC[NH2+]CCCNc1nc2c(cc1C#N)CCCC2 ZINC000043409826 362144337 /nfs/dbraw/zinc/14/43/37/362144337.db2.gz YTNUYCRFKIGQCZ-UHFFFAOYSA-N 1 0 258.369 2.244 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1cccc(C#N)c1[N+](=O)[O-] ZINC000126664858 187254450 /nfs/dbraw/zinc/25/44/50/187254450.db2.gz MLXFMHNDRDLRKX-LBPRGKRZSA-N 1 0 276.340 2.276 10 30 CEEERO CCN(CC[NH3+])c1ccc(C#N)c(C(F)(F)F)c1 ZINC000122824586 344308122 /nfs/dbraw/zinc/30/81/22/344308122.db2.gz JWYSQDJYBJWYDP-UHFFFAOYSA-N 1 0 257.259 2.362 10 30 CEEERO CCN(CC[NH3+])c1ccc(C(F)(F)F)c(C#N)c1 ZINC000122830379 344308197 /nfs/dbraw/zinc/30/81/97/344308197.db2.gz FFISMXUCHQGCFL-UHFFFAOYSA-N 1 0 257.259 2.362 10 30 CEEERO Cc1cc(C#N)ccc1CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000165499105 344474154 /nfs/dbraw/zinc/47/41/54/344474154.db2.gz RDMJITSIBWJEDJ-XJKSGUPXSA-N 1 0 257.381 2.249 10 30 CEEERO C#CC[C@@H]([NH3+])c1csc(I)c1 ZINC000168682472 344480987 /nfs/dbraw/zinc/48/09/87/344480987.db2.gz SEXSCYIGNVSFPR-SSDOTTSWSA-N 1 0 277.130 2.376 10 30 CEEERO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052759628 362472614 /nfs/dbraw/zinc/47/26/14/362472614.db2.gz ADPBOZCEQKSSDC-HNNXBMFYSA-N 1 0 274.364 2.174 10 30 CEEERO CC[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252850010 344641817 /nfs/dbraw/zinc/64/18/17/344641817.db2.gz IPEXFMCDQABCTK-CMPLNLGQSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1cccc(C#N)c1 ZINC000305802954 344711117 /nfs/dbraw/zinc/71/11/17/344711117.db2.gz YFUKIIIZEKBZTA-GFCCVEGCSA-N 1 0 276.405 2.467 10 30 CEEERO C[C@@H]([NH3+])COc1ccc(Br)cc1C#N ZINC000306254215 344712660 /nfs/dbraw/zinc/71/26/60/344712660.db2.gz WEWTYUHYLOKQIS-SSDOTTSWSA-N 1 0 255.115 2.047 10 30 CEEERO C#CCNC(=O)[C@@H](C)Sc1cccc([C@@H](C)[NH2+]C)c1 ZINC000084123925 178797877 /nfs/dbraw/zinc/79/78/77/178797877.db2.gz TUUIRCUGCGAYNS-VXGBXAGGSA-N 1 0 276.405 2.197 10 30 CEEERO C[C@@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085361729 179033605 /nfs/dbraw/zinc/03/36/05/179033605.db2.gz CUSWBZVSVMUONM-UGFHNGPFSA-N 1 0 271.364 2.253 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085364264 179035405 /nfs/dbraw/zinc/03/54/05/179035405.db2.gz RWMRBRUHXZOWLI-YPMHNXCESA-N 1 0 275.327 2.462 10 30 CEEERO C[NH2+]CCOCCNc1ccc(C(F)(F)F)cc1C#N ZINC000600950686 346714824 /nfs/dbraw/zinc/71/48/24/346714824.db2.gz CLCGYAWGHLTWBD-UHFFFAOYSA-N 1 0 287.285 2.225 10 30 CEEERO C[C@@H]1CC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600956023 346717374 /nfs/dbraw/zinc/71/73/74/346717374.db2.gz UUCBQLBUVNZEKY-KOLCDFICSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CN(c2ccc(Br)cc2C#N)C[C@@H]1C[NH3+] ZINC000600961567 346719912 /nfs/dbraw/zinc/71/99/12/346719912.db2.gz SNZNYUOWAZCQLX-ONGXEEELSA-N 1 0 294.196 2.352 10 30 CEEERO N#Cc1nnc2ccccc2c1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000085920757 179200098 /nfs/dbraw/zinc/20/00/98/179200098.db2.gz KNGJNBLDUQGUII-FOSCPWQOSA-N 1 0 279.347 2.196 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2ccc(C#CC[NH3+])cc2F)CC[C@@H]1C ZINC000086081157 179227471 /nfs/dbraw/zinc/22/74/71/179227471.db2.gz UDROPVXCXLCAJU-HWWQOWPSSA-N 1 0 288.366 2.300 10 30 CEEERO CC[NH+](CC)C[C@H](O)CNc1cc(Cl)ccc1C#N ZINC000086114838 179234360 /nfs/dbraw/zinc/23/43/60/179234360.db2.gz DJEZPFXODOQADP-CYBMUJFWSA-N 1 0 281.787 2.326 10 30 CEEERO C#CCN1C[C@@](C)(c2ccccc2)[NH2+]C[C@H]1C(C)C ZINC000086222882 179250784 /nfs/dbraw/zinc/25/07/84/179250784.db2.gz WQKLJSDOSNPORT-IRXDYDNUSA-N 1 0 256.393 2.465 10 30 CEEERO C=CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000089146899 179723257 /nfs/dbraw/zinc/72/32/57/179723257.db2.gz KUPFLEFPSHOJNS-NWDGAFQWSA-N 1 0 254.374 2.455 10 30 CEEERO Cc1ccc(C#N)c(OC[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000089538187 179813453 /nfs/dbraw/zinc/81/34/53/179813453.db2.gz XEYHTJWDDRYKNC-JSGCOSHPSA-N 1 0 259.353 2.406 10 30 CEEERO C[C@H](OCCOc1cccc(C#CC[NH3+])c1)C(F)(F)F ZINC000090673654 180021644 /nfs/dbraw/zinc/02/16/44/180021644.db2.gz SRYHYEFHIRLLFA-NSHDSACASA-N 1 0 287.281 2.343 10 30 CEEERO CC(C)(C)[NH2+]Cc1cccc(SCC(=O)NCC#N)c1 ZINC000090872516 180049726 /nfs/dbraw/zinc/04/97/26/180049726.db2.gz YKGUMNOOMSWKCM-UHFFFAOYSA-N 1 0 291.420 2.307 10 30 CEEERO CC[C@H](C#N)N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090977023 180078855 /nfs/dbraw/zinc/07/88/55/180078855.db2.gz XJEKRYNLXSZPAN-HZPDHXFCSA-N 1 0 269.392 2.246 10 30 CEEERO Cc1sc(NC(=O)C[C@@H]2CSCC[NH2+]2)c(C#N)c1C ZINC000091138401 180105482 /nfs/dbraw/zinc/10/54/82/180105482.db2.gz XGJGZUXEMQAXEA-SNVBAGLBSA-N 1 0 295.433 2.270 10 30 CEEERO CCN(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360178 180141202 /nfs/dbraw/zinc/14/12/02/180141202.db2.gz JFDMSADQQQJNLR-IHRRRGAJSA-N 1 0 263.385 2.059 10 30 CEEERO C=CC[C@@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000091613186 180207747 /nfs/dbraw/zinc/20/77/47/180207747.db2.gz ZVWJKQCSJUBCIG-HUUCEWRRSA-N 1 0 254.418 2.432 10 30 CEEERO N#CCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000104985932 186037683 /nfs/dbraw/zinc/03/76/83/186037683.db2.gz SUXTYAHKBIUQLC-MRXNPFEDSA-N 1 0 298.390 2.455 10 30 CEEERO C#CC[C@@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646374 180215221 /nfs/dbraw/zinc/21/52/21/180215221.db2.gz LOPOFDOOAZZVTO-OAHLLOKOSA-N 1 0 264.413 2.023 10 30 CEEERO [NH3+]CC#Cc1ccccc1NC(=O)N1CCCCC1 ZINC000091969671 180294993 /nfs/dbraw/zinc/29/49/93/180294993.db2.gz HOXGGPGRYBWSQY-UHFFFAOYSA-N 1 0 257.337 2.015 10 30 CEEERO C[C@@H]1CCCN(C(=O)Nc2ccc(C#CC[NH3+])c(F)c2)C1 ZINC000091992552 180300342 /nfs/dbraw/zinc/30/03/42/180300342.db2.gz NJNQITIZSGJRJR-GFCCVEGCSA-N 1 0 289.354 2.400 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@H]([NH3+])C1 ZINC000092202631 180343393 /nfs/dbraw/zinc/34/33/93/180343393.db2.gz RXPMRJHNCIEXBT-KCJUWKMLSA-N 1 0 261.712 2.054 10 30 CEEERO Cc1cc(NC(=O)c2cc(F)ccc2C#CC[NH3+])ccn1 ZINC000092365948 180369351 /nfs/dbraw/zinc/36/93/51/180369351.db2.gz ZOJBKHLSZLVZOC-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000092474414 180393621 /nfs/dbraw/zinc/39/36/21/180393621.db2.gz MHIRPFSIWBORHV-UHFFFAOYSA-N 1 0 290.754 2.240 10 30 CEEERO CC[C@@H]1C[N@H+](CCC[C@@](C)(C#N)NC(C)C)CCN1C ZINC000110737303 186318931 /nfs/dbraw/zinc/31/89/31/186318931.db2.gz PTQMLELUOWDXLU-CVEARBPZSA-N 1 0 280.460 2.073 10 30 CEEERO CCOCC[N@H+](CC)CCOc1ccc(CC#N)cc1 ZINC000111119226 186354352 /nfs/dbraw/zinc/35/43/52/186354352.db2.gz CKBSABHBQFIWPJ-UHFFFAOYSA-N 1 0 276.380 2.490 10 30 CEEERO C[C@@H]1CCC[C@@]([NH3+])(c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000111283924 186390420 /nfs/dbraw/zinc/39/04/20/186390420.db2.gz BPZRDTDZMVHQGD-BMIGLBTASA-N 1 0 283.335 2.367 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)Cc1ccc(C#N)cc1 ZINC000070159124 363039502 /nfs/dbraw/zinc/03/95/02/363039502.db2.gz JOAROXYOPLIFRW-MRXNPFEDSA-N 1 0 287.407 2.193 10 30 CEEERO N#Cc1cc2c(nc1N1CCC[C@H](CC[NH3+])C1)CCC2 ZINC000070171368 363045561 /nfs/dbraw/zinc/04/55/61/363045561.db2.gz URVYCCGLRSQGPK-GFCCVEGCSA-N 1 0 270.380 2.007 10 30 CEEERO CN(c1ccc(C(F)(F)F)cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071311699 363108693 /nfs/dbraw/zinc/10/86/93/363108693.db2.gz LBPUXIGUHKJPOB-LLVKDONJSA-N 1 0 269.270 2.375 10 30 CEEERO C=CCC[C@@H](CN(C)CC[NH+](C)C)Oc1nccs1 ZINC000072426664 363134025 /nfs/dbraw/zinc/13/40/25/363134025.db2.gz XINIDRXHSBYCBV-ZDUSSCGKSA-N 1 0 283.441 2.350 10 30 CEEERO Cc1ccnc(NCCC[NH2+]Cc2cccnc2)c1C#N ZINC000135199862 187805256 /nfs/dbraw/zinc/80/52/56/187805256.db2.gz XOZHOEKPCAXKIJ-UHFFFAOYSA-N 1 0 281.363 2.249 10 30 CEEERO Cc1nc(N(C)C[C@H]2CC[N@H+](C)C2)c(Cl)cc1C#N ZINC000292331380 198248062 /nfs/dbraw/zinc/24/80/62/198248062.db2.gz AUPUAGPMVSHDKX-NSHDSACASA-N 1 0 278.787 2.303 10 30 CEEERO C[C@H]1COC[C@H](C)[NH+]1CCCOc1cccc(C#N)c1 ZINC000156495926 188266110 /nfs/dbraw/zinc/26/61/10/188266110.db2.gz PICCZTTYUDBWJE-KBPBESRZSA-N 1 0 274.364 2.436 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000252856272 283097409 /nfs/dbraw/zinc/09/74/09/283097409.db2.gz KQBFDFLTYAXMCU-COPLHBTASA-N 1 0 277.318 2.400 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CCC[C@H](C[NH3+])C1 ZINC000044532108 283242318 /nfs/dbraw/zinc/24/23/18/283242318.db2.gz QRAVCQRRIOKJMI-GFCCVEGCSA-N 1 0 266.348 2.282 10 30 CEEERO Cc1cccc[n+]1CC(=O)[C@H](C#N)c1ccccc1 ZINC000003268599 361270089 /nfs/dbraw/zinc/27/00/89/361270089.db2.gz YVUCRLGDPDSHEE-OAHLLOKOSA-N 1 0 251.309 2.159 10 30 CEEERO C=CC[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000245425202 370818229 /nfs/dbraw/zinc/81/82/29/370818229.db2.gz SVBQNBMELNJIMF-CHWSQXEVSA-N 1 0 253.390 2.077 10 30 CEEERO CC(C)n1ncc2cc(CNC[C@@H](C)C#N)cnc21 ZINC000183820284 368652530 /nfs/dbraw/zinc/65/25/30/368652530.db2.gz ACNVKIAZHADTLP-NSHDSACASA-N 1 0 257.341 2.261 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](CC)C1 ZINC000246096154 370908082 /nfs/dbraw/zinc/90/80/82/370908082.db2.gz LYGPVHBJPAPUSI-HOCLYGCPSA-N 1 0 294.439 2.058 10 30 CEEERO COc1cc(C[NH2+][C@H]2CCCCC[C@H]2O)ccc1C#N ZINC000234952254 370550833 /nfs/dbraw/zinc/55/08/33/370550833.db2.gz KWBAHVBBUDHENL-LSDHHAIUSA-N 1 0 274.364 2.350 10 30 CEEERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000246859595 371021441 /nfs/dbraw/zinc/02/14/41/371021441.db2.gz FOOSOWDAPRLCOZ-SMDDNHRTSA-N 1 0 263.410 2.438 10 30 CEEERO N#Cc1cc(N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000236160263 189832802 /nfs/dbraw/zinc/83/28/02/189832802.db2.gz NFURFSWGOPFZCA-CYBMUJFWSA-N 1 0 274.324 2.396 10 30 CEEERO Cc1nc(N2CC[C@]3(CC[NH2+]C3)C2)c(Cl)cc1C#N ZINC000261604448 371675333 /nfs/dbraw/zinc/67/53/33/371675333.db2.gz RBUZTSILTZBYOJ-AWEZNQCLSA-N 1 0 276.771 2.105 10 30 CEEERO N#Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382469906 375187460 /nfs/dbraw/zinc/18/74/60/375187460.db2.gz OZFWRCHHOHHBGM-KOLCDFICSA-N 1 0 260.297 2.006 10 30 CEEERO N#CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000398982344 375355224 /nfs/dbraw/zinc/35/52/24/375355224.db2.gz GLHQOGBFGDODTD-BBWFWOEESA-N 1 0 270.376 2.345 10 30 CEEERO C[C@H](C#N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309712550 376603234 /nfs/dbraw/zinc/60/32/34/376603234.db2.gz KOKNQQUKZQQLGQ-BSWAZPDLSA-N 1 0 297.402 2.173 10 30 CEEERO C[C@H](C[NH3+])CNc1ccc(Br)cc1C#N ZINC000308996042 376588777 /nfs/dbraw/zinc/58/87/77/376588777.db2.gz PQDIXUZHXJTPEN-MRVPVSSYSA-N 1 0 268.158 2.327 10 30 CEEERO N#Cc1ccc(NC(=O)O[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093220503 184656555 /nfs/dbraw/zinc/65/65/55/184656555.db2.gz CIFOXQQZEDXIMQ-DGCLKSJQSA-N 1 0 259.309 2.377 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)cc1F ZINC000093375078 184668213 /nfs/dbraw/zinc/66/82/13/184668213.db2.gz QDIWCTPHNNAVLJ-LLVKDONJSA-N 1 0 298.159 2.446 10 30 CEEERO N#C[C@@H](CN1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000080787402 177706851 /nfs/dbraw/zinc/70/68/51/177706851.db2.gz TWRWVIUBVXVZQF-INIZCTEOSA-N 1 0 257.381 2.355 10 30 CEEERO C[NH2+]C[C@H]1CCCN(C[C@@H](C#N)c2ccccc2)C1 ZINC000080786945 177706636 /nfs/dbraw/zinc/70/66/36/177706636.db2.gz UAOBWDYLZUBETF-GDBMZVCRSA-N 1 0 257.381 2.225 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1OC)n1ccnc1C#N ZINC000094936483 184895983 /nfs/dbraw/zinc/89/59/83/184895983.db2.gz ZIQGLVPDKBHMIV-IUODEOHRSA-N 1 0 270.336 2.090 10 30 CEEERO C[C@H]([NH3+])[C@H](c1ccccc1Cl)n1ccnc1C#N ZINC000094936480 184896248 /nfs/dbraw/zinc/89/62/48/184896248.db2.gz QYBRSPQNDARESF-TVQRCGJNSA-N 1 0 260.728 2.345 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000251639333 394568588 /nfs/dbraw/zinc/56/85/88/394568588.db2.gz FURZVBKWKXNRDP-FZMZJTMJSA-N 1 0 286.335 2.139 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl ZINC000114709910 394752662 /nfs/dbraw/zinc/75/26/62/394752662.db2.gz RHCPLYPACIMUIS-CMPLNLGQSA-N 1 0 276.771 2.280 10 30 CEEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000335655944 394785514 /nfs/dbraw/zinc/78/55/14/394785514.db2.gz DMIFKJMMSLHZOU-PRHODGIISA-N 1 0 251.280 2.246 10 30 CEEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000181620874 395220474 /nfs/dbraw/zinc/22/04/74/395220474.db2.gz ZFTWYAPVSQGPGJ-NSHDSACASA-N 1 0 295.333 2.378 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccccc1 ZINC000192025927 395369740 /nfs/dbraw/zinc/36/97/40/395369740.db2.gz QBZFTCIKKMMKIC-NVXWUHKLSA-N 1 0 254.377 2.207 10 30 CEEERO C=CCNC(=O)CN1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195381756 395465491 /nfs/dbraw/zinc/46/54/91/395465491.db2.gz HOKKPSCLGMYNRA-LBPRGKRZSA-N 1 0 293.436 2.187 10 30 CEEERO COc1cc2c(cc1OC)C(=O)/C(=C\C1CC[NH2+]CC1)C2 ZINC000022057900 286257597 /nfs/dbraw/zinc/25/75/97/286257597.db2.gz MDJVFLZZPSQKFM-QPEQYQDCSA-N 1 0 287.359 2.369 10 30 CEEERO N#Cc1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)o1 ZINC000190290172 153122282 /nfs/dbraw/zinc/12/22/82/153122282.db2.gz MLZCIJCTBACGQV-WFASDCNBSA-N 1 0 288.372 2.421 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)cc1 ZINC000177101357 165185294 /nfs/dbraw/zinc/18/52/94/165185294.db2.gz FDBNTVMNWQPEPI-INIZCTEOSA-N 1 0 266.348 2.419 10 30 CEEERO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1ccccc1C#N ZINC000035207503 172051778 /nfs/dbraw/zinc/05/17/78/172051778.db2.gz XCMKNOWHWVFKSG-NSHDSACASA-N 1 0 257.337 2.227 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000037217602 173036251 /nfs/dbraw/zinc/03/62/51/173036251.db2.gz HNAIECLWQJGNND-CQSZACIVSA-N 1 0 272.392 2.443 10 30 CEEERO N#Cc1nc(-c2cccc(Cl)c2)oc1N1CC[NH2+]CC1 ZINC000040165753 174197508 /nfs/dbraw/zinc/19/75/08/174197508.db2.gz PHEOYRJPKZOBCM-UHFFFAOYSA-N 1 0 288.738 2.276 10 30 CEEERO CCCCOCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000040506819 174302320 /nfs/dbraw/zinc/30/23/20/174302320.db2.gz SVYYSIGBQUCOEM-UHFFFAOYSA-N 1 0 262.353 2.495 10 30 CEEERO C[NH2+]C[C@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000040600272 174350326 /nfs/dbraw/zinc/35/03/26/174350326.db2.gz XNVYMGDIMOUBAE-CQSZACIVSA-N 1 0 282.391 2.242 10 30 CEEERO CCC[NH2+][C@@H](c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301275 175001929 /nfs/dbraw/zinc/00/19/29/175001929.db2.gz UBCBFIZXXJGMRT-GJZGRUSLSA-N 1 0 292.404 2.034 10 30 CEEERO C[C@@H]([NH3+])[C@H](c1ccco1)N(CCC#N)Cc1cccnc1 ZINC000043334582 175010455 /nfs/dbraw/zinc/01/04/55/175010455.db2.gz JLMGIBKUSXFLFT-CZUORRHYSA-N 1 0 284.363 2.479 10 30 CEEERO C[C@@H]([NH3+])[C@@H](c1ccco1)N(CCC#N)Cc1cccnc1 ZINC000043334580 175010457 /nfs/dbraw/zinc/01/04/57/175010457.db2.gz JLMGIBKUSXFLFT-CJNGLKHVSA-N 1 0 284.363 2.479 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CC)C[C@@H](C)C#N ZINC000043340717 175014828 /nfs/dbraw/zinc/01/48/28/175014828.db2.gz IBMZCXWTQUELCS-YDHLFZDLSA-N 1 0 260.385 2.342 10 30 CEEERO CC(C)[N@H+](CCCO)Cc1cc(C#CCCO)cs1 ZINC000043698701 175096975 /nfs/dbraw/zinc/09/69/75/175096975.db2.gz ZBIAZOGMMMJHRZ-UHFFFAOYSA-N 1 0 281.421 2.075 10 30 CEEERO N#CC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCCCCC1 ZINC000044767441 175250130 /nfs/dbraw/zinc/25/01/30/175250130.db2.gz WEIDUYIJEMTWEK-CYBMUJFWSA-N 1 0 275.396 2.203 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000045091838 175305862 /nfs/dbraw/zinc/30/58/62/175305862.db2.gz YEQXSPADHARHRK-UHFFFAOYSA-N 1 0 276.355 2.254 10 30 CEEERO CCN[C@](C)(C#N)CC[N@H+](CCOC)[C@@H](C)CC ZINC000045182716 175325901 /nfs/dbraw/zinc/32/59/01/175325901.db2.gz SBUAMHRLJHVXIE-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO CCO[C@@H]1CCC[N@H+](CC[C@@](C)(C#N)NC(C)C)C1 ZINC000045183350 175326071 /nfs/dbraw/zinc/32/60/71/175326071.db2.gz ZBICALRVMGMYNB-CABCVRRESA-N 1 0 267.417 2.158 10 30 CEEERO CC[N@H+](CCCC[C@](C)(C#N)NC)[C@@H](C)COC ZINC000045314246 175357295 /nfs/dbraw/zinc/35/72/95/175357295.db2.gz WHMKCZILANPBDT-UONOGXRCSA-N 1 0 255.406 2.015 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](CCOC)C1CC1 ZINC000045316731 175357881 /nfs/dbraw/zinc/35/78/81/175357881.db2.gz YNQYSXIAAPYECL-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO C=CCOC(=O)Nc1nccc2ccc(C[NH3+])cc21 ZINC000066348526 175758677 /nfs/dbraw/zinc/75/86/77/175758677.db2.gz FYKBYLSGKMDBDH-UHFFFAOYSA-N 1 0 257.293 2.428 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000070578132 175993875 /nfs/dbraw/zinc/99/38/75/175993875.db2.gz CYFVTZFLIKETBF-GXSJLCMTSA-N 1 0 261.300 2.153 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(CCC#N)CCOC ZINC000071222594 176088029 /nfs/dbraw/zinc/08/80/29/176088029.db2.gz PLIABYCTWBLSBJ-HZPDHXFCSA-N 1 0 293.386 2.466 10 30 CEEERO COCCN(CCC#N)c1ccc([C@H](C)[NH3+])cc1F ZINC000071225926 176089464 /nfs/dbraw/zinc/08/94/64/176089464.db2.gz PLTHZMSGNSNHNK-NSHDSACASA-N 1 0 265.332 2.212 10 30 CEEERO C=CCCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000071274966 176106358 /nfs/dbraw/zinc/10/63/58/176106358.db2.gz LVVROWROSKOCME-UHFFFAOYSA-N 1 0 280.324 2.286 10 30 CEEERO N#Cc1cc2ccccc2nc1NC[C@H]1CCC[NH2+]1 ZINC000071386085 176147329 /nfs/dbraw/zinc/14/73/29/176147329.db2.gz FJOIHEFRSGWDJL-CYBMUJFWSA-N 1 0 252.321 2.270 10 30 CEEERO N#Cc1cc2ccccc2nc1N[C@H]1CCC[NH2+]C1 ZINC000071386144 176147576 /nfs/dbraw/zinc/14/75/76/176147576.db2.gz HLAUUKWTVYZTCJ-ZDUSSCGKSA-N 1 0 252.321 2.270 10 30 CEEERO CC[C@H](CC[NH3+])CCC(=O)N(CC)C[C@H](C)C#N ZINC000079210605 177447213 /nfs/dbraw/zinc/44/72/13/177447213.db2.gz NNXXFMCPRNHASR-OLZOCXBDSA-N 1 0 253.390 2.150 10 30 CEEERO CCC[C@H](CC[NH3+])CCC(=O)N[C@H](CC)CC#N ZINC000079241645 177454511 /nfs/dbraw/zinc/45/45/11/177454511.db2.gz CHGDQIMBBMVKHD-QWHCGFSZSA-N 1 0 253.390 2.340 10 30 CEEERO C[NH+](C)[C@]1(CNC(=O)[C@@]2(C)CCCNC2=O)CCSC1 ZINC000330303651 228120987 /nfs/dbraw/zinc/12/09/87/228120987.db2.gz JZMBMKCMYMEALU-KBPBESRZSA-N 1 0 299.440 2.137 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1cccc(C#N)n1 ZINC000251919435 274373549 /nfs/dbraw/zinc/37/35/49/274373549.db2.gz XVRMQJTYZNZOPW-OCCSQVGLSA-N 1 0 256.353 2.016 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(Br)cc1C#N ZINC000229255485 274399789 /nfs/dbraw/zinc/39/97/89/274399789.db2.gz VGBXAPKNDKVIEK-NXEZZACHSA-N 1 0 294.196 2.494 10 30 CEEERO N#Cc1cc(N2CCC[C@H]2C[NH3+])nc2ccccc12 ZINC000131990596 274920052 /nfs/dbraw/zinc/92/00/52/274920052.db2.gz QKAGXXPZHYOCGV-LBPRGKRZSA-N 1 0 252.321 2.034 10 30 CEEERO N#Cc1cccc(N2CCC[C@@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000126634320 279533741 /nfs/dbraw/zinc/53/37/41/279533741.db2.gz AXAAWCZTXOHWTC-NSHDSACASA-N 1 0 274.324 2.032 10 30 CEEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000249456346 280398007 /nfs/dbraw/zinc/39/80/07/280398007.db2.gz NSCXDQGMFFIQCP-RHSMWYFYSA-N 1 0 285.391 2.026 10 30 CEEERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])cc1C#N ZINC000574263457 314202790 /nfs/dbraw/zinc/20/27/90/314202790.db2.gz YXSURBFZULUPBF-UHFFFAOYSA-N 1 0 262.313 2.266 10 30 CEEERO CCc1nc2n(n1)C[C@@H]([NH2+]CC(C)(C)CCC#N)CC2 ZINC000174362386 329157904 /nfs/dbraw/zinc/15/79/04/329157904.db2.gz MHXJENKJRKSMDZ-LBPRGKRZSA-N 1 0 275.400 2.075 10 30 CEEERO C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[C@@H]1C ZINC000176387129 329175008 /nfs/dbraw/zinc/17/50/08/329175008.db2.gz LTZFGZNOCJMEJW-IONNQARKSA-N 1 0 257.790 2.475 10 30 CEEERO C=C[C@](C)(CCOC)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000189203848 329377213 /nfs/dbraw/zinc/37/72/13/329377213.db2.gz HAGNRSBLDNCRHF-GOEBONIOSA-N 1 0 282.428 2.158 10 30 CEEERO C[NH+]=C(NC[C@H](C)SC)N(C)Cc1csc(C)n1 ZINC000261739956 329980820 /nfs/dbraw/zinc/98/08/20/329980820.db2.gz MJMFYNHFBBPWDQ-VIFPVBQESA-N 1 0 286.470 2.210 10 30 CEEERO CC[C@H](C)NC(=[NH2+])NCC1(C)CCC(OC)CC1 ZINC000262418186 330009023 /nfs/dbraw/zinc/00/90/23/330009023.db2.gz UNKJVHJCWBWGHV-DCBWTQNWSA-N 1 0 255.406 2.285 10 30 CEEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@@H](OC)C1(C)C ZINC000262443518 330013304 /nfs/dbraw/zinc/01/33/04/330013304.db2.gz UXYQYSGXVMIKCH-UONOGXRCSA-N 1 0 291.395 2.373 10 30 CEEERO [NH2+]=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)NC1CC1 ZINC000262455972 330014517 /nfs/dbraw/zinc/01/45/17/330014517.db2.gz RORVQTVYPPNBAY-SCZZXKLOSA-N 1 0 263.307 2.422 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])NC(C)C ZINC000262522166 330022774 /nfs/dbraw/zinc/02/27/74/330022774.db2.gz JAQFTUYHHLMLOF-UKRRQHHQSA-N 1 0 261.369 2.038 10 30 CEEERO [NH2+]=C(N[C@H]1C[C@@H]1C(F)F)N[C@H]1CCOc2ccccc21 ZINC000262763872 330029838 /nfs/dbraw/zinc/02/98/38/330029838.db2.gz GAZGSKMSRRLDCB-DCAQKATOSA-N 1 0 281.306 2.068 10 30 CEEERO CC[NH+]=C(NCC1CCC1)NCC1(O)CCCCC1 ZINC000262791134 330031830 /nfs/dbraw/zinc/03/18/30/330031830.db2.gz NYYGQHKCMYRUSM-UHFFFAOYSA-N 1 0 267.417 2.037 10 30 CEEERO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@H]1C ZINC000262812061 330033622 /nfs/dbraw/zinc/03/36/22/330033622.db2.gz UNSWDQVMGPKHND-ZYHUDNBSSA-N 1 0 255.431 2.093 10 30 CEEERO CC[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1C[C@H]1C ZINC000262829236 330034430 /nfs/dbraw/zinc/03/44/30/330034430.db2.gz ZFOGASWJTHYCEN-BXKDBHETSA-N 1 0 280.441 2.266 10 30 CEEERO CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424083617 330222414 /nfs/dbraw/zinc/22/24/14/330222414.db2.gz NFBJBKDYBYOALD-UONOGXRCSA-N 1 0 259.353 2.275 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000251374726 334360573 /nfs/dbraw/zinc/36/05/73/334360573.db2.gz RQJVQGYXUGEAMS-CHWSQXEVSA-N 1 0 263.385 2.011 10 30 CEEERO CC(C)COC(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049587397 519750486 /nfs/dbraw/zinc/75/04/86/519750486.db2.gz KXVWPZROEKIQQQ-UHFFFAOYSA-N 1 0 274.364 2.221 10 30 CEEERO CC[NH2+]CCC(=O)Nc1cc(Cl)ccc1C#N ZINC000061290844 519917854 /nfs/dbraw/zinc/91/78/54/519917854.db2.gz CVCWMRUPBGWJPJ-UHFFFAOYSA-N 1 0 251.717 2.150 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614915 520102863 /nfs/dbraw/zinc/10/28/63/520102863.db2.gz ZOJFVWKNOMMCDE-OAGGEKHMSA-N 1 0 280.460 2.073 10 30 CEEERO C#CC(C)(C)[NH2+]Cc1cc(OC)c(OC)cc1OC ZINC000070117388 518239444 /nfs/dbraw/zinc/23/94/44/518239444.db2.gz SITRWXLMRVQAPD-UHFFFAOYSA-N 1 0 263.337 2.214 10 30 CEEERO C#CCCOc1ccc(CC[NH3+])cc1Br ZINC000062703753 518251981 /nfs/dbraw/zinc/25/19/81/518251981.db2.gz HECTWSQATCSMBN-UHFFFAOYSA-N 1 0 268.154 2.352 10 30 CEEERO C#CCOc1ccc(C[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000062730683 518326688 /nfs/dbraw/zinc/32/66/88/518326688.db2.gz AEWAFCGTVFRKCO-UHFFFAOYSA-N 1 0 262.309 2.352 10 30 CEEERO C=CCNC(=O)COc1cccc2c1CC[C@H]2[NH2+]CCC ZINC000062799988 518896008 /nfs/dbraw/zinc/89/60/08/518896008.db2.gz ZUIVFDRKXZGZNA-OAHLLOKOSA-N 1 0 288.391 2.355 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cccc2c1CC[C@@H]2[NH2+]CC ZINC000062799553 518913594 /nfs/dbraw/zinc/91/35/94/518913594.db2.gz RXSAVUSCCLZDEY-DOMZBBRYSA-N 1 0 288.391 2.353 10 30 CEEERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@@H](C#N)CC)c1 ZINC000050516909 520001029 /nfs/dbraw/zinc/00/10/29/520001029.db2.gz FEGAQBYPFHFVIE-LLVKDONJSA-N 1 0 263.297 2.385 10 30 CEEERO CCN[C@H](C#N)CC[N@H+](CCOC)C(CC)CC ZINC000062437714 520160220 /nfs/dbraw/zinc/16/02/20/520160220.db2.gz DUBKOAOYSFBIPS-ZDUSSCGKSA-N 1 0 255.406 2.015 10 30 CEEERO CCC[C@H](C)C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586487 521002776 /nfs/dbraw/zinc/00/27/76/521002776.db2.gz QKJOFZIBEPVLEK-ZDUSSCGKSA-N 1 0 258.365 2.049 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443426 521237417 /nfs/dbraw/zinc/23/74/17/521237417.db2.gz CGGSKQGEHDZFGA-CYBMUJFWSA-N 1 0 288.395 2.034 10 30 CEEERO CCOc1cccc(C[NH2+]CCOC)c1O[C@@H](C)C#N ZINC000062732807 521362583 /nfs/dbraw/zinc/36/25/83/521362583.db2.gz OBULQWUYVUZGCD-LBPRGKRZSA-N 1 0 278.352 2.112 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(Cc2cc(C#CCO)cs2)CC1 ZINC000055069321 522124880 /nfs/dbraw/zinc/12/48/80/522124880.db2.gz XMAPICSZMQLYFH-CQSZACIVSA-N 1 0 292.448 2.008 10 30 CEEERO COC[C@@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049613815 522220841 /nfs/dbraw/zinc/22/08/41/522220841.db2.gz JCRSWYFJXZQSQD-CYBMUJFWSA-N 1 0 279.355 2.026 10 30 CEEERO CN[C@@](C#N)(C[NH+](CC(C)C)CC(C)C)C1CC1 ZINC000069078986 522402667 /nfs/dbraw/zinc/40/26/67/522402667.db2.gz VORKLOWGFHUQAC-HNNXBMFYSA-N 1 0 251.418 2.492 10 30 CEEERO COC1CC[NH+](Cc2ccc(C#CCCO)cc2F)CC1 ZINC000049618090 522703661 /nfs/dbraw/zinc/70/36/61/522703661.db2.gz DUIXJIUJLOZLCF-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO CN(Cc1ccc(F)c(C#CC[NH3+])c1)Cc1ccccn1 ZINC000049609246 523240056 /nfs/dbraw/zinc/24/00/56/523240056.db2.gz SPTSIWLTPOJLKN-UHFFFAOYSA-N 1 0 283.350 2.163 10 30 CEEERO CC[C@H]1CO[C@H](C)CN1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609851 523351734 /nfs/dbraw/zinc/35/17/34/523351734.db2.gz FDIGPPOLTGVVHK-CJNGLKHVSA-N 1 0 290.382 2.135 10 30 CEEERO CC[C@H]1CO[C@H](C)CN1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609839 523352315 /nfs/dbraw/zinc/35/23/15/523352315.db2.gz UBSPZENYVWSQEJ-CJNGLKHVSA-N 1 0 290.382 2.135 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCCO)C[C@@H]1CCCCO1 ZINC000049613687 523357949 /nfs/dbraw/zinc/35/79/49/523357949.db2.gz UTQYQZXKZMDCLT-SFHVURJKSA-N 1 0 287.403 2.421 10 30 CEEERO COc1ccc(C#CCCO)cc1C[N@@H+]1CCC[C@H]1C ZINC000049615197 523511201 /nfs/dbraw/zinc/51/12/01/523511201.db2.gz YDSSYDNGEHTZCG-CQSZACIVSA-N 1 0 273.376 2.413 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1COC[C@H]1CCCCO1 ZINC000049610757 523513119 /nfs/dbraw/zinc/51/31/19/523513119.db2.gz VEZFSEYPZSOOPE-MRXNPFEDSA-N 1 0 289.375 2.091 10 30 CEEERO CC[C@H](C)C[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049617887 523868205 /nfs/dbraw/zinc/86/82/05/523868205.db2.gz NOQSQESSWSLJEZ-HNNXBMFYSA-N 1 0 275.392 2.387 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccccc2C#CC[NH3+])[C@@H]1C ZINC000050568511 524212561 /nfs/dbraw/zinc/21/25/61/524212561.db2.gz NUOTYXMBNZHEGS-ZIAGYGMSSA-N 1 0 270.376 2.257 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccccc2C#CC[NH3+])[C@H]1C ZINC000050568514 524212798 /nfs/dbraw/zinc/21/27/98/524212798.db2.gz NUOTYXMBNZHEGS-KGLIPLIRSA-N 1 0 270.376 2.257 10 30 CEEERO C[C@@H](C[C@@](C)(C#N)NC1CC1)[N@H+](C)CC1CCOCC1 ZINC000068616529 524849939 /nfs/dbraw/zinc/84/99/39/524849939.db2.gz YCUNBVGRWZYXFG-BBRMVZONSA-N 1 0 279.428 2.158 10 30 CEEERO C[C@@H]1C[C@@H](C)C[NH+](CCOc2cccc(C#CCO)c2)C1 ZINC000049616622 525211443 /nfs/dbraw/zinc/21/14/43/525211443.db2.gz GQDVNUIEQMRTBV-HZPDHXFCSA-N 1 0 287.403 2.387 10 30 CEEERO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C#N)c1cccc(-n2cnnn2)c1 ZINC000061891411 525637831 /nfs/dbraw/zinc/63/78/31/525637831.db2.gz GPZSGMHQOHBUSI-UXIGCNINSA-N 1 0 282.351 2.005 10 30 CEEERO C[C@@H](c1ccc(C#CC[NH3+])cc1)N1CCCCC1=O ZINC000049587752 526035619 /nfs/dbraw/zinc/03/56/19/526035619.db2.gz OWPSNPJGUFEHRD-ZDUSSCGKSA-N 1 0 256.349 2.070 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000049842742 526457866 /nfs/dbraw/zinc/45/78/66/526457866.db2.gz HGBBXOLNSARCKL-CQSZACIVSA-N 1 0 289.379 2.302 10 30 CEEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826201 526513042 /nfs/dbraw/zinc/51/30/42/526513042.db2.gz ZPSFOIPCWSDBLZ-TZMCWYRMSA-N 1 0 259.309 2.419 10 30 CEEERO N#Cc1cc2c(nc1N[C@@H]1CCC[C@@H]1[NH3+])CCCC2 ZINC000063176783 526579832 /nfs/dbraw/zinc/57/98/32/526579832.db2.gz QBAXSBQATOAAGS-GXTWGEPZSA-N 1 0 256.353 2.124 10 30 CEEERO N#Cc1cccc(NC(=O)N2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000051359054 526719589 /nfs/dbraw/zinc/71/95/89/526719589.db2.gz CJRWFLRTKIFGNK-HUUCEWRRSA-N 1 0 284.363 2.307 10 30 CEEERO N#Cc1ncccc1COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798519 526791021 /nfs/dbraw/zinc/79/10/21/526791021.db2.gz HLEFMZUFFYTNGZ-CQSZACIVSA-N 1 0 265.316 2.478 10 30 CEEERO Cc1sc(NC(=O)CC[C@@H](C)[NH3+])c(C#N)c1C ZINC000070317734 526879656 /nfs/dbraw/zinc/87/96/56/526879656.db2.gz RCBCOHFMTMQFHE-SSDOTTSWSA-N 1 0 251.355 2.303 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\c2ccccc2C#N)C1 ZINC000255686757 625393167 /nfs/dbraw/zinc/39/31/67/625393167.db2.gz LMKRBALSAKHBNS-YSSGOKQJSA-N 1 0 297.402 2.416 10 30 CEEERO N#Cc1sc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)nc1Cl ZINC000236295080 625622860 /nfs/dbraw/zinc/62/28/60/625622860.db2.gz OTBYDRRUKOHCQZ-DJLDLDEBSA-N 1 0 282.800 2.232 10 30 CEEERO C[C@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CCC[NH2+]C1 ZINC000235554037 625642920 /nfs/dbraw/zinc/64/29/20/625642920.db2.gz ZVCLQYLFAHSHJE-JGVFFNPUSA-N 1 0 270.789 2.468 10 30 CEEERO CCc1nnc(N[C@H]2CCC[NH2+][C@H]2C)c(C#N)c1CC ZINC000229605426 639710051 /nfs/dbraw/zinc/71/00/51/639710051.db2.gz VGRNLZZHQOPCLP-HZMBPMFUSA-N 1 0 273.384 2.025 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000125171063 187173153 /nfs/dbraw/zinc/17/31/53/187173153.db2.gz GGSVAJIQBCMZSJ-CABCVRRESA-N 1 0 275.396 2.143 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1cccc(C)c1)CC(C)C ZINC000036100429 361828343 /nfs/dbraw/zinc/82/83/43/361828343.db2.gz PXBCUDHAVCBPQP-GOSISDBHSA-N 1 0 289.419 2.464 10 30 CEEERO N#Cc1ccc(-n2cncc2C2C[NH2+]C2)cc1Cl ZINC000097013728 185151808 /nfs/dbraw/zinc/15/18/08/185151808.db2.gz GJUVXWIBXQBPRW-UHFFFAOYSA-N 1 0 258.712 2.084 10 30 CEEERO C[NH+](C)CC#CCCC(=O)[C@@](O)(c1ccccc1)C1CC1 ZINC000013825129 343366976 /nfs/dbraw/zinc/36/69/76/343366976.db2.gz UECYEVVALVNYSW-GOSISDBHSA-N 1 0 285.387 2.199 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000127327449 365743374 /nfs/dbraw/zinc/74/33/74/365743374.db2.gz CACPKASAESFFSO-ONGXEEELSA-N 1 0 294.196 2.494 10 30 CEEERO CC#CC[NH2+]Cc1cc(Br)ccc1O ZINC000127110339 344328624 /nfs/dbraw/zinc/32/86/24/344328624.db2.gz AAXLEGHACZOAKX-UHFFFAOYSA-N 1 0 254.127 2.268 10 30 CEEERO C#C[C@@H]([NH2+]C)c1ccc(I)cc1 ZINC000130151391 344350558 /nfs/dbraw/zinc/35/05/58/344350558.db2.gz ZMUYCOTZOSITNZ-SNVBAGLBSA-N 1 0 271.101 2.185 10 30 CEEERO CC[C@H]1CN(c2nc(C)cc(C)c2C#N)CC[C@@H]1[NH3+] ZINC000123046347 344308614 /nfs/dbraw/zinc/30/86/14/344308614.db2.gz CPWMKHOLDRSDKH-JSGCOSHPSA-N 1 0 258.369 2.134 10 30 CEEERO C#CC[C@@H]([NH3+])c1cc(OC)ccc1Br ZINC000158335265 344450675 /nfs/dbraw/zinc/45/06/75/344450675.db2.gz PVYBPIQUJJUPGM-LLVKDONJSA-N 1 0 254.127 2.481 10 30 CEEERO C[C@@H]([NH3+])CNc1cccc(Br)c1C#N ZINC000165079918 344473822 /nfs/dbraw/zinc/47/38/22/344473822.db2.gz YYQUVTGWRGQSQV-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO COC(=O)c1ccc(/C=[N+](\O)[C@@]2(C)CCCCC2=O)cc1 ZINC000225396045 344545255 /nfs/dbraw/zinc/54/52/55/344545255.db2.gz LJNFBYWDTHIQGC-FDIDWWNZSA-N 1 0 290.339 2.196 10 30 CEEERO CC[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251869763 344637775 /nfs/dbraw/zinc/63/77/75/344637775.db2.gz UHBDKPLJYPULCE-NWDGAFQWSA-N 1 0 274.324 2.030 10 30 CEEERO C=CCOCCC[NH2+]CCOc1ccccc1OC ZINC000584621195 344967369 /nfs/dbraw/zinc/96/73/69/344967369.db2.gz NWCBNLPDKIYPGH-UHFFFAOYSA-N 1 0 265.353 2.256 10 30 CEEERO N#Cc1cccnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594693441 345673289 /nfs/dbraw/zinc/67/32/89/345673289.db2.gz OQQHAOZPJFENDH-HNNXBMFYSA-N 1 0 270.380 2.169 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1c(C#N)nnc2ccccc21 ZINC000596030447 345926126 /nfs/dbraw/zinc/92/61/26/345926126.db2.gz ZOWIDVBQDYIKTM-GFCCVEGCSA-N 1 0 269.352 2.287 10 30 CEEERO CC[C@H]1CN(c2nc(C)ccc2C#N)[C@@H](CC)C[NH2+]1 ZINC000086466337 136512632 /nfs/dbraw/zinc/51/26/32/136512632.db2.gz YNKUJSXPUSPSAL-KBPBESRZSA-N 1 0 258.369 2.229 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368236 179038289 /nfs/dbraw/zinc/03/82/89/179038289.db2.gz BVAHLOITYLDTFV-HZPDHXFCSA-N 1 0 285.391 2.424 10 30 CEEERO N#Cc1cc2c(nc1N1CCCCC[C@@H]([NH3+])C1)CCC2 ZINC000600958531 346717960 /nfs/dbraw/zinc/71/79/60/346717960.db2.gz HMAMLEXQQQJMEZ-CQSZACIVSA-N 1 0 270.380 2.150 10 30 CEEERO N#Cc1ccc(NCC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000600961110 346719088 /nfs/dbraw/zinc/71/90/88/346719088.db2.gz MCENAJJNESIOQB-CQSZACIVSA-N 1 0 266.348 2.325 10 30 CEEERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C[NH3+] ZINC000600960865 346719193 /nfs/dbraw/zinc/71/91/93/346719193.db2.gz JGUGYLGHGSFMOR-WCBMZHEXSA-N 1 0 284.285 2.003 10 30 CEEERO C=CCc1ccccc1OCCN1CCC[NH2+]CC1 ZINC000064875940 362798208 /nfs/dbraw/zinc/79/82/08/362798208.db2.gz PRVPOFUKIOKERR-UHFFFAOYSA-N 1 0 260.381 2.089 10 30 CEEERO CC(C)C[C@H](C[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000085920988 179200564 /nfs/dbraw/zinc/20/05/64/179200564.db2.gz SDAFMWKGHFQEGG-LLVKDONJSA-N 1 0 269.352 2.287 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1c1c(C#N)nnc2ccccc21 ZINC000085920858 179200858 /nfs/dbraw/zinc/20/08/58/179200858.db2.gz HKLRHPWCIVPFGY-GFCCVEGCSA-N 1 0 281.363 2.080 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2sccc2C#CC[NH3+])[C@@H]1C ZINC000086081134 179227354 /nfs/dbraw/zinc/22/73/54/179227354.db2.gz UVVLNOLUQJNRFR-WZRBSPASSA-N 1 0 276.405 2.223 10 30 CEEERO N#Cc1ccc(Cl)cc1NC[C@@H](O)C[NH+]1CCCC1 ZINC000086114846 179234155 /nfs/dbraw/zinc/23/41/55/179234155.db2.gz ZYMVEEMIMJWHNO-CYBMUJFWSA-N 1 0 279.771 2.080 10 30 CEEERO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2)[C@@H](CC)C[NH2+]1 ZINC000086446694 179294823 /nfs/dbraw/zinc/29/48/23/179294823.db2.gz UKAIUXQPWIMYTO-CABCVRRESA-N 1 0 271.364 2.161 10 30 CEEERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccc(CC#N)cc1 ZINC000087627633 179458483 /nfs/dbraw/zinc/45/84/83/179458483.db2.gz RCPUFXDVYSBHTM-UHFFFAOYSA-N 1 0 259.353 2.455 10 30 CEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N(C)[C@@H](C)C(C)C ZINC000088443723 179603501 /nfs/dbraw/zinc/60/35/01/179603501.db2.gz JAKRFSLJMMUJBH-AWEZNQCLSA-N 1 0 272.392 2.422 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089388403 179778071 /nfs/dbraw/zinc/77/80/71/179778071.db2.gz WDYHJFOMYKLXAY-WDEREUQCSA-N 1 0 275.327 2.401 10 30 CEEERO C[C@@H](C[NH3+])CSCCC(=O)Nc1ccc(C#N)cc1 ZINC000090350858 179972755 /nfs/dbraw/zinc/97/27/55/179972755.db2.gz ALPZSJXSMHNIKT-NSHDSACASA-N 1 0 277.393 2.215 10 30 CEEERO [NH3+]CC#Cc1ccccc1NC(=O)[C@H]1Cc2ccccc21 ZINC000090985716 180080729 /nfs/dbraw/zinc/08/07/29/180080729.db2.gz YNUVLQGTICOBCF-INIZCTEOSA-N 1 0 276.339 2.275 10 30 CEEERO COc1ccc(Cn2ccc(C[C@H](C)[NH3+])c2)cc1C#N ZINC000091005879 180084783 /nfs/dbraw/zinc/08/47/83/180084783.db2.gz HNBRAIYQJOJLJY-LBPRGKRZSA-N 1 0 269.348 2.306 10 30 CEEERO CSC1(C#N)CC[NH+](CC2(O)CCCCC2)CC1 ZINC000091472895 180165181 /nfs/dbraw/zinc/16/51/81/180165181.db2.gz GMQFZABJTNKKJK-UHFFFAOYSA-N 1 0 268.426 2.403 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091547301 180187441 /nfs/dbraw/zinc/18/74/41/180187441.db2.gz HHEXLNBGWWHFIA-QWHCGFSZSA-N 1 0 287.363 2.435 10 30 CEEERO CC[C@H]([NH2+]C)c1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091816637 180263158 /nfs/dbraw/zinc/26/31/58/180263158.db2.gz FWOZIPLREWBAOZ-HNNXBMFYSA-N 1 0 254.337 2.474 10 30 CEEERO CCN(CC)C(=O)Nc1ccc(C#CC[NH3+])cc1C ZINC000091962366 180293115 /nfs/dbraw/zinc/29/31/15/180293115.db2.gz ORADNCWEQCCORN-UHFFFAOYSA-N 1 0 259.353 2.179 10 30 CEEERO CC1CCC(C#N)([C@@](C)(O)[C@H]2CCC[NH2+]C2)CC1 ZINC000091879219 180279272 /nfs/dbraw/zinc/27/92/72/180279272.db2.gz ATWBWTJLOIFYSV-GQKFXUNGSA-N 1 0 250.386 2.457 10 30 CEEERO C[C@H]1C[NH+](CCOc2ccc(C#CCCO)cc2)C[C@@H]1C ZINC000092087056 180321657 /nfs/dbraw/zinc/32/16/57/180321657.db2.gz IZNMHCSMNLWGIE-HOTGVXAUSA-N 1 0 287.403 2.387 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000105913748 186089506 /nfs/dbraw/zinc/08/95/06/186089506.db2.gz DQKWVEVOZTZWJD-UHFFFAOYSA-N 1 0 252.745 2.074 10 30 CEEERO Cc1cc(NC(=O)c2sccc2C#CC[NH3+])ccn1 ZINC000092365923 180369256 /nfs/dbraw/zinc/36/92/56/180369256.db2.gz XBSHTUKLHNVVQB-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1cc(C)sc1C ZINC000092473658 180392753 /nfs/dbraw/zinc/39/27/53/180392753.db2.gz NJTUFKMHOFPCNM-SNVBAGLBSA-N 1 0 252.383 2.318 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@@H]1c1ccccc1C ZINC000092474880 180393750 /nfs/dbraw/zinc/39/37/50/180393750.db2.gz GQYNESZKZSIFJV-OAHLLOKOSA-N 1 0 258.365 2.434 10 30 CEEERO N#Cc1ccc(-c2csc(CN3CC[NH2+]CC3)n2)cc1 ZINC000109432443 186252484 /nfs/dbraw/zinc/25/24/84/186252484.db2.gz WIAICKUFTYAYHU-UHFFFAOYSA-N 1 0 284.388 2.087 10 30 CEEERO CC(C)(C#N)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000110513912 186299855 /nfs/dbraw/zinc/29/98/55/186299855.db2.gz ZYYKWFVQSSSDEA-UHFFFAOYSA-N 1 0 288.351 2.015 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)CC1 ZINC000110817792 186327586 /nfs/dbraw/zinc/32/75/86/186327586.db2.gz OZZVSIHOUGVOEE-ZDUSSCGKSA-N 1 0 288.366 2.398 10 30 CEEERO CN(CC1CCCC1)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000110847599 186328921 /nfs/dbraw/zinc/32/89/21/186328921.db2.gz XNGOUUDYSXPRFY-UHFFFAOYSA-N 1 0 288.366 2.398 10 30 CEEERO CCN(Cc1cn2ccccc2c1C#N)[C@H]1CCC[NH2+]C1 ZINC000110944130 186335688 /nfs/dbraw/zinc/33/56/88/186335688.db2.gz WYOMMFJSDXYNHO-HNNXBMFYSA-N 1 0 282.391 2.385 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110958429 186336985 /nfs/dbraw/zinc/33/69/85/186336985.db2.gz UUBJZKULSWCNFW-RYUDHWBXSA-N 1 0 262.353 2.084 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2ccncn2)c(F)c1 ZINC000111114971 186354110 /nfs/dbraw/zinc/35/41/10/186354110.db2.gz GMYQGRDXHLOHBX-UHFFFAOYSA-N 1 0 273.336 2.218 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](CC)CCOCC ZINC000111121652 186355259 /nfs/dbraw/zinc/35/52/59/186355259.db2.gz HRADUGSUZAUHSF-OAHLLOKOSA-N 1 0 269.433 2.407 10 30 CEEERO C[C@@H](CC(=O)Nc1ncc(C#CC[NH3+])s1)C(C)(C)C ZINC000111653342 186437108 /nfs/dbraw/zinc/43/71/08/186437108.db2.gz XUAYURALCQDKCC-JTQLQIEISA-N 1 0 279.409 2.464 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C#N)c(C)n1 ZINC000291773323 198087794 /nfs/dbraw/zinc/08/77/94/198087794.db2.gz BYXBBGSMZFCBEV-AWEZNQCLSA-N 1 0 258.369 2.182 10 30 CEEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1cnccn1 ZINC000072425461 363133853 /nfs/dbraw/zinc/13/38/53/363133853.db2.gz DHMCGRLBIRZWJX-ZDUSSCGKSA-N 1 0 279.409 2.239 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000155602046 188215567 /nfs/dbraw/zinc/21/55/67/188215567.db2.gz AOFPYTOXCKJFRQ-DOMZBBRYSA-N 1 0 271.364 2.017 10 30 CEEERO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000156666043 188275903 /nfs/dbraw/zinc/27/59/03/188275903.db2.gz MMUGTSZWCDZPSL-MRXNPFEDSA-N 1 0 298.365 2.181 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000252871647 283170882 /nfs/dbraw/zinc/17/08/82/283170882.db2.gz SYDOLFTZFPNKSH-RWMBFGLXSA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000228549691 283170989 /nfs/dbraw/zinc/17/09/89/283170989.db2.gz SYDOLFTZFPNKSH-YNEHKIRRSA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089092126 283179930 /nfs/dbraw/zinc/17/99/30/283179930.db2.gz JEVQNKZKQSDSRA-GHMZBOCLSA-N 1 0 260.297 2.006 10 30 CEEERO C[C@@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180169237 189240868 /nfs/dbraw/zinc/24/08/68/189240868.db2.gz CWOLTFIHSHONAB-ABAIWWIYSA-N 1 0 266.348 2.457 10 30 CEEERO COCC#CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000678758758 541169814 /nfs/dbraw/zinc/16/98/14/541169814.db2.gz FUBBPDDVISQXBT-GFCCVEGCSA-N 1 0 263.337 2.004 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068850 364037730 /nfs/dbraw/zinc/03/77/30/364037730.db2.gz LHCOYQLKBRVCAU-FZMZJTMJSA-N 1 0 291.351 2.326 10 30 CEEERO N#Cc1cc(F)ccc1N1CCC(OCCC[NH3+])CC1 ZINC000094073070 364250701 /nfs/dbraw/zinc/25/07/01/364250701.db2.gz WSZGEYTXANHBSR-UHFFFAOYSA-N 1 0 277.343 2.032 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](CCOc3cccc(C#N)c3)C2)cn1 ZINC000116311857 365049447 /nfs/dbraw/zinc/04/94/47/365049447.db2.gz IOGNYUUUUOTQAD-OAHLLOKOSA-N 1 0 296.374 2.160 10 30 CEEERO N#Cc1cc(F)c(N[C@H]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000335576284 212288093 /nfs/dbraw/zinc/28/80/93/212288093.db2.gz ARECLOJFSIYJBN-WPRPVWTQSA-N 1 0 251.280 2.376 10 30 CEEERO COc1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000342786910 367536421 /nfs/dbraw/zinc/53/64/21/367536421.db2.gz WDILKYLMTYYBMT-OLZOCXBDSA-N 1 0 260.337 2.356 10 30 CEEERO C=CCOCCCC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000173142879 367873198 /nfs/dbraw/zinc/87/31/98/367873198.db2.gz QTWCIERXSVVEMC-INIZCTEOSA-N 1 0 290.407 2.388 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000246013467 370900063 /nfs/dbraw/zinc/90/00/63/370900063.db2.gz LRSIFOGFCIDANW-BARDWOONSA-N 1 0 281.396 2.120 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000246394370 370956886 /nfs/dbraw/zinc/95/68/86/370956886.db2.gz BBJCIQFWUIKUQV-DOMZBBRYSA-N 1 0 273.355 2.366 10 30 CEEERO N#Cc1cccc(OCCCN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246527388 370973725 /nfs/dbraw/zinc/97/37/25/370973725.db2.gz PBHISXSBRTVYBA-KRWDZBQOSA-N 1 0 299.418 2.497 10 30 CEEERO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CCC1 ZINC000191300154 369699574 /nfs/dbraw/zinc/69/95/74/369699574.db2.gz QRSHVLLMDGELLF-CYBMUJFWSA-N 1 0 250.386 2.333 10 30 CEEERO C=CCOc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195329104 370125739 /nfs/dbraw/zinc/12/57/39/370125739.db2.gz PTNMILUZHUCJFJ-CQSZACIVSA-N 1 0 286.375 2.172 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nccc(C#N)c1Cl ZINC000235618771 189829278 /nfs/dbraw/zinc/82/92/78/189829278.db2.gz LUUGOSGYKZKVJI-SCZZXKLOSA-N 1 0 250.733 2.159 10 30 CEEERO C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@H]1[NH3+] ZINC000251657192 371410940 /nfs/dbraw/zinc/41/09/40/371410940.db2.gz GRWRFPQSOFNBDK-BXUZGUMPSA-N 1 0 270.380 2.006 10 30 CEEERO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@H]1[NH3+] ZINC000251657195 371411529 /nfs/dbraw/zinc/41/15/29/371411529.db2.gz GRWRFPQSOFNBDK-SMDDNHRTSA-N 1 0 270.380 2.006 10 30 CEEERO Cc1nc(N2CC[C@@]3(CC[NH2+]C3)C2)c(Cl)cc1C#N ZINC000261604449 371675747 /nfs/dbraw/zinc/67/57/47/371675747.db2.gz RBUZTSILTZBYOJ-CQSZACIVSA-N 1 0 276.771 2.105 10 30 CEEERO Cc1nc(N2CCC[C@@H](CC[NH3+])C2)c(Cl)cc1C#N ZINC000261631093 371684271 /nfs/dbraw/zinc/68/42/71/371684271.db2.gz VWLQLJBFPOPHRE-NSHDSACASA-N 1 0 278.787 2.480 10 30 CEEERO C[C@@H]([NH3+])[C@@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000381859169 375180153 /nfs/dbraw/zinc/18/01/53/375180153.db2.gz ZYLVHIVNMULLGN-RNFRBKRXSA-N 1 0 258.247 2.120 10 30 CEEERO N#Cc1cc(F)c(N[C@H](CC[NH3+])C(F)F)c(F)c1 ZINC000383392990 375201533 /nfs/dbraw/zinc/20/15/33/375201533.db2.gz PHLQUHHRZXGUEX-SECBINFHSA-N 1 0 261.222 2.231 10 30 CEEERO C[C@H]([NH3+])C[C@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000320642089 376825563 /nfs/dbraw/zinc/82/55/63/376825563.db2.gz IGFMMXSIIBLDJC-QWRGUYRKSA-N 1 0 258.369 2.370 10 30 CEEERO N#C[C@]1(N)CCC[C@H]1CC[NH+]1CCc2ccccc2CC1 ZINC000093574073 184691449 /nfs/dbraw/zinc/69/14/49/184691449.db2.gz UOHLGQBSJWKRAN-ZWKOTPCHSA-N 1 0 283.419 2.498 10 30 CEEERO CC(C)N(CC1CC[NH2+]CC1)C(=O)c1cccc(C#N)c1 ZINC000094023039 184751086 /nfs/dbraw/zinc/75/10/86/184751086.db2.gz NPNAJXOXAACDIS-UHFFFAOYSA-N 1 0 285.391 2.408 10 30 CEEERO CC[NH+](CC)CCN[C@@]1(C#N)CCCS[C@@H]1C ZINC000094479563 184808676 /nfs/dbraw/zinc/80/86/76/184808676.db2.gz FCCIRDMAPDVZRV-CHWSQXEVSA-N 1 0 255.431 2.096 10 30 CEEERO Cc1cscc1CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000094883585 184887174 /nfs/dbraw/zinc/88/71/74/184887174.db2.gz CSRLCBGKFHIALR-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2c(cc1C#N)CCC2 ZINC000083550658 135030048 /nfs/dbraw/zinc/03/00/48/135030048.db2.gz JDWJBABWJQDSCT-IUODEOHRSA-N 1 0 282.391 2.115 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000246093152 394508956 /nfs/dbraw/zinc/50/89/56/394508956.db2.gz HHWDDTPNVMXVIA-OLZOCXBDSA-N 1 0 289.404 2.319 10 30 CEEERO Cc1nc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261563975 394602894 /nfs/dbraw/zinc/60/28/94/394602894.db2.gz HDSKQSSWHOMZGZ-PSASIEDQSA-N 1 0 264.760 2.089 10 30 CEEERO C[C@H]1[C@@H]([NH3+])CCN1c1cc(C#N)c2ccccc2n1 ZINC000261590818 394603378 /nfs/dbraw/zinc/60/33/78/394603378.db2.gz LODBNTHXXNGPRP-GWCFXTLKSA-N 1 0 252.321 2.032 10 30 CEEERO N#Cc1nc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1Cl ZINC000112077176 394742621 /nfs/dbraw/zinc/74/26/21/394742621.db2.gz IWUJODPPVYXADG-LLVKDONJSA-N 1 0 276.771 2.281 10 30 CEEERO CNC(=O)[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000183680551 395261392 /nfs/dbraw/zinc/26/13/92/395261392.db2.gz ROLBWLGGWIHFSO-OAHLLOKOSA-N 1 0 287.407 2.348 10 30 CEEERO CCCCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000227889323 153356268 /nfs/dbraw/zinc/35/62/68/153356268.db2.gz RKDYOMGVAMSYCU-CJNGLKHVSA-N 1 0 276.380 2.386 10 30 CEEERO C[C@H]([NH2+][C@H]1CN2CCC1CC2)c1ccc(C#N)cc1 ZINC000019946631 170937139 /nfs/dbraw/zinc/93/71/39/170937139.db2.gz PBWUFSRTDAPHRF-LRDDRELGSA-N 1 0 255.365 2.303 10 30 CEEERO C[N@H+](CC/C(N)=N/O)Cc1cccc(C(F)(F)F)c1 ZINC000020525857 171238513 /nfs/dbraw/zinc/23/85/13/171238513.db2.gz APQHRHYOUWWXDW-UHFFFAOYSA-N 1 0 275.274 2.274 10 30 CEEERO C=CC[NH2+]Cc1ccccc1OCC(=O)NC(C)(C)C ZINC000020872422 171277460 /nfs/dbraw/zinc/27/74/60/171277460.db2.gz HDBUJFOFQIMIRJ-UHFFFAOYSA-N 1 0 276.380 2.256 10 30 CEEERO CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037508809 173242726 /nfs/dbraw/zinc/24/27/26/173242726.db2.gz IKGIUBGQIDHEDE-COPLHBTASA-N 1 0 259.353 2.109 10 30 CEEERO CC(C)(C)[C@H](C[NH3+])N(CCC#N)Cc1cccnc1 ZINC000043291841 174997408 /nfs/dbraw/zinc/99/74/08/174997408.db2.gz BQLJCULRPFTJON-AWEZNQCLSA-N 1 0 260.385 2.171 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043349993 175019430 /nfs/dbraw/zinc/01/94/30/175019430.db2.gz IACNVTBZDNGTBS-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO Cc1ccc(C#N)c(N[C@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000043395891 175035594 /nfs/dbraw/zinc/03/55/94/175035594.db2.gz RKWLMZRWYRCUAZ-ZDUSSCGKSA-N 1 0 256.353 2.348 10 30 CEEERO OCCC#Cc1ccc(C[N@@H+]2CCCSCC2)s1 ZINC000043678603 175089509 /nfs/dbraw/zinc/08/95/09/175089509.db2.gz HEVHMMQTFZCITA-UHFFFAOYSA-N 1 0 281.446 2.421 10 30 CEEERO CN(Cc1cscn1)Cc1cc(C#CC[NH3+])cs1 ZINC000043689137 175096266 /nfs/dbraw/zinc/09/62/66/175096266.db2.gz AIXNGJBGHWJKFT-UHFFFAOYSA-N 1 0 277.418 2.147 10 30 CEEERO CCO[C@@H]1CCC[N@H+](Cc2cc(C#CCCO)cs2)C1 ZINC000043698668 175096775 /nfs/dbraw/zinc/09/67/75/175096775.db2.gz HXZDTAKRZJFPKL-OAHLLOKOSA-N 1 0 293.432 2.483 10 30 CEEERO N#CC1(C(=O)N[C@@H]2C[NH+]3CCC2CC3)CCCCCC1 ZINC000044765006 175248762 /nfs/dbraw/zinc/24/87/62/175248762.db2.gz ATBXILIDEPETLP-CQSZACIVSA-N 1 0 275.396 2.061 10 30 CEEERO C[N@@H+]1CCC[C@H](CNC(=O)C2(C#N)CCCCCC2)C1 ZINC000044767393 175250123 /nfs/dbraw/zinc/25/01/23/175250123.db2.gz OTGRSIQUDPEVPB-CQSZACIVSA-N 1 0 277.412 2.309 10 30 CEEERO CC[NH+](CC)CCCNC(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044811014 175257846 /nfs/dbraw/zinc/25/78/46/175257846.db2.gz SGFZRQYDLYOFHU-MRXNPFEDSA-N 1 0 287.407 2.217 10 30 CEEERO C=C(Br)C[NH2+]C[C@H](C)N1CCCCC1 ZINC000044993094 175286786 /nfs/dbraw/zinc/28/67/86/175286786.db2.gz AHCYYELBGQSVDP-NSHDSACASA-N 1 0 261.207 2.359 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](C)[C@@H](C)COC ZINC000045314604 175356973 /nfs/dbraw/zinc/35/69/73/175356973.db2.gz WBESXGDPVHZEAA-UONOGXRCSA-N 1 0 255.406 2.015 10 30 CEEERO CCOC1CC[NH+](CCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045313046 175357331 /nfs/dbraw/zinc/35/73/31/175357331.db2.gz UFTALYXQPXGUOT-MRXNPFEDSA-N 1 0 279.428 2.302 10 30 CEEERO CCO[C@@H]1CCC[N@H+](CCCC[C@@](C)(C#N)NC)C1 ZINC000045320631 175359404 /nfs/dbraw/zinc/35/94/04/175359404.db2.gz JMNJWNBZIRRRQT-CABCVRRESA-N 1 0 267.417 2.159 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccc(F)cc1)N(CCC#N)CCOC ZINC000071221873 176087662 /nfs/dbraw/zinc/08/76/62/176087662.db2.gz RRXQVHWPOIFUTE-HOTGVXAUSA-N 1 0 293.386 2.466 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(Cc2ccc(F)cc2C#N)C1 ZINC000071264274 176097220 /nfs/dbraw/zinc/09/72/20/176097220.db2.gz FBSOADCPZGXXPJ-LBPRGKRZSA-N 1 0 261.344 2.129 10 30 CEEERO CC(C)[N@H+](CCCO)Cc1ccc(F)cc1C#N ZINC000071264606 176097950 /nfs/dbraw/zinc/09/79/50/176097950.db2.gz QNQABVAXEAOODZ-UHFFFAOYSA-N 1 0 250.317 2.290 10 30 CEEERO CCC[N@H+](CC)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266783 176100400 /nfs/dbraw/zinc/10/04/00/176100400.db2.gz VNVJKCPXQCIPDS-UHFFFAOYSA-N 1 0 253.321 2.152 10 30 CEEERO Cc1cc(N2CCCCCC2=O)ccc1C#CC[NH3+] ZINC000071278319 176107857 /nfs/dbraw/zinc/10/78/57/176107857.db2.gz ZVBRZKNBRPUXOH-UHFFFAOYSA-N 1 0 256.349 2.212 10 30 CEEERO N#Cc1cc2ccccc2nc1N[C@H]1CCC[C@@H]1[NH3+] ZINC000071386116 176147337 /nfs/dbraw/zinc/14/73/37/176147337.db2.gz MLFUMWBPMSAGKX-JSGCOSHPSA-N 1 0 252.321 2.398 10 30 CEEERO C[C@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCC[NH2+]1 ZINC000079513960 177511507 /nfs/dbraw/zinc/51/15/07/177511507.db2.gz AKCDZKPOJWOOTC-CYBMUJFWSA-N 1 0 263.728 2.292 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000334833086 225326696 /nfs/dbraw/zinc/32/66/96/225326696.db2.gz NJAUPBAABMNUGT-RISCZKNCSA-N 1 0 272.352 2.015 10 30 CEEERO C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000237834494 260708229 /nfs/dbraw/zinc/70/82/29/260708229.db2.gz SCGAPSZTNDLECU-UKRRQHHQSA-N 1 0 274.364 2.109 10 30 CEEERO C[NH+]=C(NC1CC1)N1CCC(Oc2ccccc2)CC1 ZINC000155721510 261106808 /nfs/dbraw/zinc/10/68/08/261106808.db2.gz SJIMPKUCUGLLAA-UHFFFAOYSA-N 1 0 273.380 2.268 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(F)c1C#N ZINC000188409767 262294999 /nfs/dbraw/zinc/29/49/99/262294999.db2.gz NQFHVGGFGATCAP-LBPRGKRZSA-N 1 0 289.354 2.254 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000398780043 268249190 /nfs/dbraw/zinc/24/91/90/268249190.db2.gz JTRGQGXJQJIKLZ-XHSDSOJGSA-N 1 0 256.349 2.151 10 30 CEEERO C[C@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1[NH3+] ZINC000169095225 274595367 /nfs/dbraw/zinc/59/53/67/274595367.db2.gz YLTBXYYUTNPUOF-CABZTGNLSA-N 1 0 294.196 2.494 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382443622 321840149 /nfs/dbraw/zinc/84/01/49/321840149.db2.gz HQNJYUONQIHGCR-DGCLKSJQSA-N 1 0 266.348 2.068 10 30 CEEERO C=CCCCC(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000175694700 329167898 /nfs/dbraw/zinc/16/78/98/329167898.db2.gz PRAMMBPMWPWATL-OAHLLOKOSA-N 1 0 282.428 2.302 10 30 CEEERO C=CCCOCC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186434556 329342313 /nfs/dbraw/zinc/34/23/13/329342313.db2.gz AKIOEOSJPWLXIH-GJZGRUSLSA-N 1 0 283.412 2.143 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000188059007 329364091 /nfs/dbraw/zinc/36/40/91/329364091.db2.gz RHKYPPUZIZBGJJ-ILXRZTDVSA-N 1 0 281.421 2.083 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000262422107 330009207 /nfs/dbraw/zinc/00/92/07/330009207.db2.gz RCFSBKPEOVEIQT-BYMSMCERSA-N 1 0 287.407 2.299 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C1 ZINC000262429873 330010067 /nfs/dbraw/zinc/01/00/67/330010067.db2.gz BNYDXJZHUWZGJF-BQDHKBFISA-N 1 0 269.392 2.371 10 30 CEEERO CC(C)c1nnc(CNC(=[NH2+])NC2CCCC2)s1 ZINC000262360890 330010657 /nfs/dbraw/zinc/01/06/57/330010657.db2.gz GUAXPEUJFZXTHD-UHFFFAOYSA-N 1 0 267.402 2.008 10 30 CEEERO COC1CCC(C)(CNC(=[NH2+])NCC(C)C)CC1 ZINC000262440457 330013093 /nfs/dbraw/zinc/01/30/93/330013093.db2.gz HNHZHXCOJAXUAY-UHFFFAOYSA-N 1 0 255.406 2.142 10 30 CEEERO [NH2+]=C(NC[C@@H](O)c1ccc(Cl)s1)NCC1CCC1 ZINC000262553162 330021162 /nfs/dbraw/zinc/02/11/62/330021162.db2.gz ZRSDMBQWXDECQJ-SECBINFHSA-N 1 0 287.816 2.139 10 30 CEEERO [NH2+]=C(NCC1CCC1)NCC1(C(F)(F)F)CCC1 ZINC000262634677 330023693 /nfs/dbraw/zinc/02/36/93/330023693.db2.gz GMHOYKDLEMIYII-UHFFFAOYSA-N 1 0 263.307 2.423 10 30 CEEERO CN1CCC[NH+]=C1NC[C@H]1CCO[C@@H]1c1ccccc1 ZINC000263129515 330045030 /nfs/dbraw/zinc/04/50/30/330045030.db2.gz MXDGIIUMHKKPMB-HUUCEWRRSA-N 1 0 273.380 2.045 10 30 CEEERO C[C@H](C#N)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130987353 333892837 /nfs/dbraw/zinc/89/28/37/333892837.db2.gz YLNHEIGGISEFMH-CHWSQXEVSA-N 1 0 281.400 2.383 10 30 CEEERO C=CCNC(=O)COc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000050209320 518896788 /nfs/dbraw/zinc/89/67/88/518896788.db2.gz XWQQRPLSNGKPCI-VIFPVBQESA-N 1 0 268.744 2.041 10 30 CEEERO C=CC[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000053345156 518951236 /nfs/dbraw/zinc/95/12/36/518951236.db2.gz CZCFSZNVTSVGCQ-UHFFFAOYSA-N 1 0 279.815 2.238 10 30 CEEERO CC#CCOc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000062727893 519345157 /nfs/dbraw/zinc/34/51/57/519345157.db2.gz IKUOIGNNUACCOQ-UHFFFAOYSA-N 1 0 297.782 2.487 10 30 CEEERO CC(C)[NH2+]Cc1nccn1Cc1ccc(C#N)cc1 ZINC000051005480 519729143 /nfs/dbraw/zinc/72/91/43/519729143.db2.gz BXDYPVLVGHYGFV-UHFFFAOYSA-N 1 0 254.337 2.301 10 30 CEEERO CC(C)N[C@](C#N)(CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069080466 519738773 /nfs/dbraw/zinc/73/87/73/519738773.db2.gz DTELOBNTIHQAOU-QGZVFWFLSA-N 1 0 292.471 2.073 10 30 CEEERO CC(C)C[NH2+]C[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000068760828 519744744 /nfs/dbraw/zinc/74/47/44/519744744.db2.gz ZDLKIWNSLSEBKA-INIZCTEOSA-N 1 0 286.423 2.411 10 30 CEEERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000049198032 519814622 /nfs/dbraw/zinc/81/46/22/519814622.db2.gz DKIBUYDRWVWAOO-INIZCTEOSA-N 1 0 275.396 2.265 10 30 CEEERO CC[C@@H](C#N)Oc1cc(C[NH2+]CCOC)ccc1[N+](=O)[O-] ZINC000062733399 521801937 /nfs/dbraw/zinc/80/19/37/521801937.db2.gz BDDGLWFKUPNHRQ-LBPRGKRZSA-N 1 0 293.323 2.012 10 30 CEEERO C[NH2+]CC[C@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000070194249 522018068 /nfs/dbraw/zinc/01/80/68/522018068.db2.gz YJIMAUJSIHPUDD-CYBMUJFWSA-N 1 0 288.351 2.435 10 30 CEEERO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183124135 522043985 /nfs/dbraw/zinc/04/39/85/522043985.db2.gz KHXPTZXRDORCJW-TZMCWYRMSA-N 1 0 290.363 2.103 10 30 CEEERO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183124089 522044043 /nfs/dbraw/zinc/04/40/43/522044043.db2.gz KHXPTZXRDORCJW-JSGCOSHPSA-N 1 0 290.363 2.103 10 30 CEEERO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCCCC[C@@H]1C#N ZINC000054825853 522155638 /nfs/dbraw/zinc/15/56/38/522155638.db2.gz NMTBPCQODWVLFB-MCIONIFRSA-N 1 0 265.401 2.353 10 30 CEEERO COc1cc(C[NH3+])cc(OC)c1OCCCCC#N ZINC000049578340 522362420 /nfs/dbraw/zinc/36/24/20/522362420.db2.gz WPBFUNPCCIDUOQ-UHFFFAOYSA-N 1 0 264.325 2.235 10 30 CEEERO CN(Cc1cccc(C#CC[NH3+])c1)C(=O)C(C)(C)C ZINC000049586899 523289984 /nfs/dbraw/zinc/28/99/84/523289984.db2.gz XWNJSZOYAKELQH-UHFFFAOYSA-N 1 0 258.365 2.001 10 30 CEEERO C[N@H+](Cc1cccc(C#CCO)c1)Cc1ccccn1 ZINC000049618627 523291060 /nfs/dbraw/zinc/29/10/60/523291060.db2.gz YESCVNZWSURPCB-UHFFFAOYSA-N 1 0 266.344 2.057 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCCO)C[C@H]1CCCO1 ZINC000049614100 523356867 /nfs/dbraw/zinc/35/68/67/523356867.db2.gz UUVUKUXIHQMAKU-QGZVFWFLSA-N 1 0 273.376 2.031 10 30 CEEERO CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609852 523508454 /nfs/dbraw/zinc/50/84/54/523508454.db2.gz FDIGPPOLTGVVHK-XJKSGUPXSA-N 1 0 290.382 2.135 10 30 CEEERO CN(C(=O)CC[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000061980532 523807690 /nfs/dbraw/zinc/80/76/90/523807690.db2.gz LWAQDWSMIXPFPE-CQSZACIVSA-N 1 0 271.364 2.301 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)[C@@H]1C ZINC000050568548 524208274 /nfs/dbraw/zinc/20/82/74/524208274.db2.gz VIRNBYHYEFTCST-CHWSQXEVSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049616081 524235643 /nfs/dbraw/zinc/23/56/43/524235643.db2.gz ZBSRZFXMQOQIRE-CYBMUJFWSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049618518 524320801 /nfs/dbraw/zinc/32/08/01/524320801.db2.gz BAEFMTBZNVFRMG-LBPRGKRZSA-N 1 0 261.340 2.400 10 30 CEEERO C[C@@H](NC(=O)c1ccoc1)c1cccc(C#CC[NH3+])c1 ZINC000049587206 525366731 /nfs/dbraw/zinc/36/67/31/525366731.db2.gz XCMZZJBTAWKFCR-GFCCVEGCSA-N 1 0 268.316 2.081 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050947817 526458036 /nfs/dbraw/zinc/45/80/36/526458036.db2.gz NNKBCQHKKJLUHZ-CQSZACIVSA-N 1 0 289.379 2.444 10 30 CEEERO N#CCc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000061611762 526483558 /nfs/dbraw/zinc/48/35/58/526483558.db2.gz DPCFKMOUPHFFMN-INIZCTEOSA-N 1 0 279.343 2.434 10 30 CEEERO N#C[C@@H](c1ccc2ncccc2c1)N1CCC[NH2+]CC1 ZINC000069503037 526498565 /nfs/dbraw/zinc/49/85/65/526498565.db2.gz LARTXMVSFDTRJA-INIZCTEOSA-N 1 0 266.348 2.095 10 30 CEEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826203 526501135 /nfs/dbraw/zinc/50/11/35/526501135.db2.gz ZPSFOIPCWSDBLZ-GXTWGEPZSA-N 1 0 259.309 2.419 10 30 CEEERO N#Cc1cc(N[C@H]2CCC[C@H]2[NH3+])nc2ccccc12 ZINC000068771102 526573864 /nfs/dbraw/zinc/57/38/64/526573864.db2.gz OHKPJMJXOJYAPD-OCCSQVGLSA-N 1 0 252.321 2.398 10 30 CEEERO N#Cc1cccc(-c2c[nH]c([C@H]3CCC[NH2+]C3)n2)c1 ZINC000070092730 526694218 /nfs/dbraw/zinc/69/42/18/526694218.db2.gz FYGTVTDKFVPHPB-ZDUSSCGKSA-N 1 0 252.321 2.415 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccccc2[N+](=O)[O-])cc1 ZINC000049611127 527149894 /nfs/dbraw/zinc/14/98/94/527149894.db2.gz RRUVNEHDNBOTTA-UHFFFAOYSA-N 1 0 282.299 2.484 10 30 CEEERO OCCC#Cc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049716609 527531551 /nfs/dbraw/zinc/53/15/51/527531551.db2.gz ZFXZFEALOQKVBE-DLBZAZTESA-N 1 0 285.387 2.284 10 30 CEEERO OCCC#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000049616763 527531773 /nfs/dbraw/zinc/53/17/73/527531773.db2.gz BOSFRONRUWQHTI-GOSISDBHSA-N 1 0 287.403 2.157 10 30 CEEERO C#C[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757133096 574826351 /nfs/dbraw/zinc/82/63/51/574826351.db2.gz GWBFQKVQHMSCBK-LLVKDONJSA-N 1 0 275.352 2.304 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235310783 625283190 /nfs/dbraw/zinc/28/31/90/625283190.db2.gz DGMRFUDNIACNER-NKWVEPMBSA-N 1 0 256.762 2.221 10 30 CEEERO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000185116618 625286630 /nfs/dbraw/zinc/28/66/30/625286630.db2.gz LAGWUVBVVWDJGS-IMJJTQAJSA-N 1 0 286.375 2.061 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)/C=C/c2ccccc2C#N)C1 ZINC000177057575 625420916 /nfs/dbraw/zinc/42/09/16/625420916.db2.gz LMKRBALSAKHBNS-KPBXEYHCSA-N 1 0 297.402 2.416 10 30 CEEERO COCC1(CNc2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000261867180 623502835 /nfs/dbraw/zinc/50/28/35/623502835.db2.gz YQKKEGSPHZJXPN-UHFFFAOYSA-N 1 0 277.343 2.125 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070171370 625071263 /nfs/dbraw/zinc/07/12/63/625071263.db2.gz LMTOXGJRSUIRJK-LLVKDONJSA-N 1 0 274.324 2.032 10 30 CEEERO C[C@@H]([NH3+])CN(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000310982546 627336116 /nfs/dbraw/zinc/33/61/16/627336116.db2.gz GEHCYCSHQIJJIS-MRVPVSSYSA-N 1 0 257.259 2.360 10 30 CEEERO CCCCCCC[NH+]1CCC([N@H+](C)CC(=O)[O-])CC1 ZINC000186679651 628256675 /nfs/dbraw/zinc/25/66/75/628256675.db2.gz HXPDTNSUGKHYFM-UHFFFAOYSA-N 1 0 270.417 2.438 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261751946 629183201 /nfs/dbraw/zinc/18/32/01/629183201.db2.gz TYZKZQFHDAYKHH-DOMZBBRYSA-N 1 0 278.359 2.295 10 30 CEEERO CC#CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000166183835 637254932 /nfs/dbraw/zinc/25/49/32/637254932.db2.gz ANGCLYXEMVXZKM-CHWSQXEVSA-N 1 0 266.385 2.293 10 30 CEEERO C=C(Cl)CN1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000105914983 640974208 /nfs/dbraw/zinc/97/42/08/640974208.db2.gz JTMHREJNZJFOON-ZDUSSCGKSA-N 1 0 260.809 2.172 10 30 CEEERO Cc1cc(C)c(C#N)c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000228550450 643376859 /nfs/dbraw/zinc/37/68/59/643376859.db2.gz FZHMTOUOTLBNES-NWANDNLSSA-N 1 0 270.380 2.134 10 30 CEEERO C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000096889348 185123715 /nfs/dbraw/zinc/12/37/15/185123715.db2.gz GCKZZRCPHYELPG-LBPRGKRZSA-N 1 0 274.324 2.363 10 30 CEEERO C[C@@H]1C[NH2+]CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000034472665 343420011 /nfs/dbraw/zinc/42/00/11/343420011.db2.gz GGWUVDPHMQZODB-SECBINFHSA-N 1 0 269.270 2.375 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1sccc1C#N ZINC000128173740 187355866 /nfs/dbraw/zinc/35/58/66/187355866.db2.gz OIROHVWXWCKIGI-GFCCVEGCSA-N 1 0 279.409 2.326 10 30 CEEERO CCc1nnc(N2CC[C@H]([NH3+])[C@H](CC)C2)c(C#N)c1CC ZINC000123040417 344308632 /nfs/dbraw/zinc/30/86/32/344308632.db2.gz QZLUPBHXZQTQHC-RISCZKNCSA-N 1 0 287.411 2.037 10 30 CEEERO CC[C@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000122994584 344308854 /nfs/dbraw/zinc/30/88/54/344308854.db2.gz CWMVCYKUHMNEKS-GWCFXTLKSA-N 1 0 265.307 2.400 10 30 CEEERO CCOC(=O)CC1=CSC(=C2C=CC(=O)C=C2)[NH2+]1 ZINC000136256082 344384662 /nfs/dbraw/zinc/38/46/62/344384662.db2.gz NOXLVLUSWILIFP-UHFFFAOYSA-N 1 0 263.318 2.024 10 30 CEEERO C=CCC[C@H](O)C[N@@H+](C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169677081 344481994 /nfs/dbraw/zinc/48/19/94/344481994.db2.gz ASDYXGPDSLHJGF-HOTGVXAUSA-N 1 0 288.391 2.439 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000171085777 344495151 /nfs/dbraw/zinc/49/51/51/344495151.db2.gz GADJXQUPGHAUQJ-CYBMUJFWSA-N 1 0 290.342 2.303 10 30 CEEERO CC[NH2+]CCCNc1nc(C)c(C#N)cc1Cl ZINC000310334254 344730466 /nfs/dbraw/zinc/73/04/66/344730466.db2.gz CHBDWBGJAXLIHV-UHFFFAOYSA-N 1 0 252.749 2.327 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1nc2c(cc1C#N)CCC2 ZINC000596029794 345925985 /nfs/dbraw/zinc/92/59/85/345925985.db2.gz APDLVKOUYYXISL-CYBMUJFWSA-N 1 0 258.369 2.227 10 30 CEEERO N#CCCN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000085357538 179030852 /nfs/dbraw/zinc/03/08/52/179030852.db2.gz USUGNKSMJCNHPO-LSDHHAIUSA-N 1 0 271.364 2.451 10 30 CEEERO Cc1nc(N[C@H]2CC[C@@H](C)[NH2+]C2)c(Cl)cc1C#N ZINC000600955869 346716719 /nfs/dbraw/zinc/71/67/19/346716719.db2.gz SVKHNIVBIPTAJU-KCJUWKMLSA-N 1 0 264.760 2.468 10 30 CEEERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C[NH3+] ZINC000600960866 346719218 /nfs/dbraw/zinc/71/92/18/346719218.db2.gz JGUGYLGHGSFMOR-WPRPVWTQSA-N 1 0 284.285 2.003 10 30 CEEERO C=C(C)C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000128476626 187373414 /nfs/dbraw/zinc/37/34/14/187373414.db2.gz HAFFDCHOCKKSRR-LLVKDONJSA-N 1 0 253.367 2.317 10 30 CEEERO C[C@H](C[NH+]1CCCC1)Nc1c(C#N)nnc2ccccc21 ZINC000085920248 179199390 /nfs/dbraw/zinc/19/93/90/179199390.db2.gz YCWQKWUYJCVNFI-GFCCVEGCSA-N 1 0 281.363 2.398 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2ccc(C#CC[NH3+])s2)CC[C@@H]1C ZINC000086081161 179227751 /nfs/dbraw/zinc/22/77/51/179227751.db2.gz MOSXLJYNVCAXKW-DMDPSCGWSA-N 1 0 276.405 2.223 10 30 CEEERO CN(c1nc2c(cc1C#N)CCC2)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112738 179706983 /nfs/dbraw/zinc/70/69/83/179706983.db2.gz XGRYXRRMJNGJRG-IUODEOHRSA-N 1 0 270.380 2.006 10 30 CEEERO Cc1ccc(C#N)c(N2C[C@H]3C[NH2+]C[C@@H]3C2(C)C)c1 ZINC000090338480 179965881 /nfs/dbraw/zinc/96/58/81/179965881.db2.gz ZAHOFXOPHDUZNZ-KGLIPLIRSA-N 1 0 255.365 2.301 10 30 CEEERO CC(C)[NH2+]Cc1cccc(SCC(=O)NCCC#N)c1 ZINC000090871974 180050046 /nfs/dbraw/zinc/05/00/46/180050046.db2.gz UDLRHTRNAJQGSN-UHFFFAOYSA-N 1 0 291.420 2.307 10 30 CEEERO [NH3+]CC#Cc1cccc(NC(=O)[C@H]2Cc3ccccc32)c1 ZINC000090985720 180080695 /nfs/dbraw/zinc/08/06/95/180080695.db2.gz MHEQPRKWAPFENB-KRWDZBQOSA-N 1 0 276.339 2.275 10 30 CEEERO N#Cc1cc(Cn2cc(C[NH3+])c3ccccc32)ccn1 ZINC000090995043 180082598 /nfs/dbraw/zinc/08/25/98/180082598.db2.gz WSVKNDUQNGNJCY-UHFFFAOYSA-N 1 0 262.316 2.415 10 30 CEEERO C=CCCC[C@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091567050 180194822 /nfs/dbraw/zinc/19/48/22/180194822.db2.gz XRCFDZUQTUARQO-AWEZNQCLSA-N 1 0 254.418 2.432 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000091543531 180185111 /nfs/dbraw/zinc/18/51/11/180185111.db2.gz PKBVQCGFLLREJL-WCBMZHEXSA-N 1 0 263.728 2.278 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)N2CCCCC2)cc1F ZINC000091969699 180294875 /nfs/dbraw/zinc/29/48/75/180294875.db2.gz AONFIXITBVENMZ-UHFFFAOYSA-N 1 0 275.327 2.154 10 30 CEEERO CC1CCN(C(=O)Nc2ccc(C#CC[NH3+])c(F)c2)CC1 ZINC000091992558 180300606 /nfs/dbraw/zinc/30/06/06/180300606.db2.gz RHXBCRWXRGCBLA-UHFFFAOYSA-N 1 0 289.354 2.400 10 30 CEEERO C[C@@H](CNCc1ccccc1OCC#N)[NH+]1CCCC1 ZINC000092022378 180308031 /nfs/dbraw/zinc/30/80/31/180308031.db2.gz QYGWGWCGIFVJBJ-AWEZNQCLSA-N 1 0 273.380 2.163 10 30 CEEERO C=C(C)C[C@@H]([NH2+]C)C1(N2CCOCC2)CCCC1 ZINC000092130260 180329798 /nfs/dbraw/zinc/32/97/98/180329798.db2.gz ZYRGEQXDVXKABZ-CQSZACIVSA-N 1 0 252.402 2.186 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1cc(Cl)ccc1C#N ZINC000092133113 180330618 /nfs/dbraw/zinc/33/06/18/180330618.db2.gz PHGGKHVTBNGDNH-QMMMGPOBSA-N 1 0 251.717 2.006 10 30 CEEERO C[C@H]1C[N@H+](Cc2ccc(F)c(C#CCO)c2)C[C@H]1C ZINC000092087037 180321329 /nfs/dbraw/zinc/32/13/29/180321329.db2.gz MQIJZKKCAXDFJZ-BETUJISGSA-N 1 0 261.340 2.257 10 30 CEEERO COc1ccc(C#CCO)c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000092087072 180321557 /nfs/dbraw/zinc/32/15/57/180321557.db2.gz FWMYASOORHVGGQ-ZIAGYGMSSA-N 1 0 273.376 2.127 10 30 CEEERO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202437 180342730 /nfs/dbraw/zinc/34/27/30/180342730.db2.gz USVBMSSSPWELFX-YPMHNXCESA-N 1 0 269.348 2.330 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](CCC)c1cccs1 ZINC000092475571 180393658 /nfs/dbraw/zinc/39/36/58/180393658.db2.gz MVALLGJFXYJEKC-LLVKDONJSA-N 1 0 252.383 2.481 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1c2nsnc2ccc1Cl ZINC000092476220 180393811 /nfs/dbraw/zinc/39/38/11/180393811.db2.gz RVBRNNYNOSBGLN-UHFFFAOYSA-N 1 0 282.756 2.059 10 30 CEEERO C#CCNC(=O)COc1cc(C)ccc1[C@H](C)[NH2+]CCC ZINC000110961823 186338270 /nfs/dbraw/zinc/33/82/70/186338270.db2.gz DKKUGWXJLYDBDK-AWEZNQCLSA-N 1 0 288.391 2.184 10 30 CEEERO C=CCN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)C1CCCC1 ZINC000111245053 186375896 /nfs/dbraw/zinc/37/58/96/186375896.db2.gz RRUWWGLELLYXDC-ZDUSSCGKSA-N 1 0 290.329 2.486 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H]1[NH+](C)C ZINC000123985090 187117242 /nfs/dbraw/zinc/11/72/42/187117242.db2.gz CFLIIVZKYOUAKY-LRDDRELGSA-N 1 0 280.375 2.493 10 30 CEEERO CC#CCC[N@@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000155547036 188212837 /nfs/dbraw/zinc/21/28/37/188212837.db2.gz YQJKTRVEEFACNJ-HNNXBMFYSA-N 1 0 260.385 2.020 10 30 CEEERO N#Cc1c(Br)cccc1N1CCC(C[NH3+])CC1 ZINC000228703612 283072217 /nfs/dbraw/zinc/07/22/17/283072217.db2.gz HOUPDMJGEPHQNC-UHFFFAOYSA-N 1 0 294.196 2.496 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000133682724 366246800 /nfs/dbraw/zinc/24/68/00/366246800.db2.gz JAEWNBZZXWUEAB-SECBINFHSA-N 1 0 265.307 2.400 10 30 CEEERO Cc1ccc(C#N)c(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000133692954 366247909 /nfs/dbraw/zinc/24/79/09/366247909.db2.gz SQXSWYHWNSRIAR-UHFFFAOYSA-N 1 0 270.380 2.230 10 30 CEEERO CC(C)(C)OC(=O)NC1CCC([NH3+])(CC#N)CC1 ZINC000575441366 366288756 /nfs/dbraw/zinc/28/87/56/366288756.db2.gz HIXCCMDHUUWELA-UHFFFAOYSA-N 1 0 253.346 2.065 10 30 CEEERO CC(C)N1C[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000151492420 366648109 /nfs/dbraw/zinc/64/81/09/366648109.db2.gz JBGCVUHOXPDCEO-BBRMVZONSA-N 1 0 257.381 2.377 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000070174864 296024936 /nfs/dbraw/zinc/02/49/36/296024936.db2.gz WFLBZRHGCLGBBI-ZYHUDNBSSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000083550769 363779666 /nfs/dbraw/zinc/77/96/66/363779666.db2.gz BTPOFVVQCLLREZ-CZUORRHYSA-N 1 0 255.365 2.227 10 30 CEEERO C#CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1CCCC1 ZINC000154938001 366799004 /nfs/dbraw/zinc/79/90/04/366799004.db2.gz QILQXBUMPHMSAI-CQSZACIVSA-N 1 0 253.386 2.040 10 30 CEEERO CC#CCC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000155855852 366823479 /nfs/dbraw/zinc/82/34/79/366823479.db2.gz ATBFHPIPGMABHJ-ZDUSSCGKSA-N 1 0 266.385 2.389 10 30 CEEERO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1CCCO ZINC000085148892 363831068 /nfs/dbraw/zinc/83/10/68/363831068.db2.gz KJMPBJVTBYEXAW-OAHLLOKOSA-N 1 0 262.328 2.434 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337333 364266547 /nfs/dbraw/zinc/26/65/47/364266547.db2.gz KELIMYCCKTUFTR-JTQLQIEISA-N 1 0 298.312 2.408 10 30 CEEERO CS(=O)(=O)OCC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095076612 364332971 /nfs/dbraw/zinc/33/29/71/364332971.db2.gz RTAULRCETRSRQQ-OAHLLOKOSA-N 1 0 297.420 2.265 10 30 CEEERO C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000094592180 364281278 /nfs/dbraw/zinc/28/12/78/364281278.db2.gz RRRNBCCMQQTVOJ-PWSUYJOCSA-N 1 0 274.324 2.266 10 30 CEEERO N#Cc1cc(F)c(N[C@H]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000335576280 212286760 /nfs/dbraw/zinc/28/67/60/212286760.db2.gz ARECLOJFSIYJBN-SCZZXKLOSA-N 1 0 251.280 2.376 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000118907468 365188386 /nfs/dbraw/zinc/18/83/86/365188386.db2.gz SXGAABYSBPBAKQ-AWEZNQCLSA-N 1 0 288.351 2.387 10 30 CEEERO N#Cc1c(CN2CC[N@@H+]3CCC[C@@H]3C2)cn2ccccc12 ZINC000171640217 367584152 /nfs/dbraw/zinc/58/41/52/367584152.db2.gz AFQMWRSUMJSUDK-OAHLLOKOSA-N 1 0 280.375 2.091 10 30 CEEERO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000245939492 370891292 /nfs/dbraw/zinc/89/12/92/370891292.db2.gz UOHKPAFKTXWBFI-KGLIPLIRSA-N 1 0 265.401 2.221 10 30 CEEERO COc1cc(C#N)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000246062683 370904988 /nfs/dbraw/zinc/90/49/88/370904988.db2.gz YLWBUWSYKURALV-CJNGLKHVSA-N 1 0 285.391 2.235 10 30 CEEERO COC(=O)[C@]1(C)CCCN1Cc1cc(C#N)cs1 ZINC000189991318 369585767 /nfs/dbraw/zinc/58/57/67/369585767.db2.gz PBVICHRCYPKRSD-ZDUSSCGKSA-N 1 0 264.350 2.147 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000192026000 369765377 /nfs/dbraw/zinc/76/53/77/369765377.db2.gz LMMYVYXAQWBPCQ-SWLSCSKDSA-N 1 0 273.355 2.366 10 30 CEEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCC#N ZINC000249707374 371354005 /nfs/dbraw/zinc/35/40/05/371354005.db2.gz BLKAZAPJVQRJGY-XQQFMLRXSA-N 1 0 250.342 2.096 10 30 CEEERO C[C@]1(C[NH3+])CCN(c2ccc(Br)cc2C#N)C1 ZINC000261559822 371648279 /nfs/dbraw/zinc/64/82/79/371648279.db2.gz UCLTXJAJMCHHMU-CYBMUJFWSA-N 1 0 294.196 2.496 10 30 CEEERO Cc1nc(N2C[C@H](C[NH3+])C[C@H]2C)c(Cl)cc1C#N ZINC000261578039 371659752 /nfs/dbraw/zinc/65/97/52/371659752.db2.gz OSNQBTZZLIWWSS-SCZZXKLOSA-N 1 0 264.760 2.089 10 30 CEEERO C[C@@H](C[NH3+])N(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000383018940 321845177 /nfs/dbraw/zinc/84/51/77/321845177.db2.gz NBIVAEKTLVNXPM-QMMMGPOBSA-N 1 0 257.259 2.360 10 30 CEEERO N#Cc1cccc(N[C@@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382443188 375186043 /nfs/dbraw/zinc/18/60/43/375186043.db2.gz HGXSKFWTSDSLIJ-WDEREUQCSA-N 1 0 260.297 2.148 10 30 CEEERO C[C@H](CC[NH3+])Nc1ccc(C#N)cc1Br ZINC000308817134 376583529 /nfs/dbraw/zinc/58/35/29/376583529.db2.gz BHNCEZAFUFJGIV-MRVPVSSYSA-N 1 0 268.158 2.470 10 30 CEEERO C[C@H](CCC[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000311906471 376692490 /nfs/dbraw/zinc/69/24/90/376692490.db2.gz RLXUCQPEYPKBFQ-LLVKDONJSA-N 1 0 258.369 2.371 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCO[C@H](C#N)C1 ZINC000093931110 184744979 /nfs/dbraw/zinc/74/49/79/184744979.db2.gz CTKRWYXZMWAPQJ-NRUUGDAUSA-N 1 0 299.827 2.404 10 30 CEEERO N#Cc1ccsc1NC(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094752640 184853099 /nfs/dbraw/zinc/85/30/99/184853099.db2.gz WVWANSOPQLWUBB-GHMZBOCLSA-N 1 0 263.366 2.466 10 30 CEEERO CC(C)CN(CCC#N)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094751726 184853377 /nfs/dbraw/zinc/85/33/77/184853377.db2.gz SFUPXJHRILSJFE-KBPBESRZSA-N 1 0 265.401 2.292 10 30 CEEERO N#Cc1ccccc1C[C@H]1COCC[C@H]1[NH2+]C1CC1 ZINC000095077184 184935595 /nfs/dbraw/zinc/93/55/95/184935595.db2.gz DXFGLRCTCIPLET-GOEBONIOSA-N 1 0 256.349 2.258 10 30 CEEERO N#Cc1nccn1[C@@H](C[NH3+])c1ccccc1Br ZINC000094936755 184896865 /nfs/dbraw/zinc/89/68/65/184896865.db2.gz RTQUGVLEFYHOHM-NSHDSACASA-N 1 0 291.152 2.065 10 30 CEEERO C=CCOc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000237992706 394493854 /nfs/dbraw/zinc/49/38/54/394493854.db2.gz LCSIRAJVCNRBHJ-VXGBXAGGSA-N 1 0 260.337 2.317 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCC[NH2+]C1 ZINC000094337437 394670498 /nfs/dbraw/zinc/67/04/98/394670498.db2.gz XDLFYPXQPFYZBR-SECBINFHSA-N 1 0 270.258 2.136 10 30 CEEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000533540458 395462575 /nfs/dbraw/zinc/46/25/75/395462575.db2.gz SDVNPVVLRDZNCO-HIFRSBDPSA-N 1 0 269.348 2.371 10 30 CEEERO N#Cc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000195075893 153276475 /nfs/dbraw/zinc/27/64/75/153276475.db2.gz QYBCJOIPSRVKHQ-KRWDZBQOSA-N 1 0 297.402 2.188 10 30 CEEERO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cccc(C#N)c1)CC2 ZINC000195405006 153288855 /nfs/dbraw/zinc/28/88/55/153288855.db2.gz MFOSXVIOLVTZDC-HNNXBMFYSA-N 1 0 295.390 2.378 10 30 CEEERO CN(CC(C)(C)C[NH3+])c1ncc(Br)cc1C#N ZINC000261552737 153757864 /nfs/dbraw/zinc/75/78/64/153757864.db2.gz NICDSCTXHPRLOO-UHFFFAOYSA-N 1 0 297.200 2.137 10 30 CEEERO N#Cc1c(Br)cccc1NCCC[NH3+] ZINC000165075856 162342191 /nfs/dbraw/zinc/34/21/91/162342191.db2.gz VVTUVNYLGUCJJC-UHFFFAOYSA-N 1 0 254.131 2.081 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1cccc(Br)c1C#N ZINC000169106290 165036460 /nfs/dbraw/zinc/03/64/60/165036460.db2.gz KQEYNDVRSWRJSJ-ZJUUUORDSA-N 1 0 294.196 2.494 10 30 CEEERO CC[NH+]1CCC(C#N)(NCc2ccccc2OC)CC1 ZINC000020178238 171043624 /nfs/dbraw/zinc/04/36/24/171043624.db2.gz QTCJNNKWYKWGHH-UHFFFAOYSA-N 1 0 273.380 2.163 10 30 CEEERO N#C[C@H](c1cc(Cl)cc(Cl)c1)N1CC[NH2+]CC1 ZINC000037425017 173199584 /nfs/dbraw/zinc/19/95/84/173199584.db2.gz QYILYKMBFDKBEG-GFCCVEGCSA-N 1 0 270.163 2.463 10 30 CEEERO C=C(Cl)COc1c(OC)cc(C[NH3+])cc1OC ZINC000037711604 173631438 /nfs/dbraw/zinc/63/14/38/173631438.db2.gz IRAIICNIILAJNH-UHFFFAOYSA-N 1 0 257.717 2.294 10 30 CEEERO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(C#N)ccc1F ZINC000038014756 173986947 /nfs/dbraw/zinc/98/69/47/173986947.db2.gz CELSGKSESUMEOO-NSHDSACASA-N 1 0 277.343 2.092 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499951 174296438 /nfs/dbraw/zinc/29/64/38/174296438.db2.gz VSXRZLYITQARHV-KBPBESRZSA-N 1 0 276.380 2.043 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1 ZINC000040634089 174360089 /nfs/dbraw/zinc/36/00/89/174360089.db2.gz UOELZBQJPDHMAX-AAEUAGOBSA-N 1 0 292.404 2.280 10 30 CEEERO CCN(c1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748807 174393930 /nfs/dbraw/zinc/39/39/30/174393930.db2.gz HGHPUNMYKQLNIX-PBWFPOADSA-N 1 0 256.353 2.063 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN(CC)CCO1 ZINC000657942990 415135439 /nfs/dbraw/zinc/13/54/39/415135439.db2.gz HWAQPFDINJUDIF-PMPSAXMXSA-N 1 0 266.429 2.432 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccc(C)s1)N(CC#N)CC#N ZINC000043239424 174988468 /nfs/dbraw/zinc/98/84/68/174988468.db2.gz IAGIMIUHTDOSBT-AAEUAGOBSA-N 1 0 262.382 2.184 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1ccccn1 ZINC000043341834 175015115 /nfs/dbraw/zinc/01/51/15/175015115.db2.gz LENPGYZIVRSCOT-OAHLLOKOSA-N 1 0 269.304 2.041 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349722 175019312 /nfs/dbraw/zinc/01/93/12/175019312.db2.gz YCENXNOUOHDBFD-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@@H]([NH3+])[C@@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376728 175030231 /nfs/dbraw/zinc/03/02/31/175030231.db2.gz DASNODLMSRZMBA-ZYHUDNBSSA-N 1 0 286.301 2.075 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385163 175031731 /nfs/dbraw/zinc/03/17/31/175031731.db2.gz HYIXJCIMPXJYDF-LDWIPMOCSA-N 1 0 262.206 2.354 10 30 CEEERO CC[C@H]1CO[C@H](C)CN1Cc1sccc1C#CC[NH3+] ZINC000043683984 175091756 /nfs/dbraw/zinc/09/17/56/175091756.db2.gz XOCYGZSFEBVBFR-OCCSQVGLSA-N 1 0 278.421 2.058 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2cccc(CO)c2)s1 ZINC000043685442 175093943 /nfs/dbraw/zinc/09/39/43/175093943.db2.gz QEDNVLRCXXQDNQ-UHFFFAOYSA-N 1 0 273.357 2.130 10 30 CEEERO CC[C@@H]1CO[C@H](C)CN1Cc1cc(C#CC[NH3+])cs1 ZINC000043689013 175095691 /nfs/dbraw/zinc/09/56/91/175095691.db2.gz OUECPBZJTHMKIS-TZMCWYRMSA-N 1 0 278.421 2.058 10 30 CEEERO Cc1nnc(NC[C@H](C)[NH+]2CCCCC2)c(C#N)c1C ZINC000045008796 175288739 /nfs/dbraw/zinc/28/87/39/175288739.db2.gz LLGWQVRFRFQTOB-NSHDSACASA-N 1 0 273.384 2.251 10 30 CEEERO CCCN[C@@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1 ZINC000045311515 175356184 /nfs/dbraw/zinc/35/61/84/175356184.db2.gz OYFQPXYKYHNIDY-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@H+](C)C1CCN(C)CC1 ZINC000045307884 175356687 /nfs/dbraw/zinc/35/66/87/175356687.db2.gz KCWHHNUPDIKLEF-MRXNPFEDSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC ZINC000045314641 175357491 /nfs/dbraw/zinc/35/74/91/175357491.db2.gz YFDIOAGECPCYOS-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)COC ZINC000045318859 175359049 /nfs/dbraw/zinc/35/90/49/175359049.db2.gz XHIZYBMOYWNVCQ-HOTGVXAUSA-N 1 0 299.459 2.032 10 30 CEEERO C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000071210979 176083232 /nfs/dbraw/zinc/08/32/32/176083232.db2.gz MISVUULBZLXWKY-IAQYHMDHSA-N 1 0 274.339 2.054 10 30 CEEERO C[C@H]1CCC[C@H]1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000071210980 176083241 /nfs/dbraw/zinc/08/32/41/176083241.db2.gz MISVUULBZLXWKY-XHDPSFHLSA-N 1 0 274.339 2.054 10 30 CEEERO CCCN(Cc1cn2ccccc2c1C#N)[C@H]1CC[NH2+]C1 ZINC000071331160 176124826 /nfs/dbraw/zinc/12/48/26/176124826.db2.gz UVUOGOJNHILALX-HNNXBMFYSA-N 1 0 282.391 2.385 10 30 CEEERO CCCN(c1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000071332638 176125761 /nfs/dbraw/zinc/12/57/61/176125761.db2.gz XTBHWZORYLIYOK-LBPRGKRZSA-N 1 0 274.324 2.045 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662637754 415914399 /nfs/dbraw/zinc/91/43/99/415914399.db2.gz XSLOEJZTRXKXRS-MCIONIFRSA-N 1 0 250.386 2.319 10 30 CEEERO C=CCNC(=O)C[C@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000076671061 177053584 /nfs/dbraw/zinc/05/35/84/177053584.db2.gz ATSGWLYMOQHVQU-CQSZACIVSA-N 1 0 260.381 2.346 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000334833084 225327236 /nfs/dbraw/zinc/32/72/36/225327236.db2.gz NJAUPBAABMNUGT-BXUZGUMPSA-N 1 0 272.352 2.015 10 30 CEEERO N#CCc1ccc(NC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414757425 263039508 /nfs/dbraw/zinc/03/95/08/263039508.db2.gz LDDABDUIYPVNNR-JSGCOSHPSA-N 1 0 272.352 2.002 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1F ZINC000399006249 268249102 /nfs/dbraw/zinc/24/91/02/268249102.db2.gz OUVXJJRYVUXOEN-AEGPPILISA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2cccc(Br)c2C#N)C[C@@H]1[NH3+] ZINC000235368400 274364952 /nfs/dbraw/zinc/36/49/52/274364952.db2.gz VLSVVCABOINKRB-KCJUWKMLSA-N 1 0 280.169 2.104 10 30 CEEERO Cc1nc(N2CC[C@H]([C@@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261563976 274842442 /nfs/dbraw/zinc/84/24/42/274842442.db2.gz HDSKQSSWHOMZGZ-SCZZXKLOSA-N 1 0 264.760 2.089 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261593251 274925188 /nfs/dbraw/zinc/92/51/88/274925188.db2.gz ZBVNESICMXCNDM-JKOKRWQUSA-N 1 0 261.756 2.385 10 30 CEEERO CC1(C)CN(c2cccc(C#N)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261865220 276136068 /nfs/dbraw/zinc/13/60/68/276136068.db2.gz YFGCEOPLHFOIOI-GFCCVEGCSA-N 1 0 274.324 2.030 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1OC ZINC000121117892 276183167 /nfs/dbraw/zinc/18/31/67/276183167.db2.gz YRUAMDRTBKFQFT-INIZCTEOSA-N 1 0 287.407 2.483 10 30 CEEERO C[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252170980 278343815 /nfs/dbraw/zinc/34/38/15/278343815.db2.gz NXTYBOBNTBCZBT-HZMBPMFUSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C[NH3+] ZINC000163978774 278558576 /nfs/dbraw/zinc/55/85/76/278558576.db2.gz ZXTLMEYMDYKTSM-KOLCDFICSA-N 1 0 298.312 2.393 10 30 CEEERO C=C(Cl)CNC(=[NH+]C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261661567 329975387 /nfs/dbraw/zinc/97/53/87/329975387.db2.gz FYRXKEMVMRCPHH-RYUDHWBXSA-N 1 0 255.793 2.436 10 30 CEEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261778278 329983074 /nfs/dbraw/zinc/98/30/74/329983074.db2.gz PXKJRJACZHHDSY-BETUJISGSA-N 1 0 295.427 2.026 10 30 CEEERO Cn1cc(-c2cccc(CNC(=[NH2+])NC3CCCC3)c2)cn1 ZINC000261936993 329989744 /nfs/dbraw/zinc/98/97/44/329989744.db2.gz FQFQXCOJIODFHB-UHFFFAOYSA-N 1 0 297.406 2.434 10 30 CEEERO C[NH+]=C(NCc1ccco1)N[C@H]1COc2ccc(F)cc21 ZINC000262414460 330008737 /nfs/dbraw/zinc/00/87/37/330008737.db2.gz PXFYBNFNQMBGEE-ZDUSSCGKSA-N 1 0 289.310 2.217 10 30 CEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])NC(C)C ZINC000262432444 330010262 /nfs/dbraw/zinc/01/02/62/330010262.db2.gz FKYPTKBGJQGRNY-UHFFFAOYSA-N 1 0 258.369 2.299 10 30 CEEERO CC(C)c1nnc(CNC(=[NH2+])N2CCC(C)CC2)s1 ZINC000262381788 330012032 /nfs/dbraw/zinc/01/20/32/330012032.db2.gz KOGAKGPLUUTGBX-UHFFFAOYSA-N 1 0 281.429 2.208 10 30 CEEERO C=C(Cl)CNC(=[NH2+])Nc1ccccc1COC ZINC000262477386 330016435 /nfs/dbraw/zinc/01/64/35/330016435.db2.gz ZYJVAKWQZLKYFB-UHFFFAOYSA-N 1 0 253.733 2.312 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@H]1[NH+]=C(N(C)C)N(C)C ZINC000262530010 330019802 /nfs/dbraw/zinc/01/98/02/330019802.db2.gz NDBNBMFEFZMQAK-GDBMZVCRSA-N 1 0 275.396 2.204 10 30 CEEERO [NH2+]=C(N[C@H]1COc2ccccc21)N1CCCCCC1 ZINC000262691313 330027718 /nfs/dbraw/zinc/02/77/18/330027718.db2.gz WFURXCGTSJIGHA-ZDUSSCGKSA-N 1 0 259.353 2.311 10 30 CEEERO [NH2+]=C(Nc1ccc2c(c1)OCCCO2)N[C@H]1C[C@@H]1C(F)F ZINC000262833308 330034770 /nfs/dbraw/zinc/03/47/70/330034770.db2.gz RVVBLZYEPGPCKC-UWVGGRQHSA-N 1 0 297.305 2.228 10 30 CEEERO COc1cccc(NC(=[NH2+])NCc2cnc(C3CC3)o2)c1 ZINC000263075741 330042385 /nfs/dbraw/zinc/04/23/85/330042385.db2.gz HFHYAPOMHKXKFW-UHFFFAOYSA-N 1 0 286.335 2.487 10 30 CEEERO [NH2+]=C(NCC[C@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccccn1 ZINC000263141154 330045546 /nfs/dbraw/zinc/04/55/46/330045546.db2.gz OHPWUEZGPXONDR-AGIUHOORSA-N 1 0 256.353 2.411 10 30 CEEERO C#CC[N@@H+](C[C@@H](O)COCCCC)C1CCCC1 ZINC000195183128 333247507 /nfs/dbraw/zinc/24/75/07/333247507.db2.gz LGLXENSGDYJWPI-OAHLLOKOSA-N 1 0 253.386 2.042 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000062746834 518283326 /nfs/dbraw/zinc/28/33/26/518283326.db2.gz RTEXCZSTYQGIDU-RYUDHWBXSA-N 1 0 292.354 2.013 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000183660822 518594959 /nfs/dbraw/zinc/59/49/59/518594959.db2.gz FKIJLHFRXRWDGN-GDBMZVCRSA-N 1 0 290.407 2.123 10 30 CEEERO C=C(C)COc1cc(C[NH2+]CCOC)ccc1[N+](=O)[O-] ZINC000062733384 518611928 /nfs/dbraw/zinc/61/19/28/518611928.db2.gz RLNUYZAJJWSNSR-UHFFFAOYSA-N 1 0 280.324 2.286 10 30 CEEERO CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC#N ZINC000062732024 518764709 /nfs/dbraw/zinc/76/47/09/518764709.db2.gz CGSRRDIJMFEEOX-UHFFFAOYSA-N 1 0 263.297 2.385 10 30 CEEERO C=CCN(CC=C)C[C@@]1(C[NH2+]C(C)C)CCOC1 ZINC000051216366 518770669 /nfs/dbraw/zinc/77/06/69/518770669.db2.gz ANCIRIHKFZYWMS-HNNXBMFYSA-N 1 0 252.402 2.065 10 30 CEEERO C=C[C@@H](C)Oc1ccc(OC)cc1C[NH2+]CCOC ZINC000062727753 519294684 /nfs/dbraw/zinc/29/46/84/519294684.db2.gz VCFUHVZNNRSTLT-GFCCVEGCSA-N 1 0 265.353 2.385 10 30 CEEERO CC(C)c1nccn1Cc1ccc(C#CC[NH3+])cc1 ZINC000049610131 519880345 /nfs/dbraw/zinc/88/03/45/519880345.db2.gz ZFENSIKGKYMJEM-UHFFFAOYSA-N 1 0 253.349 2.365 10 30 CEEERO CC[NH2+]C[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000061228983 519940121 /nfs/dbraw/zinc/94/01/21/519940121.db2.gz CNHYJRVCUWKYSL-SECBINFHSA-N 1 0 265.744 2.396 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615917 520130344 /nfs/dbraw/zinc/13/03/44/520130344.db2.gz BQQPSKIMBLOTIQ-HRCADAONSA-N 1 0 280.460 2.073 10 30 CEEERO CC[N@H+](CCOC)Cc1ccc(F)cc1C#CCCO ZINC000049614293 521135158 /nfs/dbraw/zinc/13/51/58/521135158.db2.gz DEQKJWHZNKZEIC-UHFFFAOYSA-N 1 0 279.355 2.028 10 30 CEEERO CC[C@@H]([NH3+])Cc1c(C)nn(Cc2ccnc(C#N)c2)c1C ZINC000068760715 522641933 /nfs/dbraw/zinc/64/19/33/522641933.db2.gz COAGKRAXBUIGHW-CQSZACIVSA-N 1 0 283.379 2.095 10 30 CEEERO COC1CC[NH+](Cc2ccc(C#CCCO)cc2)CC1 ZINC000049618089 522704702 /nfs/dbraw/zinc/70/47/02/522704702.db2.gz TYZNLUUHJOMGHM-UHFFFAOYSA-N 1 0 273.376 2.031 10 30 CEEERO COC1CC[NH+](Cc2ccccc2C#CCCO)CC1 ZINC000049618086 522705082 /nfs/dbraw/zinc/70/50/82/522705082.db2.gz DMOYIDMASAQXRZ-UHFFFAOYSA-N 1 0 273.376 2.031 10 30 CEEERO COCC1CC[NH+]([C@@H](C)C[C@@](C)(C#N)NC2CC2)CC1 ZINC000068616606 522935403 /nfs/dbraw/zinc/93/54/03/522935403.db2.gz ZNXLDMQRQPGBNH-BBRMVZONSA-N 1 0 279.428 2.158 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1Cn1ccnc1C(C)C ZINC000049610132 523517022 /nfs/dbraw/zinc/51/70/22/523517022.db2.gz FPTMAYJYAPLDBB-UHFFFAOYSA-N 1 0 283.375 2.374 10 30 CEEERO COCC[NH2+]Cc1cc(C)c(O[C@H](C)C#N)c(C)c1 ZINC000062728708 523948257 /nfs/dbraw/zinc/94/82/57/523948257.db2.gz BSBCLEXCXMHHRZ-CYBMUJFWSA-N 1 0 262.353 2.330 10 30 CEEERO COCC[NH2+]Cc1cccc(OCCCCC#N)c1 ZINC000062731744 523954572 /nfs/dbraw/zinc/95/45/72/523954572.db2.gz WTLSPRMKPGNRLV-UHFFFAOYSA-N 1 0 262.353 2.495 10 30 CEEERO Cc1cc(C(=O)NCc2ccccc2C#CC[NH3+])c(C)o1 ZINC000049586432 524109045 /nfs/dbraw/zinc/10/90/45/524109045.db2.gz GTPVTFUZTJSHJW-UHFFFAOYSA-N 1 0 282.343 2.137 10 30 CEEERO C[C@@H]1CCC[N@H+](Cc2ccccc2/C(N)=N/O)[C@@H]1C ZINC000050565010 524235496 /nfs/dbraw/zinc/23/54/96/524235496.db2.gz QWLFHXQNHBEIOU-VXGBXAGGSA-N 1 0 261.369 2.402 10 30 CEEERO C[C@H](C[NH+]1CCCC1)NCc1cc(C#N)ccc1F ZINC000049180284 524317250 /nfs/dbraw/zinc/31/72/50/524317250.db2.gz WBCZNZGXVDFUPH-GFCCVEGCSA-N 1 0 261.344 2.271 10 30 CEEERO C[C@@H](C1CC1)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049618493 524320703 /nfs/dbraw/zinc/32/07/03/524320703.db2.gz LAOJFEVPFIRNGQ-AWEZNQCLSA-N 1 0 273.376 2.140 10 30 CEEERO C[C@@H]1CCC[C@H](N(C)C(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000049629610 524390254 /nfs/dbraw/zinc/39/02/54/524390254.db2.gz CSMYRVZGSLEADW-CJNGLKHVSA-N 1 0 285.391 2.043 10 30 CEEERO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020529 524569760 /nfs/dbraw/zinc/56/97/60/524569760.db2.gz XYESILWNFZVNAL-YUELXQCFSA-N 1 0 271.364 2.227 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C ZINC000068796418 524666625 /nfs/dbraw/zinc/66/66/25/524666625.db2.gz SPZKQDWSPRXBIR-LBPRGKRZSA-N 1 0 266.348 2.247 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000183202198 525590750 /nfs/dbraw/zinc/59/07/50/525590750.db2.gz VZPZXKFCHKGUPU-TYNCELHUSA-N 1 0 287.363 2.042 10 30 CEEERO Cc1ccc(C(=O)N[C@H](C)c2cccc(C#CC[NH3+])c2)o1 ZINC000049587103 526210663 /nfs/dbraw/zinc/21/06/63/526210663.db2.gz RDFALDSWZFEPCM-CYBMUJFWSA-N 1 0 282.343 2.389 10 30 CEEERO C[C@H]1CCCC[N@@H+]1CCCNCc1ccnc(C#N)c1 ZINC000068751470 526249487 /nfs/dbraw/zinc/24/94/87/526249487.db2.gz SHXLWPNUNYAPHP-AWEZNQCLSA-N 1 0 272.396 2.307 10 30 CEEERO Cc1nn(Cc2ccc(C#N)cc2)c(C)c1C[C@H](C)[NH3+] ZINC000062803242 526288357 /nfs/dbraw/zinc/28/83/57/526288357.db2.gz WNFJJDOLVTVHNU-NSHDSACASA-N 1 0 268.364 2.310 10 30 CEEERO N#CC1(N2CCC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000055026492 526434240 /nfs/dbraw/zinc/43/42/40/526434240.db2.gz YDGAMNBIGPKVAW-UHFFFAOYSA-N 1 0 259.397 2.000 10 30 CEEERO N#CCCN(Cc1cc[nH+]c(NN)c1)c1ccccc1 ZINC000052724568 526459207 /nfs/dbraw/zinc/45/92/07/526459207.db2.gz YUNIJDPLUCIEPL-UHFFFAOYSA-N 1 0 267.336 2.287 10 30 CEEERO N#Cc1cccc(NC(=O)N2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000051359052 526719695 /nfs/dbraw/zinc/71/96/95/526719695.db2.gz CJRWFLRTKIFGNK-LSDHHAIUSA-N 1 0 284.363 2.307 10 30 CEEERO N#Cc1ncccc1COc1cccc(CC[NH3+])c1 ZINC000061659815 526791063 /nfs/dbraw/zinc/79/10/63/526791063.db2.gz WPSHYGAHBVHKHH-UHFFFAOYSA-N 1 0 253.305 2.033 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000049586241 527149840 /nfs/dbraw/zinc/14/98/40/527149840.db2.gz VSXUMGZMNZXHJH-GVDBMIGSSA-N 1 0 282.387 2.049 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)Nc2ccccc2)c1 ZINC000049587507 527152419 /nfs/dbraw/zinc/15/24/19/527152419.db2.gz VAJXFMBYYKGIAX-UHFFFAOYSA-N 1 0 279.343 2.319 10 30 CEEERO C[C@H]([NH3+])CN(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000310965156 627333999 /nfs/dbraw/zinc/33/39/99/627333999.db2.gz BDOALNPVOJHHBB-QMMMGPOBSA-N 1 0 257.259 2.360 10 30 CEEERO C#CCNC(N[C@@H]1CC(C)(C)Oc2ccccc21)=[NH+]CC ZINC000261946932 629371316 /nfs/dbraw/zinc/37/13/16/629371316.db2.gz GDIDRPRABGQZPL-CQSZACIVSA-N 1 0 285.391 2.477 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000229600040 639709526 /nfs/dbraw/zinc/70/95/26/639709526.db2.gz LNKRALAECPPZGC-BXKDBHETSA-N 1 0 260.297 2.019 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H](CC(C)C)C1 ZINC000152122051 640169727 /nfs/dbraw/zinc/16/97/27/640169727.db2.gz GEYMQJMGMUQOLR-PMPSAXMXSA-N 1 0 295.471 2.481 10 30 CEEERO C#CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000070246183 641650913 /nfs/dbraw/zinc/65/09/13/641650913.db2.gz RRAFMHQSWFJQQS-UHFFFAOYSA-N 1 0 251.713 2.224 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000250508818 642606316 /nfs/dbraw/zinc/60/63/16/642606316.db2.gz NKAZGSTYKKHEAQ-HNNXBMFYSA-N 1 0 278.359 2.391 10 30 CEEERO C#C[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123128338 648815818 /nfs/dbraw/zinc/81/58/18/648815818.db2.gz WEXLALXTIGAHAX-CHWSQXEVSA-N 1 0 266.385 2.245 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000216211643 652969717 /nfs/dbraw/zinc/96/97/17/652969717.db2.gz VLNIVLUZHKHKHT-SCZZXKLOSA-N 1 0 251.280 2.010 10 30 CEEERO C[N+](C)(CC(=O)NC(=O)Nc1ccccc1)C1CCCC1 ZINC000025203176 717113452 /nfs/dbraw/zinc/11/34/52/717113452.db2.gz DREYGTDFJIOCCJ-UHFFFAOYSA-O 1 0 290.387 2.354 10 30 CEEERO C=C(Br)CN1CCC[C@@H](C[NH2+]CC)C1 ZINC000082645864 178141648 /nfs/dbraw/zinc/14/16/48/178141648.db2.gz DHVZSYQJPYGWEQ-NSHDSACASA-N 1 0 261.207 2.217 10 30 CEEERO C=C(Br)CN1CCC[C@@H](C[NH2+]C2CC2)C1 ZINC000082645996 178141765 /nfs/dbraw/zinc/14/17/65/178141765.db2.gz LXSNTFRPSMZCKL-NSHDSACASA-N 1 0 273.218 2.359 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1C#N ZINC000175050999 529407325 /nfs/dbraw/zinc/40/73/25/529407325.db2.gz VNDZHJIDNOMZAQ-IAGOWNOFSA-N 1 0 299.418 2.496 10 30 CEEERO C#CCOc1cccc(C[NH2+]C[C@@H]2CCCN2CC)c1 ZINC000045946498 362171088 /nfs/dbraw/zinc/17/10/88/362171088.db2.gz QXUYLCAIOQGPMB-INIZCTEOSA-N 1 0 272.392 2.273 10 30 CEEERO N#Cc1cc(F)c(NCC2CC[NH2+]CC2)c(F)c1 ZINC000133667185 344370356 /nfs/dbraw/zinc/37/03/56/344370356.db2.gz DKMVTVNJGLZRIQ-UHFFFAOYSA-N 1 0 251.280 2.248 10 30 CEEERO C=C(Br)CN1CC[NH2+][C@@H](C(C)(C)C)C1 ZINC000168384207 344480438 /nfs/dbraw/zinc/48/04/38/344480438.db2.gz VFCFXZHCIPULBE-SNVBAGLBSA-N 1 0 261.207 2.215 10 30 CEEERO COC(=O)c1ccc(/C=[N+](\O)[C@]2(C)CCCCC2=O)cc1 ZINC000225396089 344545124 /nfs/dbraw/zinc/54/51/24/344545124.db2.gz LJNFBYWDTHIQGC-FEEIMYBTSA-N 1 0 290.339 2.196 10 30 CEEERO N#Cc1ccc(NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000404519593 344880937 /nfs/dbraw/zinc/88/09/37/344880937.db2.gz LZHDKIBEHNLUJY-UHFFFAOYSA-N 1 0 260.297 2.007 10 30 CEEERO N#Cc1cccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000594693387 345673006 /nfs/dbraw/zinc/67/30/06/345673006.db2.gz NOFGHJREEGUZSL-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336787714 365807496 /nfs/dbraw/zinc/80/74/96/365807496.db2.gz MMDDBPNFNACVIQ-XWLWVQCSSA-N 1 0 262.275 2.378 10 30 CEEERO N#CCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085362984 179034787 /nfs/dbraw/zinc/03/47/87/179034787.db2.gz FRZWXFQJOIPULC-UONOGXRCSA-N 1 0 273.336 2.045 10 30 CEEERO Cc1ccc(F)cc1COc1cncc(C#CC[NH3+])c1 ZINC000097854761 185673717 /nfs/dbraw/zinc/67/37/17/185673717.db2.gz USMDDTXGUQSPBD-UHFFFAOYSA-N 1 0 270.307 2.418 10 30 CEEERO Cc1ccc(CN2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1C#N ZINC000599338697 346501646 /nfs/dbraw/zinc/50/16/46/346501646.db2.gz VRRVBAPXJPGPDE-CJNGLKHVSA-N 1 0 257.381 2.249 10 30 CEEERO CCc1nnc(N[C@@H]2CC[NH2+][C@H]2CC)c(C#N)c1CC ZINC000600950997 346715238 /nfs/dbraw/zinc/71/52/38/346715238.db2.gz CRDBDSKCMGBXHP-UONOGXRCSA-N 1 0 273.384 2.025 10 30 CEEERO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C[NH2+]1 ZINC000600955020 346716291 /nfs/dbraw/zinc/71/62/91/346716291.db2.gz IGCFCKIQZZGUMQ-JOYOIKCWSA-N 1 0 260.297 2.019 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCCCC[C@H]([NH3+])C2)n1 ZINC000600959395 346718604 /nfs/dbraw/zinc/71/86/04/346718604.db2.gz VPQSRXWFXXIGHE-ZDUSSCGKSA-N 1 0 258.369 2.278 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H]1C[NH3+] ZINC000600962151 346719814 /nfs/dbraw/zinc/71/98/14/346719814.db2.gz ZBLZXQMGYNNSMX-MWLCHTKSSA-N 1 0 294.196 2.352 10 30 CEEERO CC1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CC[NH2+]CC1 ZINC000129451480 365859018 /nfs/dbraw/zinc/85/90/18/365859018.db2.gz YBSPMWDUPLMRAL-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CC[NH3+])cc2)[C@@H]1C ZINC000086081166 179227309 /nfs/dbraw/zinc/22/73/09/179227309.db2.gz UOTHYVLJBKRWEI-IOASZLSFSA-N 1 0 270.376 2.161 10 30 CEEERO CCC[NH2+][C@H]1CCN(c2cc(Cl)ccc2C#N)C1=O ZINC000086115372 179234375 /nfs/dbraw/zinc/23/43/75/179234375.db2.gz XGQYTPXVOYXGSV-LBPRGKRZSA-N 1 0 277.755 2.317 10 30 CEEERO C#CCN1C[C@](C)(c2ccccc2)[NH2+]C[C@H]1C(C)C ZINC000086222880 179250586 /nfs/dbraw/zinc/25/05/86/179250586.db2.gz WQKLJSDOSNPORT-DLBZAZTESA-N 1 0 256.393 2.465 10 30 CEEERO COC[C@H]([NH2+]Cc1cccc(OCC#N)c1)C(C)C ZINC000086683547 179319757 /nfs/dbraw/zinc/31/97/57/179319757.db2.gz OWGDEZQRTMVEQO-HNNXBMFYSA-N 1 0 262.353 2.350 10 30 CEEERO COc1ccc(C#CC[NH3+])c(Cn2ncc(Cl)c2C)c1 ZINC000087795450 179487120 /nfs/dbraw/zinc/48/71/20/179487120.db2.gz MKOVQPJBRCGKDB-UHFFFAOYSA-N 1 0 289.766 2.212 10 30 CEEERO CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089131934 179713372 /nfs/dbraw/zinc/71/33/72/179713372.db2.gz OGTHQFFRDMNVKB-CABCVRRESA-N 1 0 271.364 2.148 10 30 CEEERO N#Cc1cc(NC[C@H]([NH3+])C2CC2)nc2ccccc12 ZINC000129293559 187421932 /nfs/dbraw/zinc/42/19/32/187421932.db2.gz VHOJHFBJMYVKPU-ZDUSSCGKSA-N 1 0 252.321 2.256 10 30 CEEERO N#CCCN(C(=O)[C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000089450061 179792244 /nfs/dbraw/zinc/79/22/44/179792244.db2.gz XFXSUJNHBCPGRC-ZFWWWQNUSA-N 1 0 271.364 2.308 10 30 CEEERO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2CO)cc1C#N ZINC000089496152 179803770 /nfs/dbraw/zinc/80/37/70/179803770.db2.gz LHFHJZBMRFFRAN-ZIAGYGMSSA-N 1 0 274.364 2.065 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1OC1CC([NH3+])C1 ZINC000091463770 180162015 /nfs/dbraw/zinc/16/20/15/180162015.db2.gz GYZDSCRMMGNHPW-UHFFFAOYSA-N 1 0 256.227 2.446 10 30 CEEERO CC#CC[C@@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000091613164 180207874 /nfs/dbraw/zinc/20/78/74/180207874.db2.gz ZVDMUDOSYYXFFK-CVEARBPZSA-N 1 0 266.429 2.269 10 30 CEEERO C=C(CC)C[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091643053 180214261 /nfs/dbraw/zinc/21/42/61/180214261.db2.gz RSXNGHDRJTVUFT-AWEZNQCLSA-N 1 0 252.402 2.315 10 30 CEEERO C=CCC[C@H]([NH2+]CCC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722292 180239621 /nfs/dbraw/zinc/23/96/21/180239621.db2.gz ZIQXSQRZLIYCBM-ILXRZTDVSA-N 1 0 252.402 2.184 10 30 CEEERO N#Cc1ncccc1Cn1ccc([C@H]([NH3+])C2CC2)c1 ZINC000091834744 180267341 /nfs/dbraw/zinc/26/73/41/180267341.db2.gz GOAIQFHZOXWAMQ-OAHLLOKOSA-N 1 0 252.321 2.213 10 30 CEEERO CCN(CC)C(=O)Nc1ccc(C#CC[NH3+])c(C)c1 ZINC000091962364 180293004 /nfs/dbraw/zinc/29/30/04/180293004.db2.gz SXRYQNWNNJCBMK-UHFFFAOYSA-N 1 0 259.353 2.179 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000105996705 186097006 /nfs/dbraw/zinc/09/70/06/186097006.db2.gz NVOZQCMEVIVRIS-NSHDSACASA-N 1 0 250.317 2.121 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(N(C)C)c(Cl)c1 ZINC000092474471 180393661 /nfs/dbraw/zinc/39/36/61/180393661.db2.gz WUNFEDQLXKHQPA-UHFFFAOYSA-N 1 0 267.760 2.120 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCCCC[C@H]1c1cccn1C ZINC000092474537 180393920 /nfs/dbraw/zinc/39/39/20/180393920.db2.gz FFFDTCNJXIGNBC-HNNXBMFYSA-N 1 0 275.396 2.244 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000092475566 180394200 /nfs/dbraw/zinc/39/42/00/180394200.db2.gz CSRFXRPIDHVWJY-UHFFFAOYSA-N 1 0 253.371 2.155 10 30 CEEERO C=CC[NH2+]CC(=O)N(CCC)Cc1ccc(C#N)cc1 ZINC000092474696 180394253 /nfs/dbraw/zinc/39/42/53/180394253.db2.gz GDLVQIDRVDRTKQ-UHFFFAOYSA-N 1 0 271.364 2.072 10 30 CEEERO CN(CC1CCCC1)C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000110847585 186328698 /nfs/dbraw/zinc/32/86/98/186328698.db2.gz GJRQRUKLLRVPIV-UHFFFAOYSA-N 1 0 288.366 2.398 10 30 CEEERO CN(c1nc2c(cc1C#N)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000110932185 186333478 /nfs/dbraw/zinc/33/34/78/186333478.db2.gz CINXKDVPMXDUFD-CQSZACIVSA-N 1 0 270.380 2.020 10 30 CEEERO CCCN(c1nc(C)ccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000110948509 186335581 /nfs/dbraw/zinc/33/55/81/186335581.db2.gz MONVLDRXHOYDQP-CQSZACIVSA-N 1 0 258.369 2.230 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCOC1 ZINC000111168317 186364267 /nfs/dbraw/zinc/36/42/67/186364267.db2.gz JDSDGFKVNWQXPU-GOSISDBHSA-N 1 0 287.403 2.279 10 30 CEEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000111267556 186382857 /nfs/dbraw/zinc/38/28/57/186382857.db2.gz MQUYZUXJJFLZMG-DOMZBBRYSA-N 1 0 287.363 2.163 10 30 CEEERO C[NH2+]CCC1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000070190179 363052194 /nfs/dbraw/zinc/05/21/94/363052194.db2.gz JAZIRVJHRRZLDZ-UHFFFAOYSA-N 1 0 284.407 2.268 10 30 CEEERO C=CCC[C@H](CN(C)CC[NH+](C)C)Oc1nccs1 ZINC000072426663 363134657 /nfs/dbraw/zinc/13/46/57/363134657.db2.gz XINIDRXHSBYCBV-CYBMUJFWSA-N 1 0 283.441 2.350 10 30 CEEERO N#Cc1cc(Br)ccc1N[C@H]1CCC[NH2+]C1 ZINC000132702537 187643058 /nfs/dbraw/zinc/64/30/58/187643058.db2.gz OCEFIBYMUUWEHJ-NSHDSACASA-N 1 0 280.169 2.485 10 30 CEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000154089213 188123046 /nfs/dbraw/zinc/12/30/46/188123046.db2.gz FOOSOWDAPRLCOZ-RISCZKNCSA-N 1 0 263.410 2.438 10 30 CEEERO N#Cc1cccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000252878308 283209913 /nfs/dbraw/zinc/20/99/13/283209913.db2.gz YFKKMWARTOGPNW-RWMBFGLXSA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1ccnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1Cl ZINC000261570636 283224327 /nfs/dbraw/zinc/22/43/27/283224327.db2.gz PEVFUGFHWJJLMR-TUAOUCFPSA-N 1 0 276.771 2.170 10 30 CEEERO CC(C)N1C[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000151554253 366652227 /nfs/dbraw/zinc/65/22/27/366652227.db2.gz YIXSIHILDZBDDG-BBRMVZONSA-N 1 0 257.381 2.377 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000579693322 366684908 /nfs/dbraw/zinc/68/49/08/366684908.db2.gz SPKNOCUGSLKVLV-INIZCTEOSA-N 1 0 270.380 2.150 10 30 CEEERO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C#N)CC1 ZINC000156028764 366825597 /nfs/dbraw/zinc/82/55/97/366825597.db2.gz WBPVBMQYWHMVAN-AWEZNQCLSA-N 1 0 263.385 2.011 10 30 CEEERO CC(C)C[N@@H+]1CCCC[C@H]1CNc1ccc(C#N)nn1 ZINC000301946346 201272906 /nfs/dbraw/zinc/27/29/06/201272906.db2.gz HAKNIPUKVKIZGZ-AWEZNQCLSA-N 1 0 273.384 2.271 10 30 CEEERO N#Cc1ccc(N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000094592275 364281433 /nfs/dbraw/zinc/28/14/33/364281433.db2.gz XKTMWBKGIDOKAE-UHFFFAOYSA-N 1 0 274.324 2.032 10 30 CEEERO COc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000342786908 367536296 /nfs/dbraw/zinc/53/62/96/367536296.db2.gz WDILKYLMTYYBMT-CHWSQXEVSA-N 1 0 260.337 2.356 10 30 CEEERO C#CCOc1ccc(C(=O)N2CCN3CCCC[C@H]3C2)cc1 ZINC000172807136 367822350 /nfs/dbraw/zinc/82/23/50/367822350.db2.gz YKLAVROGAMYWFQ-INIZCTEOSA-N 1 0 298.386 2.009 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000246076081 370905830 /nfs/dbraw/zinc/90/58/30/370905830.db2.gz YPDKXCBIBORESX-HOTGVXAUSA-N 1 0 289.423 2.451 10 30 CEEERO C=CC(C)(C)CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000638455355 370543144 /nfs/dbraw/zinc/54/31/44/370543144.db2.gz VCSMNWHVDLIMGX-UHFFFAOYSA-N 1 0 282.428 2.111 10 30 CEEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000246806815 371013258 /nfs/dbraw/zinc/01/32/58/371013258.db2.gz BNNFUUBFZGJQPP-WMLDXEAASA-N 1 0 285.391 2.026 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc(C#N)cc1 ZINC000247207405 371077491 /nfs/dbraw/zinc/07/74/91/371077491.db2.gz LVOOIOWLVPVPIN-ZBFHGGJFSA-N 1 0 285.391 2.106 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc(C#N)c1 ZINC000247524616 371119847 /nfs/dbraw/zinc/11/98/47/371119847.db2.gz WZHXGNMVPYZCIE-ZBFHGGJFSA-N 1 0 285.391 2.106 10 30 CEEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C#N)cc1Br ZINC000261532596 371639718 /nfs/dbraw/zinc/63/97/18/371639718.db2.gz JXCXFYILUYTHMA-SFYZADRCSA-N 1 0 268.158 2.468 10 30 CEEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382472876 375187635 /nfs/dbraw/zinc/18/76/35/375187635.db2.gz QYXJHJSIKLHUIU-ONGXEEELSA-N 1 0 260.297 2.006 10 30 CEEERO CC(C)[C@H](C)CNC(=O)c1ccccc1C#CC[NH3+] ZINC000081109445 177770822 /nfs/dbraw/zinc/77/08/22/177770822.db2.gz MKKLJHLRMBYUBU-CYBMUJFWSA-N 1 0 258.365 2.019 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCCN1C[C@@H](C#N)c1ccccc1 ZINC000080787105 177706772 /nfs/dbraw/zinc/70/67/72/177706772.db2.gz RHROQCYCJDPEGY-NUEKZKHPSA-N 1 0 257.381 2.495 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000160919719 262304410 /nfs/dbraw/zinc/30/44/10/262304410.db2.gz KTSZLNVWJMYAQI-KBPBESRZSA-N 1 0 268.426 2.260 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N1CCO[C@H](C#N)C1 ZINC000093930577 184745251 /nfs/dbraw/zinc/74/52/51/184745251.db2.gz KWWALQKDBKDGQD-QLFBSQMISA-N 1 0 293.798 2.343 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2csc(C#CC[NH3+])c2)CC1 ZINC000093976486 184747124 /nfs/dbraw/zinc/74/71/24/184747124.db2.gz URCAEHHBKSIACX-GFCCVEGCSA-N 1 0 276.405 2.321 10 30 CEEERO Cc1nnc(SCc2cc(F)cc(C#CC[NH3+])c2)o1 ZINC000093994243 184748921 /nfs/dbraw/zinc/74/89/21/184748921.db2.gz RQWCJHKRBMJYNZ-UHFFFAOYSA-N 1 0 277.324 2.120 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]1CCC[NH2+]C1 ZINC000094337347 184783612 /nfs/dbraw/zinc/78/36/12/184783612.db2.gz IOZXOMIHTQWMEU-SECBINFHSA-N 1 0 284.285 2.384 10 30 CEEERO N#Cc1ncccc1COc1c(F)cc(CC[NH3+])cc1F ZINC000094349703 184786778 /nfs/dbraw/zinc/78/67/78/184786778.db2.gz CUPTYXVZYBWXFA-UHFFFAOYSA-N 1 0 289.285 2.312 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCC[C@H]1[NH3+] ZINC000094751365 184853386 /nfs/dbraw/zinc/85/33/86/184853386.db2.gz TWACVSYNCQIIKS-HZPDHXFCSA-N 1 0 285.391 2.424 10 30 CEEERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)n1ccnc1C#N ZINC000094936812 184897120 /nfs/dbraw/zinc/89/71/20/184897120.db2.gz QULFOQLEXYOLAO-NOZJJQNGSA-N 1 0 260.728 2.345 10 30 CEEERO N#Cc1nnc2ccccc2c1N1CCC(CC[NH3+])CC1 ZINC000085921071 135038532 /nfs/dbraw/zinc/03/85/32/135038532.db2.gz NLBZWFYNKDCUKK-UHFFFAOYSA-N 1 0 281.363 2.067 10 30 CEEERO N#Cc1ccc(N2CCC[C@H]([NH3+])C2=O)cc1C(F)(F)F ZINC000088191974 135052990 /nfs/dbraw/zinc/05/29/90/135052990.db2.gz BDBOEODALKLZQS-NSHDSACASA-N 1 0 283.253 2.031 10 30 CEEERO Cc1ccc(C#N)c(N2CCC(OCCC[NH3+])CC2)c1 ZINC000094073089 135083338 /nfs/dbraw/zinc/08/33/38/135083338.db2.gz YQXMFVZISVGAKH-UHFFFAOYSA-N 1 0 273.380 2.201 10 30 CEEERO Cc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)c(C#N)c(C)n1 ZINC000251075747 394566352 /nfs/dbraw/zinc/56/63/52/394566352.db2.gz PBODXILEPUZZRQ-AWEZNQCLSA-N 1 0 270.380 2.245 10 30 CEEERO Cc1nc(N2CCC[C@@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000261567401 394602777 /nfs/dbraw/zinc/60/27/77/394602777.db2.gz INVSQZGATLZWGH-JTQLQIEISA-N 1 0 264.760 2.090 10 30 CEEERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000111830494 394741627 /nfs/dbraw/zinc/74/16/27/394741627.db2.gz AZGCMJXMOWPQEE-LLVKDONJSA-N 1 0 262.313 2.252 10 30 CEEERO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C#N)c(C)n1 ZINC000129089531 394858860 /nfs/dbraw/zinc/85/88/60/394858860.db2.gz NLBZZZQMFRRHNW-ZBFHGGJFSA-N 1 0 284.407 2.491 10 30 CEEERO C[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C[NH3+] ZINC000163978889 395085328 /nfs/dbraw/zinc/08/53/28/395085328.db2.gz ZXTLMEYMDYKTSM-ONGXEEELSA-N 1 0 298.312 2.393 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000287421741 395041331 /nfs/dbraw/zinc/04/13/31/395041331.db2.gz QGSWPZZJTKNQOV-IUCAKERBSA-N 1 0 282.800 2.341 10 30 CEEERO Cc1cnn([C@@H]2CCC[N@H+](CCCSCC#N)C2)c1 ZINC000173888427 395116882 /nfs/dbraw/zinc/11/68/82/395116882.db2.gz OSGKONLDMPXSMR-CQSZACIVSA-N 1 0 278.425 2.475 10 30 CEEERO CC(C)[NH2+]CCCNc1c(C#N)cnc2ccccc21 ZINC000519533258 395196216 /nfs/dbraw/zinc/19/62/16/395196216.db2.gz QCAFXBVOFBWUPZ-UHFFFAOYSA-N 1 0 268.364 2.328 10 30 CEEERO N#Cc1cc(F)ccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000193724532 153240823 /nfs/dbraw/zinc/24/08/23/153240823.db2.gz AFZWOQQSQXVQGB-ZDUSSCGKSA-N 1 0 288.326 2.009 10 30 CEEERO N#Cc1cccc(C#N)c1NCC[NH+]1CCCCC1 ZINC000302858523 154200286 /nfs/dbraw/zinc/20/02/86/154200286.db2.gz SZRBIOGWVHVWDG-UHFFFAOYSA-N 1 0 254.337 2.328 10 30 CEEERO N#Cc1ccc(NC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000169223217 165036346 /nfs/dbraw/zinc/03/63/46/165036346.db2.gz QEASNGHHYYACDT-SNVBAGLBSA-N 1 0 280.169 2.485 10 30 CEEERO N#Cc1ccc(NC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000169228033 165037861 /nfs/dbraw/zinc/03/78/61/165037861.db2.gz GFYNQJYSPWDYDI-JTQLQIEISA-N 1 0 280.169 2.342 10 30 CEEERO N#C[C@@]1(N2CC[NH2+]CC2)CCCCc2ccccc21 ZINC000019264464 170764010 /nfs/dbraw/zinc/76/40/10/170764010.db2.gz FTURJTURSHCUAQ-INIZCTEOSA-N 1 0 255.365 2.037 10 30 CEEERO C#CC[NH+]1CCC(Nc2c(F)cccc2F)CC1 ZINC000037247274 173060554 /nfs/dbraw/zinc/06/05/54/173060554.db2.gz UTWHLRYKZHJVRA-UHFFFAOYSA-N 1 0 250.292 2.474 10 30 CEEERO N#CCCN(C(=O)C[NH2+]C1CCCC1)c1ccccc1 ZINC000037387046 173170648 /nfs/dbraw/zinc/17/06/48/173170648.db2.gz BXWZQNCSMMURJI-UHFFFAOYSA-N 1 0 271.364 2.465 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc([C@H]([NH3+])CC)cc1 ZINC000037697956 173622322 /nfs/dbraw/zinc/62/23/22/173622322.db2.gz RJIJMWNTIXKBFG-SMDDNHRTSA-N 1 0 262.353 2.166 10 30 CEEERO C[C@@H]([NH3+])CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000040853009 174421592 /nfs/dbraw/zinc/42/15/92/174421592.db2.gz RRCPOKKIALQBCT-DTWKUNHWSA-N 1 0 277.393 2.420 10 30 CEEERO Cc1c(F)cccc1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000043322881 175006489 /nfs/dbraw/zinc/00/64/89/175006489.db2.gz LHUUVHLNQYNUEB-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](c1ccccn1)[C@@H](C)[NH3+] ZINC000043341841 175015131 /nfs/dbraw/zinc/01/51/31/175015131.db2.gz SKOFNMKQORVHBX-BDJLRTHQSA-N 1 0 283.331 2.429 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043349991 175019133 /nfs/dbraw/zinc/01/91/33/175019133.db2.gz IACNVTBZDNGTBS-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1ccc(CC#N)cc1)C(F)(F)F ZINC000043383446 175031189 /nfs/dbraw/zinc/03/11/89/175031189.db2.gz AAQKZELMCPIKKQ-LDYMZIIASA-N 1 0 258.243 2.410 10 30 CEEERO OCC#Cc1ccsc1C[N@@H+]1CCCSCC1 ZINC000043678605 175089784 /nfs/dbraw/zinc/08/97/84/175089784.db2.gz BTNPMUGPWHTSMA-UHFFFAOYSA-N 1 0 267.419 2.031 10 30 CEEERO CN(Cc1sccc1C#CC[NH3+])CC(F)(F)F ZINC000043683798 175091599 /nfs/dbraw/zinc/09/15/99/175091599.db2.gz LESSWYGEHKZWMB-UHFFFAOYSA-N 1 0 262.300 2.052 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])s1)CC(F)(F)F ZINC000043683797 175092108 /nfs/dbraw/zinc/09/21/08/175092108.db2.gz OLEFDTVCAQNHMA-UHFFFAOYSA-N 1 0 262.300 2.052 10 30 CEEERO CN(Cc1cscn1)Cc1ccc(C#CC[NH3+])s1 ZINC000043684271 175092557 /nfs/dbraw/zinc/09/25/57/175092557.db2.gz RRNNZUOBXAJVSK-UHFFFAOYSA-N 1 0 277.418 2.147 10 30 CEEERO [NH3+]CC#Cc1ccc(Cn2cnc3ccccc32)s1 ZINC000043684350 175093282 /nfs/dbraw/zinc/09/32/82/175093282.db2.gz VYVJSGNYDOCNPV-UHFFFAOYSA-N 1 0 267.357 2.456 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1cccc(C#CC[NH3+])c1 ZINC000045091834 175305994 /nfs/dbraw/zinc/30/59/94/175305994.db2.gz DQJTZFHGTSOCQI-UHFFFAOYSA-N 1 0 258.365 2.115 10 30 CEEERO CCC[NH+]1CCN(CCCC[C@](C)(C#N)NCC)CC1 ZINC000045306464 175355608 /nfs/dbraw/zinc/35/56/08/175355608.db2.gz RGLQKGBYPLIBNT-MRXNPFEDSA-N 1 0 280.460 2.076 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[N@@H+]1CCCN(C)CC1 ZINC000045308404 175356801 /nfs/dbraw/zinc/35/68/01/175356801.db2.gz SGBBTSRAPAUARX-MRXNPFEDSA-N 1 0 280.460 2.076 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](C)CCc1ccncc1 ZINC000045312677 175357414 /nfs/dbraw/zinc/35/74/14/175357414.db2.gz BGUHDYJIZCYSBL-MRXNPFEDSA-N 1 0 274.412 2.228 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](CC)C[C@@H]1CCCO1 ZINC000045315121 175358133 /nfs/dbraw/zinc/35/81/33/175358133.db2.gz RTZGCXPBRLFCMD-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316640 175358374 /nfs/dbraw/zinc/35/83/74/175358374.db2.gz RPJKCHWHENXHHM-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCCC[C@@](C)(C#N)NC ZINC000045318312 175359252 /nfs/dbraw/zinc/35/92/52/175359252.db2.gz HKCRVQICCNNDHY-ZNMIVQPWSA-N 1 0 267.417 2.158 10 30 CEEERO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(C#N)c1 ZINC000070578319 175993588 /nfs/dbraw/zinc/99/35/88/175993588.db2.gz JYEQLLUNEWVCPA-CHWSQXEVSA-N 1 0 257.337 2.039 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccsc1)N(CCC#N)CCOC ZINC000071221957 176087690 /nfs/dbraw/zinc/08/76/90/176087690.db2.gz MPPURMIMMYLCFB-ZIAGYGMSSA-N 1 0 281.425 2.389 10 30 CEEERO COCCN(CCC#N)[C@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000071221844 176087750 /nfs/dbraw/zinc/08/77/50/176087750.db2.gz HKXCHYKAQJXBCC-ZBFHGGJFSA-N 1 0 275.396 2.245 10 30 CEEERO CCN(c1nc2c(cc1C#N)CCCC2)[C@H]1CC[NH2+]C1 ZINC000071314183 176120389 /nfs/dbraw/zinc/12/03/89/176120389.db2.gz IXUVJXBIVKAGAF-AWEZNQCLSA-N 1 0 270.380 2.020 10 30 CEEERO Cc1ccc(C(=O)NCc2ccc(C#CC[NH3+])s2)c(C)n1 ZINC000071322973 176123373 /nfs/dbraw/zinc/12/33/73/176123373.db2.gz ZOBYBVUKLGRVMU-UHFFFAOYSA-N 1 0 299.399 2.000 10 30 CEEERO COCC[NH2+]Cc1cc(C)ccc1OCCCC#N ZINC000071407535 176156411 /nfs/dbraw/zinc/15/64/11/176156411.db2.gz DUPHEGRLCVUKRZ-UHFFFAOYSA-N 1 0 262.353 2.414 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662630519 415912348 /nfs/dbraw/zinc/91/23/48/415912348.db2.gz KWLWMTWUDPWQDM-UONOGXRCSA-N 1 0 250.386 2.333 10 30 CEEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccccc1Cl ZINC000076656940 177045924 /nfs/dbraw/zinc/04/59/24/177045924.db2.gz GQNKGRSWPHVYOC-NSHDSACASA-N 1 0 252.745 2.075 10 30 CEEERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(C)C[C@@H](C)C#N ZINC000079277063 177461050 /nfs/dbraw/zinc/46/10/50/177461050.db2.gz ZLNQOVDSVOFDPC-QWHCGFSZSA-N 1 0 253.390 2.006 10 30 CEEERO CC(C)[C@H](CC[NH3+])CCC(=O)N(C)[C@@H](C)CC#N ZINC000079278732 177462587 /nfs/dbraw/zinc/46/25/87/177462587.db2.gz RKMNSYKKVRNUIG-STQMWFEESA-N 1 0 253.390 2.148 10 30 CEEERO N#CCCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000079866508 177571996 /nfs/dbraw/zinc/57/19/96/177571996.db2.gz BZNQRFVJLVJIAN-UHFFFAOYSA-N 1 0 285.391 2.118 10 30 CEEERO CC(C)[C@H](CC[NH3+])CCC(=O)NCCCCC#N ZINC000079866463 177572189 /nfs/dbraw/zinc/57/21/89/177572189.db2.gz ZFIJYEOISOBONX-ZDUSSCGKSA-N 1 0 253.390 2.198 10 30 CEEERO C=C(Cl)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161422177 262315604 /nfs/dbraw/zinc/31/56/04/262315604.db2.gz PNNHCQLEKZLNJE-LLVKDONJSA-N 1 0 254.765 2.230 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCOC1)NCC1(C)CCCC1 ZINC000124641638 263907645 /nfs/dbraw/zinc/90/76/45/263907645.db2.gz MYCNONKXNAHRDI-ZDUSSCGKSA-N 1 0 267.417 2.158 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000261738405 274920796 /nfs/dbraw/zinc/92/07/96/274920796.db2.gz RXZPDEGQSLWFEJ-GLQYFDAESA-N 1 0 278.359 2.280 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C1)CCCC2 ZINC000262338272 274921605 /nfs/dbraw/zinc/92/16/05/274921605.db2.gz UAHOECFLJOJBDP-CWRNSKLLSA-N 1 0 296.418 2.396 10 30 CEEERO C[C@@H]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000235349100 277757738 /nfs/dbraw/zinc/75/77/38/277757738.db2.gz IVKOGRTUYMROPE-ZWNOBZJWSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000229255633 278314239 /nfs/dbraw/zinc/31/42/39/278314239.db2.gz HKDUQCGABYWWSU-NXEZZACHSA-N 1 0 294.196 2.494 10 30 CEEERO CC1(C)CN(c2c(F)cc(C#N)cc2F)CC[C@H]1[NH3+] ZINC000261578304 278341650 /nfs/dbraw/zinc/34/16/50/278341650.db2.gz DCFXDKDDWFXGAM-GFCCVEGCSA-N 1 0 265.307 2.400 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000229600478 279035835 /nfs/dbraw/zinc/03/58/35/279035835.db2.gz XAMWKEIHZLEHFT-GXSJLCMTSA-N 1 0 260.297 2.019 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000174854606 329163871 /nfs/dbraw/zinc/16/38/71/329163871.db2.gz YXRHODHGJXSPQY-CQSZACIVSA-N 1 0 275.400 2.320 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000185559443 329326655 /nfs/dbraw/zinc/32/66/55/329326655.db2.gz HVGGLIKRKLKRNS-MELADBBJSA-N 1 0 250.386 2.284 10 30 CEEERO Cc1cccnc1C(C)(C)CNC(=[NH2+])NCC1CCC1 ZINC000262351202 330007395 /nfs/dbraw/zinc/00/73/95/330007395.db2.gz FXJYYXPMXKJWIM-UHFFFAOYSA-N 1 0 274.412 2.372 10 30 CEEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@H]1CC1(C)C ZINC000262397858 330012737 /nfs/dbraw/zinc/01/27/37/330012737.db2.gz NFZNFESQIFRDOM-JTQLQIEISA-N 1 0 266.414 2.223 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2COc3ccc(F)cc32)C1 ZINC000262436559 330012870 /nfs/dbraw/zinc/01/28/70/330012870.db2.gz TYNMDQKIZJYIRO-MFKMUULPSA-N 1 0 277.343 2.306 10 30 CEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@@H]1C[C@@H]1C ZINC000262438718 330012905 /nfs/dbraw/zinc/01/29/05/330012905.db2.gz GZYJSCLTQPDREB-YIZRAAEISA-N 1 0 287.816 2.008 10 30 CEEERO [NH2+]=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)NC1CC1 ZINC000262455973 330014389 /nfs/dbraw/zinc/01/43/89/330014389.db2.gz RORVQTVYPPNBAY-WCBMZHEXSA-N 1 0 263.307 2.422 10 30 CEEERO [NH2+]=C(N[C@H]1C[C@H]1c1c(F)cccc1F)N1CCSCC1 ZINC000262509221 330018823 /nfs/dbraw/zinc/01/88/23/330018823.db2.gz COQZNRPCNSNDLA-SKDRFNHKSA-N 1 0 297.374 2.184 10 30 CEEERO CN(C)C(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262519201 330019209 /nfs/dbraw/zinc/01/92/09/330019209.db2.gz HSNBILLBORNWMF-OIBJUYFYSA-N 1 0 255.724 2.211 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@]1(C)c1ccccc1OC)N1CCCC1 ZINC000262642432 330024082 /nfs/dbraw/zinc/02/40/82/330024082.db2.gz HQFLNHHWNCXLKS-WBVHZDCISA-N 1 0 287.407 2.396 10 30 CEEERO CN1CC[NH+]=C1NCc1cc(Cl)sc1Cl ZINC000262675430 330026159 /nfs/dbraw/zinc/02/61/59/330026159.db2.gz TUMIEIZRXAJLSI-UHFFFAOYSA-N 1 0 264.181 2.446 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCc1cc(C)ccn1 ZINC000263168779 330046984 /nfs/dbraw/zinc/04/69/84/330046984.db2.gz RQMPRHJBGKSQRE-UHFFFAOYSA-N 1 0 284.363 2.463 10 30 CEEERO C[C@@H](C#N)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130987149 333892994 /nfs/dbraw/zinc/89/29/94/333892994.db2.gz YLNHEIGGISEFMH-STQMWFEESA-N 1 0 281.400 2.383 10 30 CEEERO CC(C)[C@@H](CN(C)C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000049198060 519793654 /nfs/dbraw/zinc/79/36/54/519793654.db2.gz CDLGSPCJXCYDGF-MRXNPFEDSA-N 1 0 275.396 2.265 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070145 520031752 /nfs/dbraw/zinc/03/17/52/520031752.db2.gz YRQNMVZQJXXIQV-IAGOWNOFSA-N 1 0 294.487 2.465 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)Cc2ccccc2)CC1 ZINC000062184287 518269598 /nfs/dbraw/zinc/26/95/98/518269598.db2.gz YFQGDAUITXQXTJ-OAHLLOKOSA-N 1 0 256.393 2.305 10 30 CEEERO C#CCOc1ccc(C[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000062730629 518325522 /nfs/dbraw/zinc/32/55/22/518325522.db2.gz QQKCRTSIQWNOGP-UHFFFAOYSA-N 1 0 262.309 2.495 10 30 CEEERO C=CCN(C(=O)c1cccn1C1CC[NH2+]CC1)C(C)C ZINC000054443411 518740520 /nfs/dbraw/zinc/74/05/20/518740520.db2.gz VZAAUWFTQOSTOP-UHFFFAOYSA-N 1 0 275.396 2.449 10 30 CEEERO CC(C)CN(CCC#N)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612191 519714847 /nfs/dbraw/zinc/71/48/47/519714847.db2.gz OTGLVAGGICLGEM-HNNXBMFYSA-N 1 0 273.380 2.127 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1nc2c(cc1C#N)CCC2 ZINC000156802371 519817742 /nfs/dbraw/zinc/81/77/42/519817742.db2.gz SPUKSMZOPSYFHJ-CQSZACIVSA-N 1 0 272.396 2.252 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)[NH+]1CCC(COC)CC1 ZINC000068616623 520101644 /nfs/dbraw/zinc/10/16/44/520101644.db2.gz JVWZDFSXZLXQGR-ZBFHGGJFSA-N 1 0 281.444 2.405 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611595 520103006 /nfs/dbraw/zinc/10/30/06/520103006.db2.gz SJCKKHHDGYCSKR-ZBFHGGJFSA-N 1 0 280.460 2.073 10 30 CEEERO CC1(C)CCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000063072283 520333699 /nfs/dbraw/zinc/33/36/99/520333699.db2.gz QQXQBMNUJXQJJA-UHFFFAOYSA-N 1 0 273.376 2.284 10 30 CEEERO CCCC[N@H+](CCO)Cc1ccc(C#CCCO)cc1F ZINC000049614006 520521680 /nfs/dbraw/zinc/52/16/80/520521680.db2.gz CGWISPWUWNRVPQ-UHFFFAOYSA-N 1 0 293.382 2.154 10 30 CEEERO CCCCNC(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049587419 520643186 /nfs/dbraw/zinc/64/31/86/520643186.db2.gz JNJFHHJGMSRGOZ-CYBMUJFWSA-N 1 0 273.380 2.157 10 30 CEEERO COCCSCc1ccc(F)c(C#CC[NH3+])c1 ZINC000049611514 521779103 /nfs/dbraw/zinc/77/91/03/521779103.db2.gz XDVFQWSIBAVGQR-UHFFFAOYSA-N 1 0 253.342 2.016 10 30 CEEERO C[NH+](C)C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000061644164 521870337 /nfs/dbraw/zinc/87/03/37/521870337.db2.gz JLNNBWNWRVWLJO-CQSZACIVSA-N 1 0 261.344 2.223 10 30 CEEERO CC[C@H](CC1CC1)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000070108747 522118740 /nfs/dbraw/zinc/11/87/40/522118740.db2.gz YBWYVUWNULRDEK-CQSZACIVSA-N 1 0 288.366 2.444 10 30 CEEERO CN[C@](C)(C#N)C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000068612094 522511671 /nfs/dbraw/zinc/51/16/71/522511671.db2.gz DSAANVCVKLKLCN-WBVHZDCISA-N 1 0 292.471 2.217 10 30 CEEERO CC[C@@H](NC(=O)c1ccc(C#CC[NH3+])cc1F)C(C)C ZINC000049148558 522780114 /nfs/dbraw/zinc/78/01/14/522780114.db2.gz VTNDHTHRJQNEPE-OAHLLOKOSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@@H](NC(=O)c1cncc(C#CC[NH3+])c1)c1cccs1 ZINC000049629698 522798548 /nfs/dbraw/zinc/79/85/48/522798548.db2.gz HNWCABQENBHVOS-CQSZACIVSA-N 1 0 299.399 2.334 10 30 CEEERO C[N@H+](Cc1ccc(C#CCO)cc1)Cc1cccnc1 ZINC000049613120 523207694 /nfs/dbraw/zinc/20/76/94/523207694.db2.gz LLHDNCHZZQIJMB-UHFFFAOYSA-N 1 0 266.344 2.057 10 30 CEEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)C(C)(C)C ZINC000049586821 523356523 /nfs/dbraw/zinc/35/65/23/523356523.db2.gz FQXXEQOQNPQSNU-UHFFFAOYSA-N 1 0 258.365 2.001 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCO)C[C@@H]1CCCCO1 ZINC000049613694 523360460 /nfs/dbraw/zinc/36/04/60/523360460.db2.gz CWSNZOOTFINRPB-KRWDZBQOSA-N 1 0 273.376 2.031 10 30 CEEERO CN(Cc1ccco1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609123 523436565 /nfs/dbraw/zinc/43/65/65/523436565.db2.gz FVPATUDVHHHDMR-UHFFFAOYSA-N 1 0 272.323 2.361 10 30 CEEERO CN(C(=O)CC[C@@H]1CCCC[NH2+]1)c1cccc(C#N)c1 ZINC000061980972 523807483 /nfs/dbraw/zinc/80/74/83/523807483.db2.gz BGEONRNEXLJHDE-AWEZNQCLSA-N 1 0 271.364 2.443 10 30 CEEERO COCC[NH2+]Cc1cc(Cl)c(O[C@H](C)C#N)c(OC)c1 ZINC000062727905 523948530 /nfs/dbraw/zinc/94/85/30/523948530.db2.gz DKMBJSIUHDMMBR-SNVBAGLBSA-N 1 0 298.770 2.375 10 30 CEEERO COCC[NH2+]Cc1cc(Cl)c(O[C@@H](C)C#N)c(OC)c1 ZINC000062727904 523948546 /nfs/dbraw/zinc/94/85/46/523948546.db2.gz DKMBJSIUHDMMBR-JTQLQIEISA-N 1 0 298.770 2.375 10 30 CEEERO CC[C@H](C)[NH+]1CCN(CCCC[C@](C)(C#N)NC)CC1 ZINC000055070191 523952224 /nfs/dbraw/zinc/95/22/24/523952224.db2.gz FVTOQDVNMXNQMQ-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO CCc1ccc(NC(=O)c2cncc(C#CC[NH3+])c2)cc1 ZINC000049629360 523991990 /nfs/dbraw/zinc/99/19/90/523991990.db2.gz VFSMETRRRSDSAH-UHFFFAOYSA-N 1 0 279.343 2.207 10 30 CEEERO C[NH+](C)CCCOc1cc(C#N)c2ccccc2n1 ZINC000068796677 524058090 /nfs/dbraw/zinc/05/80/90/524058090.db2.gz FGHZHLMSGUVCMZ-UHFFFAOYSA-N 1 0 255.321 2.437 10 30 CEEERO COc1ccc(Cn2ccnc2C(C)C)cc1C#CC[NH3+] ZINC000049610133 524261716 /nfs/dbraw/zinc/26/17/16/524261716.db2.gz AFWOCNALXVMPFU-UHFFFAOYSA-N 1 0 283.375 2.374 10 30 CEEERO C[C@H](C[C@@](C)(C#N)NC1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613164 524631935 /nfs/dbraw/zinc/63/19/35/524631935.db2.gz KTJFLADIONBBCX-PBHICJAKSA-N 1 0 292.471 2.215 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCCN1c1nc2c(cc1C#N)CCC2 ZINC000063196566 524857669 /nfs/dbraw/zinc/85/76/69/524857669.db2.gz FHRBMXKXIZYRMI-XHDPSFHLSA-N 1 0 270.380 2.148 10 30 CEEERO C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163721 525645705 /nfs/dbraw/zinc/64/57/05/525645705.db2.gz PWKTWGQDIYQLFN-CMPLNLGQSA-N 1 0 274.324 2.266 10 30 CEEERO CSC[C@H](C)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000069447947 525681659 /nfs/dbraw/zinc/68/16/59/525681659.db2.gz SRQHOSINSCTERR-RISCZKNCSA-N 1 0 264.394 2.180 10 30 CEEERO C[C@@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)CC[NH2+]C1 ZINC000062892311 525808995 /nfs/dbraw/zinc/80/89/95/525808995.db2.gz MGFNSCRJFDGSAM-CYBMUJFWSA-N 1 0 263.728 2.150 10 30 CEEERO C[C@H](c1ccc(C#CC[NH3+])cc1)N1CCCCC1=O ZINC000049587753 526040810 /nfs/dbraw/zinc/04/08/10/526040810.db2.gz OWPSNPJGUFEHRD-CYBMUJFWSA-N 1 0 256.349 2.070 10 30 CEEERO Cc1ccc(C(=O)NCc2ccccc2C#CC[NH3+])s1 ZINC000049586428 526186743 /nfs/dbraw/zinc/18/67/43/526186743.db2.gz OHLJFYFYIDEEQG-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO N#C[C@@H](N)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062369517 526495534 /nfs/dbraw/zinc/49/55/34/526495534.db2.gz SBDNYXLMVHCWMI-INIZCTEOSA-N 1 0 257.381 2.182 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826204 526500974 /nfs/dbraw/zinc/50/09/74/526500974.db2.gz ZPSFOIPCWSDBLZ-JSGCOSHPSA-N 1 0 259.309 2.419 10 30 CEEERO N#Cc1cccc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063189217 526697484 /nfs/dbraw/zinc/69/74/84/526697484.db2.gz NAEOZLKXOXURGI-JKSUJKDBSA-N 1 0 283.375 2.305 10 30 CEEERO [NH3+]CC#Cc1cc(CSc2ncccn2)ccc1F ZINC000049611453 527147557 /nfs/dbraw/zinc/14/75/57/527147557.db2.gz DKRTZWYYYATXCF-UHFFFAOYSA-N 1 0 273.336 2.218 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccc3c(c2)OCO3)cc1 ZINC000049610855 527150735 /nfs/dbraw/zinc/15/07/35/527150735.db2.gz XUQAQXLAPKJNMP-UHFFFAOYSA-N 1 0 281.311 2.305 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1C#N ZINC000175051012 529304892 /nfs/dbraw/zinc/30/48/92/529304892.db2.gz VNDZHJIDNOMZAQ-DLBZAZTESA-N 1 0 299.418 2.496 10 30 CEEERO C#CCOc1ccccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616161 628136835 /nfs/dbraw/zinc/13/68/35/628136835.db2.gz PRGOWENRSDJGGQ-QGZVFWFLSA-N 1 0 284.403 2.369 10 30 CEEERO C[C@@]1(C[NH3+])CCN(c2nc3ccccc3cc2C#N)C1 ZINC000312619412 628328650 /nfs/dbraw/zinc/32/86/50/628328650.db2.gz HNJXSNXDWWAWFL-INIZCTEOSA-N 1 0 266.348 2.282 10 30 CEEERO C[C@@H]1[C@@H]([NH3+])CCN1c1c(C#N)cnc2ccccc21 ZINC000261629207 628952582 /nfs/dbraw/zinc/95/25/82/628952582.db2.gz VPXBMLWNKVJUOB-MFKMUULPSA-N 1 0 252.321 2.032 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156365178 639346417 /nfs/dbraw/zinc/34/64/17/639346417.db2.gz LCBKYAGIIDAMDN-CABCVRRESA-N 1 0 278.359 2.437 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000229596916 639709284 /nfs/dbraw/zinc/70/92/84/639709284.db2.gz YIDDUWHARITOPE-JOYOIKCWSA-N 1 0 260.297 2.019 10 30 CEEERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000324250803 640377885 /nfs/dbraw/zinc/37/78/85/640377885.db2.gz DISILDHOXJYBTG-CQSZACIVSA-N 1 0 262.353 2.086 10 30 CEEERO Cc1cc(C)c(C#N)c(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000131020793 652367225 /nfs/dbraw/zinc/36/72/25/652367225.db2.gz FZHMTOUOTLBNES-CFVMTHIKSA-N 1 0 270.380 2.134 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000132445261 652521321 /nfs/dbraw/zinc/52/13/21/652521321.db2.gz NOBPYPVMCVYLAX-AAEUAGOBSA-N 1 0 266.348 2.280 10 30 CEEERO C=CCc1ccccc1OC[C@@H](O)C[N+](C)(C)CC=C ZINC000033882778 717122994 /nfs/dbraw/zinc/12/29/94/717122994.db2.gz FKWAXKZBUZPPES-INIZCTEOSA-N 1 0 276.400 2.417 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1ccc(C)o1)CC(C)C ZINC000036097550 361828084 /nfs/dbraw/zinc/82/80/84/361828084.db2.gz UJQGESKFMXESLR-OAHLLOKOSA-N 1 0 279.380 2.057 10 30 CEEERO N#CC1(c2ccccc2F)CCN(CCC[NH3+])CC1 ZINC000039152995 343435467 /nfs/dbraw/zinc/43/54/67/343435467.db2.gz SFJVCMAEHRGKLE-UHFFFAOYSA-N 1 0 261.344 2.032 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000044493124 343472865 /nfs/dbraw/zinc/47/28/65/343472865.db2.gz MGMVHUBNNPXGBO-NSHDSACASA-N 1 0 260.297 2.020 10 30 CEEERO CNC(=[NH2+])Nc1ccc(Br)cc1Cl ZINC000052069899 343554832 /nfs/dbraw/zinc/55/48/32/343554832.db2.gz QFLSUDPKWFOYIZ-UHFFFAOYSA-N 1 0 262.538 2.268 10 30 CEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000128046502 187348294 /nfs/dbraw/zinc/34/82/94/187348294.db2.gz WHMJTNIACLEYLW-LSDHHAIUSA-N 1 0 277.412 2.410 10 30 CEEERO CC[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000123029121 344308759 /nfs/dbraw/zinc/30/87/59/344308759.db2.gz UHBDKPLJYPULCE-NEPJUHHUSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@]1(/[N+](O)=C/c2cccc([N+](=O)[O-])c2)CCCCC1=O ZINC000225397382 344545170 /nfs/dbraw/zinc/54/51/70/344545170.db2.gz JBGQBMLXIBXFDR-QTNMRXCUSA-N 1 0 277.300 2.317 10 30 CEEERO C#CC[C@H](N)C(=O)c1cscc1Br ZINC000226829487 344551612 /nfs/dbraw/zinc/55/16/12/344551612.db2.gz DYUCGLLHQQPKNY-QMMMGPOBSA-N 1 0 258.140 2.044 10 30 CEEERO CC[C@@H]1CN(c2nc(C)cc(C)c2C#N)CC[C@H]1[NH3+] ZINC000251589827 344637083 /nfs/dbraw/zinc/63/70/83/344637083.db2.gz CPWMKHOLDRSDKH-TZMCWYRMSA-N 1 0 258.369 2.134 10 30 CEEERO N#Cc1cnc2ccccc2c1NCCC1(C[NH3+])CC1 ZINC000404846282 344882789 /nfs/dbraw/zinc/88/27/89/344882789.db2.gz OQBPUEJLZBXGOB-UHFFFAOYSA-N 1 0 266.348 2.069 10 30 CEEERO CC(C)N(CCC#N)C(=O)CC1([NH3+])CCCCC1 ZINC000084164559 178811525 /nfs/dbraw/zinc/81/15/25/178811525.db2.gz CVFQTZVDSITMRG-UHFFFAOYSA-N 1 0 251.374 2.189 10 30 CEEERO Cc1cc(C)c(C#N)c(NCCC2CC[NH2+]CC2)n1 ZINC000593233880 345456732 /nfs/dbraw/zinc/45/67/32/345456732.db2.gz ZKBUDUDPBVTTCF-UHFFFAOYSA-N 1 0 258.369 2.372 10 30 CEEERO N#Cc1cc2c(nc1NCCC1CC[NH2+]CC1)CCC2 ZINC000593233440 345456885 /nfs/dbraw/zinc/45/68/85/345456885.db2.gz PJKGZRQPKZKKJX-UHFFFAOYSA-N 1 0 270.380 2.244 10 30 CEEERO N#Cc1cc2c(nc1NCC1([NH3+])CCCC1)CCC2 ZINC000594694397 345673565 /nfs/dbraw/zinc/67/35/65/345673565.db2.gz NEUQIFJPHJTHNK-UHFFFAOYSA-N 1 0 256.353 2.125 10 30 CEEERO N#CCCN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccccc1 ZINC000085357533 179030766 /nfs/dbraw/zinc/03/07/66/179030766.db2.gz USUGNKSMJCNHPO-CABCVRRESA-N 1 0 271.364 2.451 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368121 179038276 /nfs/dbraw/zinc/03/82/76/179038276.db2.gz JQDIHGHMQWQAFH-LSDHHAIUSA-N 1 0 271.364 2.034 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000600950622 346714955 /nfs/dbraw/zinc/71/49/55/346714955.db2.gz APRLVDDIXQMJLE-WCQYABFASA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CC[C@@H](Nc2cc(C#N)c3ccccc3n2)C[NH2+]1 ZINC000600956064 346717205 /nfs/dbraw/zinc/71/72/05/346717205.db2.gz VOGYBIOQUNYDQJ-WCQYABFASA-N 1 0 266.348 2.081 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000085965492 179205474 /nfs/dbraw/zinc/20/54/74/179205474.db2.gz YQLYAKYMGGWHMI-ZBFHGGJFSA-N 1 0 274.364 2.230 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000133682512 136714199 /nfs/dbraw/zinc/71/41/99/136714199.db2.gz JAEWNBZZXWUEAB-VIFPVBQESA-N 1 0 265.307 2.400 10 30 CEEERO N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000085984781 179211261 /nfs/dbraw/zinc/21/12/61/179211261.db2.gz NAKLPZZGEVMZCQ-IUODEOHRSA-N 1 0 262.328 2.338 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CC2)C1=O ZINC000086115351 179234407 /nfs/dbraw/zinc/23/44/07/179234407.db2.gz XEGDFGYPEYOLAL-GFCCVEGCSA-N 1 0 275.739 2.069 10 30 CEEERO C#CC[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000086498487 179303060 /nfs/dbraw/zinc/30/30/60/179303060.db2.gz QNHLZVWBMHPNMV-UHFFFAOYSA-N 1 0 251.351 2.149 10 30 CEEERO COc1ccc(C[NH2+]C[C@H](C(C)C)N(C)C)cc1C#N ZINC000087822610 179494574 /nfs/dbraw/zinc/49/45/74/179494574.db2.gz CMLRBZPFZLEIOZ-OAHLLOKOSA-N 1 0 275.396 2.243 10 30 CEEERO C=CCN(CC=C)S(=O)(=O)c1ccc(C[NH2+]C(C)C)o1 ZINC000088543401 179620655 /nfs/dbraw/zinc/62/06/55/179620655.db2.gz PBFQOJOXSLYXPH-UHFFFAOYSA-N 1 0 298.408 2.140 10 30 CEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000104220621 185934545 /nfs/dbraw/zinc/93/45/45/185934545.db2.gz JPOWHRLMCSNRAK-KWQFWETISA-N 1 0 263.728 2.006 10 30 CEEERO C[C@H]([NH3+])CSCCC(=O)Nc1sccc1C#N ZINC000090343572 179969602 /nfs/dbraw/zinc/96/96/02/179969602.db2.gz TTXQRJVBTLSXDI-QMMMGPOBSA-N 1 0 269.395 2.029 10 30 CEEERO CC[C@@H]([NH3+])CSCC(=O)Nc1sccc1C#N ZINC000090356831 179975663 /nfs/dbraw/zinc/97/56/63/179975663.db2.gz GQJVLPMDYUFCRN-SECBINFHSA-N 1 0 269.395 2.029 10 30 CEEERO COc1ccc(CO[C@@H](C)C(F)(F)F)cc1C#CC[NH3+] ZINC000090673650 180021558 /nfs/dbraw/zinc/02/15/58/180021558.db2.gz HEPOQKMTCAILAH-JTQLQIEISA-N 1 0 287.281 2.473 10 30 CEEERO [NH3+]CC#Cc1ccc(OC[C@@H]2Cc3ccccc3O2)cc1 ZINC000090876383 180052160 /nfs/dbraw/zinc/05/21/60/180052160.db2.gz LOGVZFZFYLVHDT-KRWDZBQOSA-N 1 0 279.339 2.379 10 30 CEEERO [NH3+]CC#Cc1ccccc1NC(=O)[C@@H]1Cc2ccccc21 ZINC000090985717 180080589 /nfs/dbraw/zinc/08/05/89/180080589.db2.gz YNUVLQGTICOBCF-MRXNPFEDSA-N 1 0 276.339 2.275 10 30 CEEERO N#Cc1ncccc1Cn1ccc(C[NH2+]C2CC2)c1 ZINC000091004047 180084043 /nfs/dbraw/zinc/08/40/43/180084043.db2.gz RNFSJHGPGDEYQM-UHFFFAOYSA-N 1 0 252.321 2.055 10 30 CEEERO C[NH2+]Cc1cn(Cc2ccnc(C#N)c2)c2ncccc12 ZINC000091019355 180087984 /nfs/dbraw/zinc/08/79/84/180087984.db2.gz WOIMLRIVLXHOSC-UHFFFAOYSA-N 1 0 277.331 2.071 10 30 CEEERO N#Cc1cccc(Cn2cc(CC[NH3+])c3cccnc32)c1 ZINC000091021382 180088801 /nfs/dbraw/zinc/08/88/01/180088801.db2.gz SQMGGZWRGJJNKH-UHFFFAOYSA-N 1 0 276.343 2.457 10 30 CEEERO C[C@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1C#CC[NH3+] ZINC000091462534 180162648 /nfs/dbraw/zinc/16/26/48/180162648.db2.gz ISVLTRJOMFUMSP-BBRMVZONSA-N 1 0 285.391 2.043 10 30 CEEERO Cc1cc([C@H](C#N)N2CC[NH2+]CC2)ccc1Br ZINC000091471387 180165380 /nfs/dbraw/zinc/16/53/80/180165380.db2.gz NFGJQIDGKOULKA-ZDUSSCGKSA-N 1 0 294.196 2.227 10 30 CEEERO CSC1(C#N)CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000091477388 180166288 /nfs/dbraw/zinc/16/62/88/180166288.db2.gz YVLSVDCQWHCIJL-GFCCVEGCSA-N 1 0 254.399 2.277 10 30 CEEERO N#Cc1c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)sc2c1CCC2 ZINC000091546440 180187089 /nfs/dbraw/zinc/18/70/89/180187089.db2.gz QZDUOWVJWAUAOA-BDAKNGLRSA-N 1 0 275.377 2.174 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)N1CCCCC1 ZINC000091969689 180294978 /nfs/dbraw/zinc/29/49/78/180294978.db2.gz XRVXOUFQOMHHKL-UHFFFAOYSA-N 1 0 287.363 2.023 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1sc(C)c(C)c1C#N ZINC000092136281 180333318 /nfs/dbraw/zinc/33/33/18/180333318.db2.gz CTTAXXXXMUYKGN-SSDOTTSWSA-N 1 0 251.355 2.031 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@@H](C)c1cc(F)ccc1F ZINC000092474678 180393625 /nfs/dbraw/zinc/39/36/25/180393625.db2.gz NTQOQKKVZVSUAG-JTQLQIEISA-N 1 0 268.307 2.260 10 30 CEEERO Cc1cccc(COc2ccccc2C#CC[NH3+])n1 ZINC000092431816 180384512 /nfs/dbraw/zinc/38/45/12/180384512.db2.gz JISPYYMHJWYRPQ-UHFFFAOYSA-N 1 0 252.317 2.279 10 30 CEEERO CN(CC1CCCC1)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000110847558 186329105 /nfs/dbraw/zinc/32/91/05/186329105.db2.gz IKGWYVVMSUCBED-UHFFFAOYSA-N 1 0 288.366 2.398 10 30 CEEERO CCCN(C(=O)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000110941066 186335117 /nfs/dbraw/zinc/33/51/17/186335117.db2.gz IQRUMDPQUWGVPZ-HNNXBMFYSA-N 1 0 271.364 2.162 10 30 CEEERO CCN(c1nc2c(cc1C#N)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000110946837 186335858 /nfs/dbraw/zinc/33/58/58/186335858.db2.gz GWEFTKNXQKAJGG-HNNXBMFYSA-N 1 0 284.407 2.410 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737515 186319327 /nfs/dbraw/zinc/31/93/27/186319327.db2.gz WDSOPWZJMGJOTO-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCOCC[N@H+](CC)CC[C@@](C)(C#N)NC(C)C ZINC000111121576 186355625 /nfs/dbraw/zinc/35/56/25/186355625.db2.gz LMAFGRKQNGRROC-AWEZNQCLSA-N 1 0 255.406 2.015 10 30 CEEERO CC#CCOc1ccc(C[NH3+])cc1Br ZINC000070503576 363092176 /nfs/dbraw/zinc/09/21/76/363092176.db2.gz PNUYTXXOMJFTIP-UHFFFAOYSA-N 1 0 254.127 2.310 10 30 CEEERO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000123242753 187079576 /nfs/dbraw/zinc/07/95/76/187079576.db2.gz YPBWBYYRXLKGDF-OAHLLOKOSA-N 1 0 287.359 2.084 10 30 CEEERO N#Cc1cc(NC[C@@H]2CC[NH2+]C2)nc2ccccc12 ZINC000133811060 187707970 /nfs/dbraw/zinc/70/79/70/187707970.db2.gz BQROYNKFONUFFB-LLVKDONJSA-N 1 0 252.321 2.128 10 30 CEEERO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000135112456 366396759 /nfs/dbraw/zinc/39/67/59/366396759.db2.gz HIVXONJWMPSKFY-GZBFAFLISA-N 1 0 252.402 2.434 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000150858002 366602037 /nfs/dbraw/zinc/60/20/37/366602037.db2.gz DKLQGGKZBCMWLH-WFASDCNBSA-N 1 0 286.379 2.408 10 30 CEEERO C#CCOc1ccccc1CNCC[NH+](CC)CC ZINC000020089714 361579089 /nfs/dbraw/zinc/57/90/89/361579089.db2.gz JKEOPUSXYUCVDZ-UHFFFAOYSA-N 1 0 260.381 2.130 10 30 CEEERO COc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1C#N ZINC000087824492 363870214 /nfs/dbraw/zinc/87/02/14/363870214.db2.gz FJNBZQHOUIMUMX-ZFWWWQNUSA-N 1 0 274.364 2.208 10 30 CEEERO COc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1C#N ZINC000087824496 363870319 /nfs/dbraw/zinc/87/03/19/363870319.db2.gz FJNBZQHOUIMUMX-UKRRQHHQSA-N 1 0 274.364 2.208 10 30 CEEERO N#Cc1ccccc1C[C@@H]1COCC[C@@H]1[NH2+]C1CC1 ZINC000095077181 364333700 /nfs/dbraw/zinc/33/37/00/364333700.db2.gz DXFGLRCTCIPLET-ZBFHGGJFSA-N 1 0 256.349 2.258 10 30 CEEERO COc1cccc(OCC[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000342794530 367539402 /nfs/dbraw/zinc/53/94/02/367539402.db2.gz LMUYOODOQZFVTH-DOMZBBRYSA-N 1 0 260.337 2.356 10 30 CEEERO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000248629947 371226047 /nfs/dbraw/zinc/22/60/47/371226047.db2.gz QJAZGQCMHAPMPY-HUUCEWRRSA-N 1 0 282.428 2.158 10 30 CEEERO Cc1nc(N2CC[C@](C)(C[NH3+])C2)c(Cl)cc1C#N ZINC000261586796 371665023 /nfs/dbraw/zinc/66/50/23/371665023.db2.gz UPBWCAFZHAIOBE-CYBMUJFWSA-N 1 0 264.760 2.090 10 30 CEEERO N#Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)ccn1 ZINC000261648347 371691841 /nfs/dbraw/zinc/69/18/41/371691841.db2.gz DCGOULSAKSUTRZ-MRXNPFEDSA-N 1 0 264.332 2.252 10 30 CEEERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000269453460 372454975 /nfs/dbraw/zinc/45/49/75/372454975.db2.gz WJIAAELQQWZHCB-ZDUSSCGKSA-N 1 0 250.317 2.194 10 30 CEEERO C[N@H+](CCO)C1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000272287309 373410474 /nfs/dbraw/zinc/41/04/74/373410474.db2.gz ZGCXKAJPBUWPDI-UHFFFAOYSA-N 1 0 293.798 2.105 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000312119132 376702368 /nfs/dbraw/zinc/70/23/68/376702368.db2.gz TUFKVAKAXPUDHW-JTQLQIEISA-N 1 0 262.313 2.396 10 30 CEEERO N#Cc1ccccc1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094749216 184852337 /nfs/dbraw/zinc/85/23/37/184852337.db2.gz AFPXJRHUCFRPQR-OLZOCXBDSA-N 1 0 257.337 2.404 10 30 CEEERO CCC[NH+]1CCC(Nc2ccc(C#N)c(N)c2)CC1 ZINC000094590575 184822117 /nfs/dbraw/zinc/82/21/17/184822117.db2.gz DJLJGXBKFOOFGP-UHFFFAOYSA-N 1 0 258.369 2.427 10 30 CEEERO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H]1[NH+](C)C ZINC000251855516 131131366 /nfs/dbraw/zinc/13/13/66/131131366.db2.gz RXRSPEAMBDBRGV-BLLLJJGKSA-N 1 0 284.407 2.218 10 30 CEEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1[NH3+] ZINC000261568306 394602659 /nfs/dbraw/zinc/60/26/59/394602659.db2.gz JVMDTFZGWBMRPT-GZMMTYOYSA-N 1 0 269.270 2.360 10 30 CEEERO Cc1nc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c(Cl)cc1C#N ZINC000261566560 394602906 /nfs/dbraw/zinc/60/29/06/394602906.db2.gz IHQJBVTVJSLTOG-BDAKNGLRSA-N 1 0 264.760 2.102 10 30 CEEERO Cc1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)cc1C#N ZINC000261752263 394607383 /nfs/dbraw/zinc/60/73/83/394607383.db2.gz NALJSJCLILSPHC-SUHUHFCYSA-N 1 0 290.798 2.479 10 30 CEEERO Cc1nc(NC[C@@H]([NH3+])C2CC2)c(Cl)cc1C#N ZINC000261552984 153757551 /nfs/dbraw/zinc/75/75/51/153757551.db2.gz NOBAGJCIFBXEJJ-LLVKDONJSA-N 1 0 250.733 2.064 10 30 CEEERO N#Cc1c(Br)cccc1NC[C@H]1CC[NH2+]C1 ZINC000165084291 162341027 /nfs/dbraw/zinc/34/10/27/162341027.db2.gz XGKBUXZLOBXBLC-VIFPVBQESA-N 1 0 280.169 2.342 10 30 CEEERO CC[C@H]([NH3+])CNc1ccc(C#N)cc1Br ZINC000169225825 165035273 /nfs/dbraw/zinc/03/52/73/165035273.db2.gz FHTKRLQZXVLNTM-VIFPVBQESA-N 1 0 268.158 2.470 10 30 CEEERO CC[C@@H]([NH3+])CNc1ccc(C#N)cc1Br ZINC000169225905 165038533 /nfs/dbraw/zinc/03/85/33/165038533.db2.gz FHTKRLQZXVLNTM-SECBINFHSA-N 1 0 268.158 2.470 10 30 CEEERO C[NH+](C)CCCN[C@H](C#N)c1cccc(Cl)c1 ZINC000020173940 171041573 /nfs/dbraw/zinc/04/15/73/171041573.db2.gz PQFFWYFYIINCHN-CYBMUJFWSA-N 1 0 251.761 2.446 10 30 CEEERO CCCOc1ccc([C@H](C#N)NCC[NH+](C)C)cc1 ZINC000020176425 171042246 /nfs/dbraw/zinc/04/22/46/171042246.db2.gz JCOIAFLAULFQJX-HNNXBMFYSA-N 1 0 261.369 2.191 10 30 CEEERO C#CCNC(=O)[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020364451 171162980 /nfs/dbraw/zinc/16/29/80/171162980.db2.gz MKYNVTFLCLSCGH-JTQLQIEISA-N 1 0 299.201 2.263 10 30 CEEERO CC(C)[C@@H]([NH2+]CC(=O)NCCC#N)c1cccs1 ZINC000027368526 171515488 /nfs/dbraw/zinc/51/54/88/171515488.db2.gz FDNCYUQRVUJUDW-CYBMUJFWSA-N 1 0 265.382 2.065 10 30 CEEERO CC[C@H](C)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000037386988 173170813 /nfs/dbraw/zinc/17/08/13/173170813.db2.gz MGGJQVRFGSVZIR-ZDUSSCGKSA-N 1 0 259.353 2.321 10 30 CEEERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)N(CC#N)CC#N ZINC000043051111 174959192 /nfs/dbraw/zinc/95/91/92/174959192.db2.gz VTMCVMLLHHYYES-GWCFXTLKSA-N 1 0 262.744 2.077 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000657942988 415136997 /nfs/dbraw/zinc/13/69/97/415136997.db2.gz HWAQPFDINJUDIF-OAGGEKHMSA-N 1 0 266.429 2.432 10 30 CEEERO CC[NH+]1CCC(N(C)C(=O)C2(C#N)CCCC2)CC1 ZINC000044767154 175249675 /nfs/dbraw/zinc/24/96/75/175249675.db2.gz HZWQJBCKXNUJBL-UHFFFAOYSA-N 1 0 263.385 2.013 10 30 CEEERO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044825398 175259297 /nfs/dbraw/zinc/25/92/97/175259297.db2.gz KHOFDEDDUSOLFA-CVEARBPZSA-N 1 0 287.407 2.071 10 30 CEEERO COCC[N@H+](CC[C@@](C)(C#N)NC(C)C)CC(C)C ZINC000045182037 175325589 /nfs/dbraw/zinc/32/55/89/175325589.db2.gz WKUVXRVZEAKFHH-HNNXBMFYSA-N 1 0 269.433 2.261 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](C)CCc1ccccn1 ZINC000045305995 175355905 /nfs/dbraw/zinc/35/59/05/175355905.db2.gz PHLZSZQFNIIBGT-INIZCTEOSA-N 1 0 274.412 2.228 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@@H+]1CCOCC1(C)C ZINC000045317567 175358340 /nfs/dbraw/zinc/35/83/40/175358340.db2.gz MMHXBFWURCHHOL-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCC[NH2+][C@H](C)c1ccc(-n2cnc(C#N)n2)cc1 ZINC000061842277 175656097 /nfs/dbraw/zinc/65/60/97/175656097.db2.gz AMJHWHFVSOCKOX-LLVKDONJSA-N 1 0 255.325 2.200 10 30 CEEERO CC(C)[C@H]([NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC000070463600 175944079 /nfs/dbraw/zinc/94/40/79/175944079.db2.gz BYOCNIFMPMRJKZ-CYBMUJFWSA-N 1 0 258.369 2.227 10 30 CEEERO C[C@H](C[NH2+]C1CC1)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000070512119 175961115 /nfs/dbraw/zinc/96/11/15/175961115.db2.gz BYVUZLCEONFXTN-SNVBAGLBSA-N 1 0 275.308 2.233 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070576212 175991621 /nfs/dbraw/zinc/99/16/21/175991621.db2.gz XVHLZQMWLDBAMG-LSDHHAIUSA-N 1 0 271.364 2.034 10 30 CEEERO C=C(Br)CNCC[N@@H+](C)C1CCCC1 ZINC000070945517 176016483 /nfs/dbraw/zinc/01/64/83/176016483.db2.gz LFUWUMSQDIVANP-UHFFFAOYSA-N 1 0 261.207 2.359 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000071264399 176097990 /nfs/dbraw/zinc/09/79/90/176097990.db2.gz VSRXMQVFXFXVOE-XHDPSFHLSA-N 1 0 261.344 2.399 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)c2cccc(F)c2)c1 ZINC000071322560 176122865 /nfs/dbraw/zinc/12/28/65/176122865.db2.gz GNXOAOQNCGFPSR-UHFFFAOYSA-N 1 0 288.347 2.127 10 30 CEEERO CC(C)(C)SCC(=O)NCc1ccc(C#CC[NH3+])s1 ZINC000071322926 176123362 /nfs/dbraw/zinc/12/33/62/176123362.db2.gz USKXCQOVUPBENS-UHFFFAOYSA-N 1 0 296.461 2.206 10 30 CEEERO Cc1ccsc1C(=O)NCc1ccc(C#CC[NH3+])s1 ZINC000071322968 176123630 /nfs/dbraw/zinc/12/36/30/176123630.db2.gz NORZCSBTTAYEFT-UHFFFAOYSA-N 1 0 290.413 2.358 10 30 CEEERO CCCN(CCOc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071331414 176124705 /nfs/dbraw/zinc/12/47/05/176124705.db2.gz WEQMHVQCWRRDFB-OAHLLOKOSA-N 1 0 273.380 2.011 10 30 CEEERO CC(C)n1c(C[NH3+])nnc1SCc1cccc(C#N)c1 ZINC000071374210 176139452 /nfs/dbraw/zinc/13/94/52/176139452.db2.gz RYMHANILJARWFQ-UHFFFAOYSA-N 1 0 287.392 2.482 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2OC)C1C#N ZINC000071678687 176243547 /nfs/dbraw/zinc/24/35/47/176243547.db2.gz NGKZSCJLPAETAU-ZDUSSCGKSA-N 1 0 287.363 2.057 10 30 CEEERO CCC[C@@H](CC[NH3+])CCC(=O)N(CCC#N)C1CC1 ZINC000079239110 177453697 /nfs/dbraw/zinc/45/36/97/177453697.db2.gz VBBWLSPVONZMNX-CYBMUJFWSA-N 1 0 265.401 2.436 10 30 CEEERO CC[C@@H](CC#N)NC(=O)CC[C@@H](CC[NH3+])C(C)C ZINC000079278478 177461797 /nfs/dbraw/zinc/46/17/97/177461797.db2.gz PUVZRANERIOQGT-STQMWFEESA-N 1 0 253.390 2.196 10 30 CEEERO C[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000129115861 273974947 /nfs/dbraw/zinc/97/49/47/273974947.db2.gz WLMIMYXMEBVDCG-NSHDSACASA-N 1 0 269.270 2.375 10 30 CEEERO C[C@@H]1C[NH2+][C@@H](C)CN1c1cc(C#N)c2ccccc2n1 ZINC000086471054 274378230 /nfs/dbraw/zinc/37/82/30/274378230.db2.gz MYVUAOFYEAIUDG-NWDGAFQWSA-N 1 0 266.348 2.293 10 30 CEEERO C[C@H]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235631456 274558599 /nfs/dbraw/zinc/55/85/99/274558599.db2.gz CMBVPDOCDKWYNU-SMDDNHRTSA-N 1 0 272.352 2.149 10 30 CEEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261578783 274923354 /nfs/dbraw/zinc/92/33/54/274923354.db2.gz PBHNPRUUAJHMJX-WCFLWFBJSA-N 1 0 261.756 2.385 10 30 CEEERO C[NH2+]C[C@@H]1CCCN1c1nc(C)c(C#N)cc1Cl ZINC000261569251 277279178 /nfs/dbraw/zinc/27/91/78/277279178.db2.gz JSTGHSJLNPCDOD-NSHDSACASA-N 1 0 264.760 2.103 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000127327230 278314256 /nfs/dbraw/zinc/31/42/56/278314256.db2.gz CACPKASAESFFSO-MWLCHTKSSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261648748 278557661 /nfs/dbraw/zinc/55/76/61/278557661.db2.gz QQNNWNWMCZMPGE-PWSUYJOCSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000127327010 279408972 /nfs/dbraw/zinc/40/89/72/279408972.db2.gz CACPKASAESFFSO-GXSJLCMTSA-N 1 0 294.196 2.494 10 30 CEEERO Cc1nc(N2CC[C@H]([C@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261563978 281938772 /nfs/dbraw/zinc/93/87/72/281938772.db2.gz HDSKQSSWHOMZGZ-WPRPVWTQSA-N 1 0 264.760 2.089 10 30 CEEERO N#Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382472873 321840359 /nfs/dbraw/zinc/84/03/59/321840359.db2.gz QYXJHJSIKLHUIU-MWLCHTKSSA-N 1 0 260.297 2.006 10 30 CEEERO CCc1nnc(N[C@H]2CC[C@H](C[NH3+])C2)c(C#N)c1CC ZINC000382475871 321840547 /nfs/dbraw/zinc/84/05/47/321840547.db2.gz SUKONYGIUHYINE-QWRGUYRKSA-N 1 0 273.384 2.012 10 30 CEEERO N#Cc1cc(F)c(N[C@@H](CC[NH3+])C(F)F)c(F)c1 ZINC000383392996 321847883 /nfs/dbraw/zinc/84/78/83/321847883.db2.gz PHLQUHHRZXGUEX-VIFPVBQESA-N 1 0 261.222 2.231 10 30 CEEERO C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000237937702 327356252 /nfs/dbraw/zinc/35/62/52/327356252.db2.gz ADSLMRZYASZQBZ-RYUDHWBXSA-N 1 0 264.394 2.390 10 30 CEEERO [NH2+]=C(NCc1nccc2ccccc21)N1CCSCC1 ZINC000170909642 329072159 /nfs/dbraw/zinc/07/21/59/329072159.db2.gz HQKGVSVSTNDMNJ-UHFFFAOYSA-N 1 0 286.404 2.098 10 30 CEEERO C[NH+]=C(NCCC1CC1)N(C)Cc1csc(C)n1 ZINC000261836495 329986073 /nfs/dbraw/zinc/98/60/73/329986073.db2.gz VWKIEDZYXNUBFJ-UHFFFAOYSA-N 1 0 266.414 2.259 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCCS1)N[C@H]1CC1(C)C ZINC000262019093 329998050 /nfs/dbraw/zinc/99/80/50/329998050.db2.gz YKKOCIXSUYHXDV-QWRGUYRKSA-N 1 0 255.431 2.236 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N[C@@H]1CCC[C@@H]1C#N ZINC000262363119 330010802 /nfs/dbraw/zinc/01/08/02/330010802.db2.gz HDJNAMFYXMYAEU-QBPKDAKJSA-N 1 0 296.418 2.475 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@H]1NC(=[NH2+])NC(C)(C)C ZINC000262507278 330018656 /nfs/dbraw/zinc/01/86/56/330018656.db2.gz BSLJGMZCJJIHAF-CJNGLKHVSA-N 1 0 275.396 2.428 10 30 CEEERO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@]1(C)c1ccccc1OC ZINC000262656215 330024719 /nfs/dbraw/zinc/02/47/19/330024719.db2.gz KNKQVVJVBGRGOU-PJODQICGSA-N 1 0 275.396 2.428 10 30 CEEERO Cc1ccc(CNC2=[NH+]C[C@H](C)N2)c(OC(C)C)c1 ZINC000262688514 330027302 /nfs/dbraw/zinc/02/73/02/330027302.db2.gz ZJVBWNHZIMGSKF-LBPRGKRZSA-N 1 0 261.369 2.220 10 30 CEEERO [NH2+]=C(N[C@@H]1COc2ccccc21)N1CCCCCC1 ZINC000262691311 330027697 /nfs/dbraw/zinc/02/76/97/330027697.db2.gz WFURXCGTSJIGHA-CYBMUJFWSA-N 1 0 259.353 2.311 10 30 CEEERO [NH2+]=C(NCc1cnc(C2CC2)o1)NC1CCCCC1 ZINC000263204934 330049000 /nfs/dbraw/zinc/04/90/00/330049000.db2.gz XZLXQBQUJBFURR-UHFFFAOYSA-N 1 0 262.357 2.289 10 30 CEEERO C=CCCCCC[N@H+]1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000193336114 333248252 /nfs/dbraw/zinc/24/82/52/333248252.db2.gz YTLOMTLZOSAOMW-LSDHHAIUSA-N 1 0 254.418 2.120 10 30 CEEERO CC(C)C[NH+]1CCN([C@@H](C)C[C@](C)(C#N)NC(C)C)CC1 ZINC000068615142 519727291 /nfs/dbraw/zinc/72/72/91/519727291.db2.gz ATQFAWFTAOSBEJ-DLBZAZTESA-N 1 0 294.487 2.319 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616182 520032793 /nfs/dbraw/zinc/03/27/93/520032793.db2.gz MVWYKQZHHZGXIM-HZPDHXFCSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616429 520102690 /nfs/dbraw/zinc/10/26/90/520102690.db2.gz RKHMRZXMFOYYAC-HOCLYGCPSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000068611936 520225643 /nfs/dbraw/zinc/22/56/43/520225643.db2.gz BFIOWRIEMPWZNG-ZBFHGGJFSA-N 1 0 274.412 2.226 10 30 CEEERO CCC[C@@]1(C(=O)N(CC)C[C@@H](C)C#N)CCC[NH2+]C1 ZINC000062857531 520940522 /nfs/dbraw/zinc/94/05/22/520940522.db2.gz GDIBWYMDHJVTES-DZGCQCFKSA-N 1 0 265.401 2.164 10 30 CEEERO C=CCN(C(=O)[C@@]1(C)CCC[NH2+]C1)C1CCCC1 ZINC000062857368 518735803 /nfs/dbraw/zinc/73/58/03/518735803.db2.gz JSPOGRSZCXMDOW-HNNXBMFYSA-N 1 0 250.386 2.333 10 30 CEEERO C=CC[NH2+]C[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000053488181 518950640 /nfs/dbraw/zinc/95/06/40/518950640.db2.gz URCJRSHHFOSQRV-CQSZACIVSA-N 1 0 277.387 2.112 10 30 CEEERO CC(C)N(CCC#N)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881689 519641565 /nfs/dbraw/zinc/64/15/65/519641565.db2.gz HIACKXHFNLPGJV-OAHLLOKOSA-N 1 0 259.353 2.011 10 30 CEEERO CC(C)[NH+](CCNCc1ccnc(C#N)c1)C(C)C ZINC000068751166 519647808 /nfs/dbraw/zinc/64/78/08/519647808.db2.gz JVYIQQWRGKJVBJ-UHFFFAOYSA-N 1 0 260.385 2.162 10 30 CEEERO CCCCCC(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586380 519933581 /nfs/dbraw/zinc/93/35/81/519933581.db2.gz PLMIBPXSWXFKNB-UHFFFAOYSA-N 1 0 258.365 2.193 10 30 CEEERO CCCN[C@](C#N)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069083301 520099919 /nfs/dbraw/zinc/09/99/19/520099919.db2.gz QJAGHUIRBXYWOJ-DLBZAZTESA-N 1 0 292.471 2.074 10 30 CEEERO CCN(C(=O)c1cncc(C#CC[NH3+])c1)c1ccccc1 ZINC000049629326 520116886 /nfs/dbraw/zinc/11/68/86/520116886.db2.gz LXYOQPVGDFTSAX-UHFFFAOYSA-N 1 0 279.343 2.059 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000068615999 520225476 /nfs/dbraw/zinc/22/54/76/520225476.db2.gz JYBYZBPWAKNAGY-IKGGRYGDSA-N 1 0 292.471 2.217 10 30 CEEERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C#N)c1ccccc1 ZINC000061615426 520718502 /nfs/dbraw/zinc/71/85/02/520718502.db2.gz WFEFWASDYJZCTR-UKRRQHHQSA-N 1 0 273.380 2.140 10 30 CEEERO CC[C@H](C)[C@@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000049105818 521817467 /nfs/dbraw/zinc/81/74/67/521817467.db2.gz INEYBSSHSHRKFS-NWDGAFQWSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@H](C)[C@H](C)NC(=O)c1ccc(OC)c(C#CC[NH3+])c1 ZINC000049105859 521933813 /nfs/dbraw/zinc/93/38/13/521933813.db2.gz ZKCVSHSRDGJKBJ-STQMWFEESA-N 1 0 288.391 2.170 10 30 CEEERO C[NH2+][C@H]1COc2cc(OCc3ccnc(C#N)c3)ccc21 ZINC000068750812 522507865 /nfs/dbraw/zinc/50/78/65/522507865.db2.gz PFQVIBQFFIIEDD-HNNXBMFYSA-N 1 0 281.315 2.185 10 30 CEEERO COCC1CC[NH+]([C@H](C)C[C@@](C)(C#N)NC2CC2)CC1 ZINC000068616610 522937730 /nfs/dbraw/zinc/93/77/30/522937730.db2.gz ZNXLDMQRQPGBNH-CJNGLKHVSA-N 1 0 279.428 2.158 10 30 CEEERO CN(Cc1cc(F)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000069402033 523183191 /nfs/dbraw/zinc/18/31/91/523183191.db2.gz JLVHOGPPQQYUIX-XYPWUTKMSA-N 1 0 273.355 2.412 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCCO)C[C@@H]1CCCO1 ZINC000049614098 523356809 /nfs/dbraw/zinc/35/68/09/523356809.db2.gz UUVUKUXIHQMAKU-KRWDZBQOSA-N 1 0 273.376 2.031 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CN(C)Cc1ccco1 ZINC000049609118 523514274 /nfs/dbraw/zinc/51/42/74/523514274.db2.gz FUYOSTBMSKLNTM-UHFFFAOYSA-N 1 0 284.359 2.230 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)CCC(C)C ZINC000049587314 523516325 /nfs/dbraw/zinc/51/63/25/523516325.db2.gz XQFVJPYLQRIMQB-UHFFFAOYSA-N 1 0 274.364 2.380 10 30 CEEERO CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609838 523516716 /nfs/dbraw/zinc/51/67/16/523516716.db2.gz UBSPZENYVWSQEJ-CZUORRHYSA-N 1 0 290.382 2.135 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@@H+]1CCC[C@@H]1C ZINC000049615236 523517502 /nfs/dbraw/zinc/51/75/02/523517502.db2.gz HPRIGNRIMUQRML-ZDUSSCGKSA-N 1 0 259.349 2.023 10 30 CEEERO CC[C@]1(C(=O)N(CCC#N)CC(C)C)CCC[NH2+]C1 ZINC000062857606 523534825 /nfs/dbraw/zinc/53/48/25/523534825.db2.gz SEBWQPIVVCHWJN-HNNXBMFYSA-N 1 0 265.401 2.164 10 30 CEEERO COCC[N@H+](CC(C)C)[C@@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068612510 523680903 /nfs/dbraw/zinc/68/09/03/523680903.db2.gz IOTPHVDTTXKRMA-HOCLYGCPSA-N 1 0 281.444 2.404 10 30 CEEERO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccnc(C#N)c1 ZINC000068751469 524106646 /nfs/dbraw/zinc/10/66/46/524106646.db2.gz SHXLWPNUNYAPHP-CQSZACIVSA-N 1 0 272.396 2.307 10 30 CEEERO COc1ccc(COCc2ccco2)cc1C#CC[NH3+] ZINC000049610363 524118587 /nfs/dbraw/zinc/11/85/87/524118587.db2.gz CNAAFFVTBBBZHG-UHFFFAOYSA-N 1 0 271.316 2.315 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])[C@@H]1C ZINC000050568524 524209405 /nfs/dbraw/zinc/20/94/05/524209405.db2.gz WWRDVXWZVJPQEI-CHWSQXEVSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049618522 524321187 /nfs/dbraw/zinc/32/11/87/524321187.db2.gz GMONYBJCOKPQMY-LBPRGKRZSA-N 1 0 261.340 2.400 10 30 CEEERO C[C@H]1CC[C@H](C[NH3+])CN1C(=O)Nc1cccc(C#N)c1 ZINC000070180857 524406412 /nfs/dbraw/zinc/40/64/12/524406412.db2.gz RLPQYWYHMUAIIY-WCQYABFASA-N 1 0 272.352 2.149 10 30 CEEERO C[C@@H]1CC[C@@H](C#N)[C@H](N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000062940836 524552668 /nfs/dbraw/zinc/55/26/68/524552668.db2.gz YSLROYHYWVCRSK-QKPAOTATSA-N 1 0 261.413 2.485 10 30 CEEERO C[C@H]([NH3+])Cc1cccc(OCc2ccnc(C#N)c2)c1 ZINC000068759341 524835169 /nfs/dbraw/zinc/83/51/69/524835169.db2.gz ZIDRZVWYUTYUQG-LBPRGKRZSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@H](NC(=O)c1ccoc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586761 525255838 /nfs/dbraw/zinc/25/58/38/525255838.db2.gz QBQQHGHDCCEDCC-LBPRGKRZSA-N 1 0 268.316 2.081 10 30 CEEERO C[C@@]([NH3+])(C(=O)NCc1cccc(C#N)c1)c1ccccc1 ZINC000052882028 525747436 /nfs/dbraw/zinc/74/74/36/525747436.db2.gz FBTXXZFDJTXAAD-KRWDZBQOSA-N 1 0 279.343 2.049 10 30 CEEERO Cc1nnc(SCc2cc(C#CC[NH3+])cs2)o1 ZINC000051038611 526386723 /nfs/dbraw/zinc/38/67/23/526386723.db2.gz OCNSQILTGUWLKI-UHFFFAOYSA-N 1 0 265.363 2.042 10 30 CEEERO N#Cc1c(NC(=O)CCCC[NH3+])sc2c1CCC2 ZINC000070203387 526528013 /nfs/dbraw/zinc/52/80/13/526528013.db2.gz GEZCXYSFIXOMLT-UHFFFAOYSA-N 1 0 263.366 2.176 10 30 CEEERO N#Cc1cc(N[C@@H]2CCC[C@H]2[NH3+])nc2ccccc12 ZINC000068771098 526573963 /nfs/dbraw/zinc/57/39/63/526573963.db2.gz OHKPJMJXOJYAPD-TZMCWYRMSA-N 1 0 252.321 2.398 10 30 CEEERO N#Cc1cc2c(nc1OC1CCC([NH3+])CC1)CCC2 ZINC000055143345 526579871 /nfs/dbraw/zinc/57/98/71/526579871.db2.gz MALPLFYWLOXPSB-UHFFFAOYSA-N 1 0 257.337 2.091 10 30 CEEERO N#Cc1cc2c(nc1OC[C@@H]1CCC[NH2+]C1)CCCC2 ZINC000051883257 526580591 /nfs/dbraw/zinc/58/05/91/526580591.db2.gz AMUPJAMGWXAMKY-GFCCVEGCSA-N 1 0 271.364 2.210 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccc(Cl)o2)cc1 ZINC000049586246 527150389 /nfs/dbraw/zinc/15/03/89/527150389.db2.gz IGQJZGMCHFZNFY-UHFFFAOYSA-N 1 0 288.734 2.173 10 30 CEEERO OCC#Cc1ccc(C[N@@H+]2CCCSCC2)c(F)c1 ZINC000049615037 527519392 /nfs/dbraw/zinc/51/93/92/527519392.db2.gz RFWZHEXTYFJQDN-UHFFFAOYSA-N 1 0 279.380 2.108 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000156804391 623483758 /nfs/dbraw/zinc/48/37/58/623483758.db2.gz QBFOHDBNUDFHGU-ZDUSSCGKSA-N 1 0 276.340 2.276 10 30 CEEERO CCc1nc(C#N)cc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000308320053 623659658 /nfs/dbraw/zinc/65/96/58/623659658.db2.gz ZXADNTKHVAKSFS-CYBMUJFWSA-N 1 0 275.400 2.299 10 30 CEEERO N#Cc1sc(NC[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000236076733 625867161 /nfs/dbraw/zinc/86/71/61/625867161.db2.gz APMBCDBAHAVERN-SSDOTTSWSA-N 1 0 256.762 2.080 10 30 CEEERO N#Cc1sc(NC[C@@H]2CCCC[NH2+]2)nc1Cl ZINC000236076703 625869734 /nfs/dbraw/zinc/86/97/34/625869734.db2.gz CENWWVPIGSAFED-ZETCQYMHSA-N 1 0 256.762 2.222 10 30 CEEERO C[C@]1(C[NH3+])CCN(c2nc3ccccc3cc2C#N)C1 ZINC000312619414 628328396 /nfs/dbraw/zinc/32/83/96/628328396.db2.gz HNJXSNXDWWAWFL-MRXNPFEDSA-N 1 0 266.348 2.282 10 30 CEEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000061891692 628921163 /nfs/dbraw/zinc/92/11/63/628921163.db2.gz HCSVEGXHCJADDE-DOTOQJQBSA-N 1 0 285.391 2.305 10 30 CEEERO Cc1nnc(NC[C@H]2[NH2+]CCc3ccccc32)c(C#N)c1C ZINC000262442151 630928503 /nfs/dbraw/zinc/92/85/03/630928503.db2.gz GWWJCISUODOFAG-MRXNPFEDSA-N 1 0 293.374 2.264 10 30 CEEERO COC[C@]1(CNc2c(C#N)cnc3ccccc32)CCC[NH2+]1 ZINC000262512033 631059578 /nfs/dbraw/zinc/05/95/78/631059578.db2.gz NBGJOPMNIMJMHA-QGZVFWFLSA-N 1 0 296.374 2.287 10 30 CEEERO CC#CC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000166184157 639451256 /nfs/dbraw/zinc/45/12/56/639451256.db2.gz ANGCLYXEMVXZKM-STQMWFEESA-N 1 0 266.385 2.293 10 30 CEEERO C[C@@]1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000129332306 651917696 /nfs/dbraw/zinc/91/76/96/651917696.db2.gz ZFMHSECYXJEHJW-CQSZACIVSA-N 1 0 274.324 2.268 10 30 CEEERO C=C(C)C(=O)NCCC[N+](C)(C)Cc1ccccc1 ZINC000002525442 717094773 /nfs/dbraw/zinc/09/47/73/717094773.db2.gz YBWHZRJWKIKBOL-UHFFFAOYSA-O 1 0 261.389 2.345 10 30 CEEERO CCC[C@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000037852818 361955159 /nfs/dbraw/zinc/95/51/59/361955159.db2.gz HPUJERBSWAFICW-JSGCOSHPSA-N 1 0 262.353 2.076 10 30 CEEERO N#Cc1ccc(N2CC[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000050244043 343542703 /nfs/dbraw/zinc/54/27/03/343542703.db2.gz RKSRHVWOJVRLPD-SECBINFHSA-N 1 0 255.243 2.114 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000128001461 187346131 /nfs/dbraw/zinc/34/61/31/187346131.db2.gz XPCUVYWMHGIFOY-AWEZNQCLSA-N 1 0 288.351 2.387 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C#N)c1 ZINC000083550758 178580667 /nfs/dbraw/zinc/58/06/67/178580667.db2.gz LJRVQSLCPMNNNN-CZUORRHYSA-N 1 0 255.365 2.227 10 30 CEEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000123990415 344312435 /nfs/dbraw/zinc/31/24/35/344312435.db2.gz YKCIRPJRSJEIIQ-KGLIPLIRSA-N 1 0 263.385 2.061 10 30 CEEERO C#C[C@H]([NH2+]C)c1ccc(Br)cc1OC ZINC000130136214 344350372 /nfs/dbraw/zinc/35/03/72/344350372.db2.gz UQFFYPXHHYVZAB-JTQLQIEISA-N 1 0 254.127 2.351 10 30 CEEERO CN(CCC[NH3+])c1cccc(Br)c1C#N ZINC000165085474 344473823 /nfs/dbraw/zinc/47/38/23/344473823.db2.gz CEEAUJLHAFCQMH-UHFFFAOYSA-N 1 0 268.158 2.106 10 30 CEEERO CCCC[NH+](CCCC)CCCNC(=O)CC#N ZINC000220278687 344538565 /nfs/dbraw/zinc/53/85/65/344538565.db2.gz MCWZOQGKAKHLRY-UHFFFAOYSA-N 1 0 253.390 2.309 10 30 CEEERO N#Cc1ccnc(N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000227724933 344556432 /nfs/dbraw/zinc/55/64/32/344556432.db2.gz PJAIUUGPVUBXTH-HNNXBMFYSA-N 1 0 264.332 2.016 10 30 CEEERO C#C[C@@H]([NH3+])c1ccc(F)cc1I ZINC000236301645 344594715 /nfs/dbraw/zinc/59/47/15/344594715.db2.gz DLRGHEPGKFNYLV-SECBINFHSA-N 1 0 275.064 2.063 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCc3nccn3C2)s1 ZINC000328636580 344757631 /nfs/dbraw/zinc/75/76/31/344757631.db2.gz OCVNZHUFICVLBE-LLVKDONJSA-N 1 0 272.377 2.168 10 30 CEEERO N#Cc1ncccc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594693326 345672848 /nfs/dbraw/zinc/67/28/48/345672848.db2.gz MVFCPOIRJKNZIC-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO C[NH2+]C[C@H](C)Nc1ccc(Br)cc1C#N ZINC000596032459 345926689 /nfs/dbraw/zinc/92/66/89/345926689.db2.gz LALPEAADASBBBW-QMMMGPOBSA-N 1 0 268.158 2.341 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000085361265 179033013 /nfs/dbraw/zinc/03/30/13/179033013.db2.gz REJRLPBHSPPOFT-ZYHUDNBSSA-N 1 0 263.728 2.278 10 30 CEEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc(C#N)cc1F)C2 ZINC000600956267 346717532 /nfs/dbraw/zinc/71/75/32/346717532.db2.gz QZSFPYGUYJHTRM-GASCZTMLSA-N 1 0 259.328 2.133 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N2CCCCC[C@H]([NH3+])C2)c1 ZINC000600959540 346718640 /nfs/dbraw/zinc/71/86/40/346718640.db2.gz YUNSTJUWMWFOOO-LBPRGKRZSA-N 1 0 274.324 2.174 10 30 CEEERO N#Cc1ccncc1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000600961223 346719498 /nfs/dbraw/zinc/71/94/98/346719498.db2.gz NVTCXKSWBAMPRS-OAHLLOKOSA-N 1 0 266.348 2.325 10 30 CEEERO C[C@H]1CN(c2c(C#N)cnc3ccccc32)C[C@@H]1C[NH3+] ZINC000600961622 346719840 /nfs/dbraw/zinc/71/98/40/346719840.db2.gz QLILKLLZNRGVKQ-AAEUAGOBSA-N 1 0 266.348 2.137 10 30 CEEERO C[C@@H]1C[C@H]([NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000600962819 346720479 /nfs/dbraw/zinc/72/04/79/346720479.db2.gz NDQFABYJTMSPBU-PWSUYJOCSA-N 1 0 252.321 2.032 10 30 CEEERO CC(C)[C@@H](C[NH+](C)C)Nc1c(C#N)nnc2ccccc21 ZINC000085920276 179199588 /nfs/dbraw/zinc/19/95/88/179199588.db2.gz AJFNIKKRNGUOPE-OAHLLOKOSA-N 1 0 283.379 2.500 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CC[NH3+])cc2)[C@@H]1C ZINC000086081168 179227698 /nfs/dbraw/zinc/22/76/98/179227698.db2.gz UOTHYVLJBKRWEI-XJKCOSOUSA-N 1 0 270.376 2.161 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2ccccc2C#CC[NH3+])[C@@H]1C ZINC000086081126 179227554 /nfs/dbraw/zinc/22/75/54/179227554.db2.gz UTDYKKDSNZYXRF-IOASZLSFSA-N 1 0 270.376 2.161 10 30 CEEERO C#CCN1CCC([NH2+]CC2(O)CCC(C)(C)CC2)CC1 ZINC000087045968 179388075 /nfs/dbraw/zinc/38/80/75/179388075.db2.gz XGMZNMROYMVGBW-UHFFFAOYSA-N 1 0 278.440 2.005 10 30 CEEERO CC1CCC(O)(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000087063136 179389604 /nfs/dbraw/zinc/38/96/04/179389604.db2.gz KEPJTGDALYBQEU-PWZRNIHTSA-N 1 0 288.391 2.122 10 30 CEEERO C=CC[NH2+]CCN(C)[C@H](C)Cc1ccccc1OC ZINC000088243161 179569595 /nfs/dbraw/zinc/56/95/95/179569595.db2.gz JJCACVIZBFIFNQ-CQSZACIVSA-N 1 0 262.397 2.334 10 30 CEEERO CC[C@@H]([NH3+])CSCCC(=O)Nc1ccc(C#N)cc1 ZINC000090357089 179975490 /nfs/dbraw/zinc/97/54/90/179975490.db2.gz NFLPSHJRBKHXRL-GFCCVEGCSA-N 1 0 277.393 2.357 10 30 CEEERO CC[C@H]([NH3+])Cc1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091006131 180084809 /nfs/dbraw/zinc/08/48/09/180084809.db2.gz SRJHWFJPDHYPGS-AWEZNQCLSA-N 1 0 254.337 2.083 10 30 CEEERO CCN(C(=O)c1ccncc1C#CC[NH3+])c1ccccc1 ZINC000091460942 180161295 /nfs/dbraw/zinc/16/12/95/180161295.db2.gz FIGLFDVZKVKCLU-UHFFFAOYSA-N 1 0 279.343 2.059 10 30 CEEERO Cc1ccc(C)c(NC(=O)c2ccncc2C#CC[NH3+])c1 ZINC000091461163 180161883 /nfs/dbraw/zinc/16/18/83/180161883.db2.gz WVDOCDFJMVVPHT-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO CC[C@H]1CCCC[C@@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462165 180162256 /nfs/dbraw/zinc/16/22/56/180162256.db2.gz AMFRPGZUGKMQIK-BBRMVZONSA-N 1 0 285.391 2.090 10 30 CEEERO CCC1(C)CCN(C(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091463104 180162689 /nfs/dbraw/zinc/16/26/89/180162689.db2.gz WGDQPJSTAYVRBC-UHFFFAOYSA-N 1 0 285.391 2.044 10 30 CEEERO CSC1(C#N)CC[NH+]([C@H]2CCCCC[C@@H]2O)CC1 ZINC000091471115 180164898 /nfs/dbraw/zinc/16/48/98/180164898.db2.gz OAHYJWLFMYCQMH-STQMWFEESA-N 1 0 268.426 2.401 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091542090 180184178 /nfs/dbraw/zinc/18/41/78/180184178.db2.gz KADUWBRLIVLXRS-GHMZBOCLSA-N 1 0 261.300 2.072 10 30 CEEERO CCN(CC)C(=O)Nc1ccc(C#CC[NH3+])cc1F ZINC000091962362 180293288 /nfs/dbraw/zinc/29/32/88/180293288.db2.gz CYGGFTVSIGQIFG-UHFFFAOYSA-N 1 0 263.316 2.010 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000092133975 180331477 /nfs/dbraw/zinc/33/14/77/180331477.db2.gz KLFUJFYUGHQFPO-LBPRGKRZSA-N 1 0 275.352 2.163 10 30 CEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000105873813 186081806 /nfs/dbraw/zinc/08/18/06/186081806.db2.gz KECWIBVSFTVFJR-OAHLLOKOSA-N 1 0 295.390 2.378 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc2nc(C)sc2c1 ZINC000092473858 180394235 /nfs/dbraw/zinc/39/42/35/180394235.db2.gz QPIDRPKVDRVRRT-UHFFFAOYSA-N 1 0 261.350 2.319 10 30 CEEERO N#Cc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)cn2ccccc12 ZINC000107925572 186198479 /nfs/dbraw/zinc/19/84/79/186198479.db2.gz VWLFIFDBXSHNPC-YIONKMFJSA-N 1 0 281.359 2.299 10 30 CEEERO C[N@@H+]1CCN(Cc2ccc(C#CCCO)s2)CC1(C)C ZINC000110734742 186318225 /nfs/dbraw/zinc/31/82/25/186318225.db2.gz MJFSBDCFVWIRFD-UHFFFAOYSA-N 1 0 292.448 2.008 10 30 CEEERO N#Cc1cc(F)ccc1N1C[C@@H]2C[C@@H]([NH3+])CC[C@@H]2C1 ZINC000111027126 186346190 /nfs/dbraw/zinc/34/61/90/186346190.db2.gz XIBGRUFRRQIQSU-OSMZGAPFSA-N 1 0 259.328 2.261 10 30 CEEERO CC1CCC([NH3+])(c2noc(-c3ccc(C#N)cn3)n2)CC1 ZINC000111283919 186389773 /nfs/dbraw/zinc/38/97/73/186389773.db2.gz QTXFOPUXWGRLPO-UHFFFAOYSA-N 1 0 283.335 2.367 10 30 CEEERO N#Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1 ZINC000122488382 187034924 /nfs/dbraw/zinc/03/49/24/187034924.db2.gz LQXBQZAVBQTJFH-UHFFFAOYSA-N 1 0 281.315 2.148 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000130571070 187504219 /nfs/dbraw/zinc/50/42/19/187504219.db2.gz JJCVSFDUYRVMTH-LLVKDONJSA-N 1 0 262.313 2.396 10 30 CEEERO C[C@@H](C[NH3+])N(C)c1ccc(C#N)cc1Br ZINC000335606732 295894172 /nfs/dbraw/zinc/89/41/72/295894172.db2.gz BCYUYJPDJPBCEL-QMMMGPOBSA-N 1 0 268.158 2.104 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CC[C@H]([NH3+])[C@H]3C1)CCCC2 ZINC000261602333 283117136 /nfs/dbraw/zinc/11/71/36/283117136.db2.gz BZHBHHZTERKURN-QEJZJMRPSA-N 1 0 282.391 2.006 10 30 CEEERO N#Cc1nnc2ccccc2c1N1CCC[C@@H](CC[NH3+])C1 ZINC000085921039 283258292 /nfs/dbraw/zinc/25/82/92/283258292.db2.gz FEZFVTLUMBFZIJ-LBPRGKRZSA-N 1 0 281.363 2.067 10 30 CEEERO CC(C)[NH2+]CCCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000579217738 366610166 /nfs/dbraw/zinc/61/01/66/366610166.db2.gz MXMXDODBGOTLHI-UHFFFAOYSA-N 1 0 262.313 2.266 10 30 CEEERO N#Cc1c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cn2ccccc12 ZINC000177767012 189067877 /nfs/dbraw/zinc/06/78/77/189067877.db2.gz RNQZLSYXTKFGHR-MRXNPFEDSA-N 1 0 294.402 2.481 10 30 CEEERO N#Cc1ccccc1OCCN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000093952696 364242628 /nfs/dbraw/zinc/24/26/28/364242628.db2.gz PZWBVBCWCZGMAY-MRXNPFEDSA-N 1 0 285.391 2.107 10 30 CEEERO CC(C)[NH2+]CCCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000582835664 366964669 /nfs/dbraw/zinc/96/46/69/366964669.db2.gz JXLHPMWRNIYTIT-UHFFFAOYSA-N 1 0 262.313 2.266 10 30 CEEERO C[NH+](C)[C@H]1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000171071311 367471154 /nfs/dbraw/zinc/47/11/54/367471154.db2.gz NSDVDSMYGSKUBE-LBPRGKRZSA-N 1 0 292.770 2.379 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000174988036 368086693 /nfs/dbraw/zinc/08/66/93/368086693.db2.gz KRZCLYRFIGKZCN-HZPDHXFCSA-N 1 0 283.375 2.257 10 30 CEEERO N#Cc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246218299 370929027 /nfs/dbraw/zinc/92/90/27/370929027.db2.gz PYBZYGUIQGIDHZ-INIZCTEOSA-N 1 0 255.365 2.228 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000229608199 370428593 /nfs/dbraw/zinc/42/85/93/370428593.db2.gz VJGOYDGHIOJELT-ONGXEEELSA-N 1 0 260.297 2.019 10 30 CEEERO Cc1nc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000261594330 371668526 /nfs/dbraw/zinc/66/85/26/371668526.db2.gz NLZKUFONIBXJDT-CABZTGNLSA-N 1 0 278.787 2.336 10 30 CEEERO C[C@@]1(C[NH3+])CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000261576490 371657737 /nfs/dbraw/zinc/65/77/37/371657737.db2.gz NRRNIAOWEYDTIW-ZDUSSCGKSA-N 1 0 251.280 2.012 10 30 CEEERO N#Cc1cccnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261816195 371742284 /nfs/dbraw/zinc/74/22/84/371742284.db2.gz SUXIDKIWVRGCAP-OAHLLOKOSA-N 1 0 264.332 2.252 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncccc1C#N ZINC000267303576 372067764 /nfs/dbraw/zinc/06/77/64/372067764.db2.gz VFBCVULCQRRJCI-KBPBESRZSA-N 1 0 256.353 2.016 10 30 CEEERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000269453457 372455093 /nfs/dbraw/zinc/45/50/93/372455093.db2.gz WJIAAELQQWZHCB-CYBMUJFWSA-N 1 0 250.317 2.194 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000382464720 375186171 /nfs/dbraw/zinc/18/61/71/375186171.db2.gz ZPFSUHVLFBAQGK-GHMZBOCLSA-N 1 0 260.297 2.148 10 30 CEEERO O[C@@H]1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C1 ZINC000398746581 375353211 /nfs/dbraw/zinc/35/32/11/375353211.db2.gz SMSCRGMXZMXYHX-GVDBMIGSSA-N 1 0 255.361 2.131 10 30 CEEERO N#CCc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1 ZINC000398982347 375355030 /nfs/dbraw/zinc/35/50/30/375355030.db2.gz GLHQOGBFGDODTD-ULQDDVLXSA-N 1 0 270.376 2.345 10 30 CEEERO C#CCOc1ccccc1C[NH2+]C[C@@H](O)C(C)(C)C ZINC000264864268 190139856 /nfs/dbraw/zinc/13/98/56/190139856.db2.gz PPPXCJBUFXIEFY-OAHLLOKOSA-N 1 0 261.365 2.195 10 30 CEEERO CN[C@]1(C#N)CCC[C@H]1CC[NH+]1CCC(COC)CC1 ZINC000093573824 184692119 /nfs/dbraw/zinc/69/21/19/184692119.db2.gz KHQXJPBWPBZRQL-HOTGVXAUSA-N 1 0 279.428 2.017 10 30 CEEERO N#Cc1ccsc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093677451 184704862 /nfs/dbraw/zinc/70/48/62/184704862.db2.gz WALDOWIUTWENEJ-CLYYMRHHSA-N 1 0 275.377 2.479 10 30 CEEERO N#Cc1cccc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000094749221 184852574 /nfs/dbraw/zinc/85/25/74/184852574.db2.gz SGGKPBBDQNNZBQ-KBPBESRZSA-N 1 0 257.337 2.404 10 30 CEEERO CC(C)C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000094697680 184841692 /nfs/dbraw/zinc/84/16/92/184841692.db2.gz YYZACISEXOHPCZ-IUODEOHRSA-N 1 0 273.380 2.356 10 30 CEEERO CC(C)C[C@H](C[NH3+])C(=O)N(CCC#N)CC(C)C ZINC000094698892 184842269 /nfs/dbraw/zinc/84/22/69/184842269.db2.gz LPKXYXVBZDBUGH-CYBMUJFWSA-N 1 0 253.390 2.006 10 30 CEEERO C[C@@H]([NH3+])[C@@H](c1ccccc1Cl)n1ccnc1C#N ZINC000094936479 184896587 /nfs/dbraw/zinc/89/65/87/184896587.db2.gz QYBRSPQNDARESF-RNCFNFMXSA-N 1 0 260.728 2.345 10 30 CEEERO C=CCCCCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000248721724 394546368 /nfs/dbraw/zinc/54/63/68/394546368.db2.gz FTQOYNRYVSIILO-JKSUJKDBSA-N 1 0 266.429 2.385 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@@H]1C[NH3+] ZINC000094337359 394670248 /nfs/dbraw/zinc/67/02/48/394670248.db2.gz SDMCWQHTBCSYMU-SNVBAGLBSA-N 1 0 284.285 2.290 10 30 CEEERO CCC[C@@H](C(=O)NCc1ccc(C#N)cc1F)[NH+](C)C ZINC000178661573 395172659 /nfs/dbraw/zinc/17/26/59/395172659.db2.gz AMTKZHOGXJDPHS-AWEZNQCLSA-N 1 0 277.343 2.044 10 30 CEEERO Cc1nc(N2CCC[C@H](CC[NH3+])C2)c(Cl)cc1C#N ZINC000261631090 153794909 /nfs/dbraw/zinc/79/49/09/153794909.db2.gz VWLQLJBFPOPHRE-LLVKDONJSA-N 1 0 278.787 2.480 10 30 CEEERO CC[NH+]1CCC(Nc2ccc(OCC#N)cc2)CC1 ZINC000020126406 171010294 /nfs/dbraw/zinc/01/02/94/171010294.db2.gz ICZMCTKPWTVCKC-UHFFFAOYSA-N 1 0 259.353 2.485 10 30 CEEERO C[NH+](C)CCN[C@@H](C#N)c1cccc(Br)c1 ZINC000020176175 171042374 /nfs/dbraw/zinc/04/23/74/171042374.db2.gz ZUUJTSOIEQYUGT-LBPRGKRZSA-N 1 0 282.185 2.165 10 30 CEEERO CCOc1ccc(-c2nc(C#N)c(N3CC[NH2+]CC3)o2)cc1 ZINC000040165748 174197589 /nfs/dbraw/zinc/19/75/89/174197589.db2.gz NUKLCCFHTQGKMA-UHFFFAOYSA-N 1 0 298.346 2.022 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1cccc(OC)c1)N(C)CCC#N ZINC000043026044 174945811 /nfs/dbraw/zinc/94/58/11/174945811.db2.gz OWKWTQJNVURLMG-LSDHHAIUSA-N 1 0 261.369 2.319 10 30 CEEERO COc1cccc([C@H]([C@@H](C)[NH3+])N(CCC#N)C2CC2)c1 ZINC000043028466 174948302 /nfs/dbraw/zinc/94/83/02/174948302.db2.gz ZYGBVYFSKKGGQM-WBMJQRKESA-N 1 0 273.380 2.462 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342562 175015634 /nfs/dbraw/zinc/01/56/34/175015634.db2.gz POLSVNUPCGKKIU-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO N#Cc1c(F)cccc1O[C@H](C[NH3+])c1ccncc1 ZINC000043356207 175023712 /nfs/dbraw/zinc/02/37/12/175023712.db2.gz WLOKBMAXYJNZQM-CQSZACIVSA-N 1 0 257.268 2.171 10 30 CEEERO Cc1ccc(C#N)c(N[C@@H]2CC[NH2+]C3(CCC3)C2)n1 ZINC000043395890 175035760 /nfs/dbraw/zinc/03/57/60/175035760.db2.gz RKWLMZRWYRCUAZ-CYBMUJFWSA-N 1 0 256.353 2.348 10 30 CEEERO CN1CCC([N@H+](C)Cc2sccc2C#CCCO)CC1 ZINC000043679162 175089935 /nfs/dbraw/zinc/08/99/35/175089935.db2.gz FNBXKBXWZPBLSS-UHFFFAOYSA-N 1 0 292.448 2.008 10 30 CEEERO CC[C@H]1CO[C@@H](C)CN1Cc1sccc1C#CC[NH3+] ZINC000043683988 175092456 /nfs/dbraw/zinc/09/24/56/175092456.db2.gz XOCYGZSFEBVBFR-JSGCOSHPSA-N 1 0 278.421 2.058 10 30 CEEERO [NH3+]CC#Cc1ccsc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000043684283 175093363 /nfs/dbraw/zinc/09/33/63/175093363.db2.gz CTUATRNCSYGAEE-LSDHHAIUSA-N 1 0 290.432 2.202 10 30 CEEERO CCCN[C@@](C)(C#N)CCN(CC[NH+](C)C)CC(C)C ZINC000045181791 175325005 /nfs/dbraw/zinc/32/50/05/175325005.db2.gz QKZBZFDNJYWAOH-MRXNPFEDSA-N 1 0 282.476 2.178 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](CC)C[C@@H]1CCCO1 ZINC000045182065 175325710 /nfs/dbraw/zinc/32/57/10/175325710.db2.gz BBPGVGIYHGSTNQ-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@](C)(C#N)CCCCN1CC[NH+](CC)CC1 ZINC000045306535 175356000 /nfs/dbraw/zinc/35/60/00/175356000.db2.gz SBZTYLODVIAOPI-INIZCTEOSA-N 1 0 280.460 2.076 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](C)C1CCN(C)CC1 ZINC000045307875 175356429 /nfs/dbraw/zinc/35/64/29/175356429.db2.gz AIJZXSVCXXLHTH-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[NH+]1CCC(OC)CC1 ZINC000045310332 175356502 /nfs/dbraw/zinc/35/65/02/175356502.db2.gz NXYQKKZGDIHADV-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000045311482 175356743 /nfs/dbraw/zinc/35/67/43/175356743.db2.gz SCPIQNBUVCPIFY-INIZCTEOSA-N 1 0 280.460 2.073 10 30 CEEERO CCN1CCC([N@H+](C)CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045317162 175357886 /nfs/dbraw/zinc/35/78/86/175357886.db2.gz ABNLZIRXEZBQLB-KRWDZBQOSA-N 1 0 292.471 2.217 10 30 CEEERO CCC(CC)[N@H+](CCC[C@@](C)(C#N)NC)CCOC ZINC000045319523 175359211 /nfs/dbraw/zinc/35/92/11/175359211.db2.gz TWJCVKGGXLOPES-HNNXBMFYSA-N 1 0 269.433 2.405 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC(=O)N(C)C1 ZINC000658239199 415270451 /nfs/dbraw/zinc/27/04/51/415270451.db2.gz BUVFONSXNZXFCG-MCIONIFRSA-N 1 0 250.386 2.189 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccccc1F)N(CCC#N)CCOC ZINC000071222477 176088171 /nfs/dbraw/zinc/08/81/71/176088171.db2.gz ZOSVMQKISKMZHB-JKSUJKDBSA-N 1 0 293.386 2.466 10 30 CEEERO CC(C)C[N@H+](C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266790 176100663 /nfs/dbraw/zinc/10/06/63/176100663.db2.gz OOJDAWRTCCMFNF-UHFFFAOYSA-N 1 0 253.321 2.008 10 30 CEEERO CCN(c1c(C#N)cnc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071314200 176120593 /nfs/dbraw/zinc/12/05/93/176120593.db2.gz MHZOMDLLODDPGP-CYBMUJFWSA-N 1 0 266.348 2.295 10 30 CEEERO CCN(c1nc2ccccc2cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071386137 176147359 /nfs/dbraw/zinc/14/73/59/176147359.db2.gz CNRJFBQSJPJUSJ-CQSZACIVSA-N 1 0 266.348 2.295 10 30 CEEERO CN(CCC[NH+](C)C)c1nc2ccccc2cc1C#N ZINC000071390169 176148302 /nfs/dbraw/zinc/14/83/02/176148302.db2.gz UCAODFVECPTJNH-UHFFFAOYSA-N 1 0 268.364 2.494 10 30 CEEERO CSCC[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1C ZINC000076772163 177087288 /nfs/dbraw/zinc/08/72/88/177087288.db2.gz HDNQPEXXCPVRCC-SNVBAGLBSA-N 1 0 251.399 2.436 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000177107164 261687069 /nfs/dbraw/zinc/68/70/69/261687069.db2.gz AKNRQJRWEGPNLO-CZUORRHYSA-N 1 0 298.390 2.453 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(F)c1C#N ZINC000188409742 262295079 /nfs/dbraw/zinc/29/50/79/262295079.db2.gz NQFHVGGFGATCAP-GFCCVEGCSA-N 1 0 289.354 2.254 10 30 CEEERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(Br)cc1C#N ZINC000261575161 274437919 /nfs/dbraw/zinc/43/79/19/274437919.db2.gz JQBQBYQNAHEYSJ-LDYMZIIASA-N 1 0 280.169 2.247 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(C#N)cn1 ZINC000252662429 274373366 /nfs/dbraw/zinc/37/33/66/274373366.db2.gz YYLDDEPZVJGRAO-OCCSQVGLSA-N 1 0 256.353 2.016 10 30 CEEERO C#CCCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000159443171 275379124 /nfs/dbraw/zinc/37/91/24/275379124.db2.gz FTDHVOUNPGYXOH-MRXNPFEDSA-N 1 0 287.407 2.392 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](CO)c1ccccc1 ZINC000183660836 276860659 /nfs/dbraw/zinc/86/06/59/276860659.db2.gz FKIJLHFRXRWDGN-GOEBONIOSA-N 1 0 290.407 2.123 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncccc1C#N ZINC000267303580 281195954 /nfs/dbraw/zinc/19/59/54/281195954.db2.gz VFBCVULCQRRJCI-UONOGXRCSA-N 1 0 256.353 2.016 10 30 CEEERO CN(CCC[NH3+])c1ccc(Br)cc1C#N ZINC000165309399 297462870 /nfs/dbraw/zinc/46/28/70/297462870.db2.gz IPBLWRZVFUKUEO-UHFFFAOYSA-N 1 0 268.158 2.106 10 30 CEEERO Cc1nc(N[C@H]2CC[C@@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000382465673 321840307 /nfs/dbraw/zinc/84/03/07/321840307.db2.gz LQZKXNFLFSWHME-KOLCDFICSA-N 1 0 264.760 2.454 10 30 CEEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000389736214 321892052 /nfs/dbraw/zinc/89/20/52/321892052.db2.gz UZGQIBXBHWGECG-PSASIEDQSA-N 1 0 284.285 2.382 10 30 CEEERO C=CCSCCNC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000177463342 329184287 /nfs/dbraw/zinc/18/42/87/329184287.db2.gz KJQWHYYKIVKKFN-CYBMUJFWSA-N 1 0 285.457 2.031 10 30 CEEERO CCc1nc(CCNC(=[NH2+])NC(C)(C)C)sc1C ZINC000261984767 329994175 /nfs/dbraw/zinc/99/41/75/329994175.db2.gz JLJBDWOEUDOWBJ-UHFFFAOYSA-N 1 0 268.430 2.259 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N1CCSC(C)(C)C1 ZINC000262012481 329997173 /nfs/dbraw/zinc/99/71/73/329997173.db2.gz VGLNURZHGLICPB-GHMZBOCLSA-N 1 0 255.431 2.188 10 30 CEEERO [NH2+]=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCOCC1 ZINC000262454868 330014293 /nfs/dbraw/zinc/01/42/93/330014293.db2.gz RLECMIYAJJTEMI-QWRGUYRKSA-N 1 0 293.333 2.002 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=[NH2+])NC(C)C ZINC000262522164 330022812 /nfs/dbraw/zinc/02/28/12/330022812.db2.gz JAQFTUYHHLMLOF-DZGCQCFKSA-N 1 0 261.369 2.038 10 30 CEEERO C[C@@H]1C[NH+]=C(N[C@H]2C[C@H]2c2c(F)cccc2Cl)N1 ZINC000262675901 330026075 /nfs/dbraw/zinc/02/60/75/330026075.db2.gz TYOJPUFKDDLRST-XLDPMVHQSA-N 1 0 267.735 2.272 10 30 CEEERO COc1ccc([C@H]2C[C@H](NC3=[NH+]C[C@@H](C)N3)C2)cc1F ZINC000262687022 330027147 /nfs/dbraw/zinc/02/71/47/330027147.db2.gz YTDSVAQLPSEXJV-YUSALJHKSA-N 1 0 277.343 2.018 10 30 CEEERO Cc1ccc(CNC2=[NH+]C[C@@H](C)N2)c(OC(C)C)c1 ZINC000262688513 330027317 /nfs/dbraw/zinc/02/73/17/330027317.db2.gz ZJVBWNHZIMGSKF-GFCCVEGCSA-N 1 0 261.369 2.220 10 30 CEEERO CN1CCC[NH+]=C1N[C@@H]1COc2cccc(Cl)c21 ZINC000263044779 330040524 /nfs/dbraw/zinc/04/05/24/330040524.db2.gz CUHTXYWTCDGZDP-SNVBAGLBSA-N 1 0 265.744 2.055 10 30 CEEERO C[C@H]1CN(C(=[NH2+])NC[C@@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000263155061 330046271 /nfs/dbraw/zinc/04/62/71/330046271.db2.gz PWIDOTUFICKWCE-QEJZJMRPSA-N 1 0 279.428 2.238 10 30 CEEERO [NH2+]=C(N[C@H]1CCC12CCCC2)N1CCSCC1 ZINC000263269230 330051423 /nfs/dbraw/zinc/05/14/23/330051423.db2.gz OJQMEEXDFZONNH-NSHDSACASA-N 1 0 253.415 2.073 10 30 CEEERO N#CCCC[C@@H]([NH3+])C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000424058931 330218714 /nfs/dbraw/zinc/21/87/14/330218714.db2.gz AEHYHRZLBMLSDM-VQXHTEKXSA-N 1 0 291.317 2.245 10 30 CEEERO CC#CC[NH+]1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000190352267 333206096 /nfs/dbraw/zinc/20/60/96/333206096.db2.gz PHGHTEDGAISINA-UHFFFAOYSA-N 1 0 294.439 2.138 10 30 CEEERO C=C(C)COCC[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000125802833 333574042 /nfs/dbraw/zinc/57/40/42/333574042.db2.gz PUVFKWRZFJUFOT-GOSISDBHSA-N 1 0 288.435 2.486 10 30 CEEERO C=C[C@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000135094471 334115141 /nfs/dbraw/zinc/11/51/41/334115141.db2.gz HVMGPMIRLBJGGR-RHSMWYFYSA-N 1 0 296.455 2.140 10 30 CEEERO C=C(Cl)COc1cc(C[NH2+]C)ccc1[N+](=O)[O-] ZINC000050516768 518651062 /nfs/dbraw/zinc/65/10/62/518651062.db2.gz HGEMHXBUQYQGRY-UHFFFAOYSA-N 1 0 256.689 2.446 10 30 CEEERO CC(C)[NH2+]C[C@@H]1CCCN(c2ncccc2C#N)C1 ZINC000063140090 519723461 /nfs/dbraw/zinc/72/34/61/519723461.db2.gz CJNDPCCWYCQHDH-ZDUSSCGKSA-N 1 0 258.369 2.168 10 30 CEEERO CC[C@@H](C)[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049617204 522064778 /nfs/dbraw/zinc/06/47/78/522064778.db2.gz OINCHLIHSIJHSS-CYBMUJFWSA-N 1 0 261.365 2.269 10 30 CEEERO CC(C)(C)[NH+]1CCN(C(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061614752 518711403 /nfs/dbraw/zinc/71/14/03/518711403.db2.gz PLGYZEMUZGZCAX-HNNXBMFYSA-N 1 0 285.391 2.236 10 30 CEEERO C=CCNC(=O)COc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731332 518896079 /nfs/dbraw/zinc/89/60/79/518896079.db2.gz SIPUPZQEQRNGFR-UHFFFAOYSA-N 1 0 276.380 2.256 10 30 CEEERO CC(C)C[N@H+](C)CCOc1cccc(C#CCCO)c1 ZINC000049617744 519709043 /nfs/dbraw/zinc/70/90/43/519709043.db2.gz ZVCHSWNGYKMOSM-UHFFFAOYSA-N 1 0 275.392 2.387 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615633 519739472 /nfs/dbraw/zinc/73/94/72/519739472.db2.gz XGKNERJIGHBFEE-ZACQAIPSSA-N 1 0 292.471 2.215 10 30 CEEERO CC(C)C[NH2+]C[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000068760832 519746049 /nfs/dbraw/zinc/74/60/49/519746049.db2.gz ZDLKIWNSLSEBKA-MRXNPFEDSA-N 1 0 286.423 2.411 10 30 CEEERO CC[NH2+]CCCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050616950 519920794 /nfs/dbraw/zinc/92/07/94/519920794.db2.gz IQBPCZBJMFMWBG-UHFFFAOYSA-N 1 0 256.309 2.150 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615615 520032809 /nfs/dbraw/zinc/03/28/09/520032809.db2.gz DOWYURJAHWOHLH-GVDBMIGSSA-N 1 0 292.471 2.217 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611644 520103908 /nfs/dbraw/zinc/10/39/08/520103908.db2.gz RSJMPDMXUGOXDI-HOTGVXAUSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070127 520225204 /nfs/dbraw/zinc/22/52/04/520225204.db2.gz WUKWMPFDRZWXCX-HOTGVXAUSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615912 520228125 /nfs/dbraw/zinc/22/81/25/520228125.db2.gz BQQPSKIMBLOTIQ-JYJNAYRXSA-N 1 0 280.460 2.073 10 30 CEEERO CCC[C@@]1(C(=O)N(C)Cc2cccc(C#N)c2)CC[NH2+]C1 ZINC000062895172 520941655 /nfs/dbraw/zinc/94/16/55/520941655.db2.gz AYOATHSONNQIGD-QGZVFWFLSA-N 1 0 285.391 2.296 10 30 CEEERO CCCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000050891007 521146556 /nfs/dbraw/zinc/14/65/56/521146556.db2.gz PGZIHHZPEVOOCH-NSHDSACASA-N 1 0 264.394 2.367 10 30 CEEERO CC[N@H+](Cc1cc(C#CCO)ccc1OC)C1CC1 ZINC000049617365 521286168 /nfs/dbraw/zinc/28/61/68/521286168.db2.gz YPTZTRMKWXQJRC-UHFFFAOYSA-N 1 0 259.349 2.023 10 30 CEEERO CC[C@H](C)[C@@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000049105830 521817971 /nfs/dbraw/zinc/81/79/71/521817971.db2.gz KRKBSCSMANGXJV-NWDGAFQWSA-N 1 0 276.355 2.300 10 30 CEEERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(F)c(C#N)c1 ZINC000054628402 521956388 /nfs/dbraw/zinc/95/63/88/521956388.db2.gz KLYNJFFICJCLPO-QXMXGUDHSA-N 1 0 259.328 2.417 10 30 CEEERO CC[C@@H](C)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049617193 522060047 /nfs/dbraw/zinc/06/00/47/522060047.db2.gz PIDFZAHANKBSLG-CQSZACIVSA-N 1 0 261.365 2.140 10 30 CEEERO C[NH2+]Cc1cccc(OCc2cccnc2C#N)c1 ZINC000061656475 522135065 /nfs/dbraw/zinc/13/50/65/522135065.db2.gz LQDXHKXIJCUBDV-UHFFFAOYSA-N 1 0 253.305 2.252 10 30 CEEERO CC[C@H]([NH3+])c1cccc(S(=O)(=O)N(C)[C@@H](C)CC#N)c1 ZINC000063096536 522346384 /nfs/dbraw/zinc/34/63/84/522346384.db2.gz VKRHZLMWMALUGX-FZMZJTMJSA-N 1 0 295.408 2.019 10 30 CEEERO CC[C@H](NC(=O)c1ccc(F)cc1C#CC[NH3+])C(C)C ZINC000049148551 522534071 /nfs/dbraw/zinc/53/40/71/522534071.db2.gz LDVACURKOQPFPA-HNNXBMFYSA-N 1 0 276.355 2.300 10 30 CEEERO C[N@@H+](Cc1ccc(F)cc1C#CCCO)C[C@@H]1CCCO1 ZINC000049614163 523253768 /nfs/dbraw/zinc/25/37/68/523253768.db2.gz NWZJBXZXAKNKPC-KRWDZBQOSA-N 1 0 291.366 2.170 10 30 CEEERO C[N@H+](Cc1cccc(N)c1)Cc1ccnc(C#N)c1 ZINC000068755935 523314489 /nfs/dbraw/zinc/31/44/89/523314489.db2.gz MOANIDRAQAGRQN-UHFFFAOYSA-N 1 0 252.321 2.167 10 30 CEEERO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C#CCO ZINC000049614678 523350982 /nfs/dbraw/zinc/35/09/82/523350982.db2.gz KFKVMCIQMFOQAG-PBHICJAKSA-N 1 0 273.376 2.030 10 30 CEEERO CC[C@]1(C(=O)Nc2cccc(F)c2C#N)CC[NH2+]C1 ZINC000062891152 523545607 /nfs/dbraw/zinc/54/56/07/523545607.db2.gz DRSADJJJFSZZNI-AWEZNQCLSA-N 1 0 261.300 2.026 10 30 CEEERO COCC[N@H+]([C@@H](C)COC)[C@@H](C)C[C@](C)(C#N)NC(C)C 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C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000062855153 525300799 /nfs/dbraw/zinc/30/07/99/525300799.db2.gz FWUGELIUVUGKOC-MLGOLLRUSA-N 1 0 271.364 2.125 10 30 CEEERO C[C@@H]1C[C@@H]1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691997 525305483 /nfs/dbraw/zinc/30/54/83/525305483.db2.gz BMNSUOAGZKCHQG-KOLCDFICSA-N 1 0 262.740 2.245 10 30 CEEERO C[C@@H]1C[C@H]1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691999 525478513 /nfs/dbraw/zinc/47/85/13/525478513.db2.gz BMNSUOAGZKCHQG-MWLCHTKSSA-N 1 0 262.740 2.245 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@@H]1CCCO1 ZINC000183087292 525591976 /nfs/dbraw/zinc/59/19/76/525591976.db2.gz HEUBZYGQGDSFQL-XUJVJEKNSA-N 1 0 287.363 2.042 10 30 CEEERO Cc1ccoc1C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586942 525775816 /nfs/dbraw/zinc/77/58/16/525775816.db2.gz HPXDEFKZACXZMW-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO COc1cccc(CC[NH3+])c1OCc1ccnc(C#N)c1 ZINC000068759148 525893350 /nfs/dbraw/zinc/89/33/50/525893350.db2.gz BIPFXLJGJDQJKB-UHFFFAOYSA-N 1 0 283.331 2.042 10 30 CEEERO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052759564 526637752 /nfs/dbraw/zinc/63/77/52/526637752.db2.gz UMWYPNUYWIFQMK-AWEZNQCLSA-N 1 0 262.328 2.434 10 30 CEEERO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CCCO)c1F ZINC000223529262 526703344 /nfs/dbraw/zinc/70/33/44/526703344.db2.gz KZQKZMIMIPJWFS-CQSZACIVSA-N 1 0 262.328 2.434 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2ncccn2)c(F)c1 ZINC000049611450 527149802 /nfs/dbraw/zinc/14/98/02/527149802.db2.gz ZIJZDOSQGZKLOW-UHFFFAOYSA-N 1 0 273.336 2.218 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2ccncc2)c1 ZINC000061691979 527150456 /nfs/dbraw/zinc/15/04/56/527150456.db2.gz MUOMIXQQDGALSE-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO N#Cc1sc(N2CCC(CC[NH3+])CC2)nc1Cl ZINC000236168939 625601374 /nfs/dbraw/zinc/60/13/74/625601374.db2.gz WGENRXKEFGNSCY-UHFFFAOYSA-N 1 0 270.789 2.233 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccccc2C#N)C1 ZINC000255440986 624263168 /nfs/dbraw/zinc/26/31/68/624263168.db2.gz RLRPMHRAXSECSL-ZBTGYSDGSA-N 1 0 283.375 2.172 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220935463 624540444 /nfs/dbraw/zinc/54/04/44/624540444.db2.gz USSVKFHPDNWJHS-DLBZAZTESA-N 1 0 287.407 2.008 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000235172027 624972348 /nfs/dbraw/zinc/97/23/48/624972348.db2.gz KWWRFPPPPMFIJW-SFYZADRCSA-N 1 0 270.789 2.232 10 30 CEEERO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000248611869 625066642 /nfs/dbraw/zinc/06/66/42/625066642.db2.gz LAGWUVBVVWDJGS-BPUTZDHNSA-N 1 0 286.375 2.061 10 30 CEEERO N#Cc1cc(F)c(NC[C@H]2CC[C@@H]([NH3+])C2)c(F)c1 ZINC000311190644 627388479 /nfs/dbraw/zinc/38/84/79/627388479.db2.gz DMXJWZBNJOQSJI-WCBMZHEXSA-N 1 0 251.280 2.376 10 30 CEEERO C[NH2+]CC1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000063166380 628576162 /nfs/dbraw/zinc/57/61/62/628576162.db2.gz PKYRQYSYPRTOEE-UHFFFAOYSA-N 1 0 258.369 2.006 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCS[C@H](CC)C1 ZINC000262051690 629605983 /nfs/dbraw/zinc/60/59/83/629605983.db2.gz ZRMVHAVZZUVSGT-QJPTWQEYSA-N 1 0 255.431 2.188 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CCC[C@H]([NH3+])C1 ZINC000041030311 632368969 /nfs/dbraw/zinc/36/89/69/632368969.db2.gz OWQVNRGCAPAHFE-LBPRGKRZSA-N 1 0 252.321 2.034 10 30 CEEERO C=CCc1cc(CN2CC[C@@H]([NH+](C)C)C2)c(O)c(OC)c1 ZINC000164281834 639363295 /nfs/dbraw/zinc/36/32/95/639363295.db2.gz WOPFPHCZINKHIF-OAHLLOKOSA-N 1 0 290.407 2.265 10 30 CEEERO C=C(Cl)CN1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000105914979 640974240 /nfs/dbraw/zinc/97/42/40/640974240.db2.gz JTMHREJNZJFOON-CYBMUJFWSA-N 1 0 260.809 2.172 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127856144 651327412 /nfs/dbraw/zinc/32/74/12/651327412.db2.gz FVZPQYAWEFAXOY-MNOVXSKESA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCO ZINC000005276210 717099186 /nfs/dbraw/zinc/09/91/86/717099186.db2.gz NFKLPTMMLYYXEQ-SOUVJXGZSA-N 1 0 286.436 2.059 10 30 CEEERO [NH3+]CCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246379 539191808 /nfs/dbraw/zinc/19/18/08/539191808.db2.gz XKEVFNMRAZYSLG-UHFFFAOYSA-N 1 0 264.126 2.026 10 30 CEEERO CCN(CC[NH3+])c1ccc(Br)cc1C#N ZINC000165950724 344475441 /nfs/dbraw/zinc/47/54/41/344475441.db2.gz LKGJLUWFCDLOPL-UHFFFAOYSA-N 1 0 268.158 2.106 10 30 CEEERO C=C(Br)CN1CC[NH2+][C@H](C(C)(C)C)C1 ZINC000168384116 344480476 /nfs/dbraw/zinc/48/04/76/344480476.db2.gz VFCFXZHCIPULBE-JTQLQIEISA-N 1 0 261.207 2.215 10 30 CEEERO Cc1ccnc(N2CCc3ccccc3[C@H]2C[NH3+])c1C#N ZINC000227724154 344556368 /nfs/dbraw/zinc/55/63/68/344556368.db2.gz SKFRULKLSVHGFP-MRXNPFEDSA-N 1 0 278.359 2.324 10 30 CEEERO COc1cc(C[NH2+]CC[C@@H]2CCCO2)ccc1C#N ZINC000234910345 344588348 /nfs/dbraw/zinc/58/83/48/344588348.db2.gz UKFXTIAZTACMMX-AWEZNQCLSA-N 1 0 260.337 2.226 10 30 CEEERO CC(=O)O[C@@]1(C#Cc2ccccc2)CC[N@@H+](C)C[C@H]1C ZINC000584636799 344971318 /nfs/dbraw/zinc/97/13/18/344971318.db2.gz DYGLEMPSQGOBFF-PBHICJAKSA-N 1 0 271.360 2.312 10 30 CEEERO CC(C)(C#N)CCC[NH+]1CCN(c2ccc(N)cn2)CC1 ZINC000087599509 534983015 /nfs/dbraw/zinc/98/30/15/534983015.db2.gz DMLHBGKCZWWRMC-UHFFFAOYSA-N 1 0 287.411 2.116 10 30 CEEERO Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cn1 ZINC000127417388 187304593 /nfs/dbraw/zinc/30/45/93/187304593.db2.gz BHQOCBNQENRZNB-SJORKVTESA-N 1 0 296.374 2.162 10 30 CEEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594432803 345628382 /nfs/dbraw/zinc/62/83/82/345628382.db2.gz BWKMLGCWRCLMCB-YPMHNXCESA-N 1 0 251.374 2.093 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(NCC2([NH3+])CCCC2)c1 ZINC000594694379 345673749 /nfs/dbraw/zinc/67/37/49/345673749.db2.gz KXIPUHQBXFNOGT-UHFFFAOYSA-N 1 0 260.297 2.150 10 30 CEEERO N#CCCN(C(=O)[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000085357547 179031039 /nfs/dbraw/zinc/03/10/39/179031039.db2.gz CUGZAHQLKILSNN-UONOGXRCSA-N 1 0 257.337 2.061 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C[NH2+]1 ZINC000600956289 346717233 /nfs/dbraw/zinc/71/72/33/346717233.db2.gz YYZCCPQDOCANTK-PSASIEDQSA-N 1 0 251.280 2.389 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000336815935 365858043 /nfs/dbraw/zinc/85/80/43/365858043.db2.gz JTOSMHUJVBLGLU-JTQLQIEISA-N 1 0 262.313 2.396 10 30 CEEERO Cn1ccnc1CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037422 179221361 /nfs/dbraw/zinc/22/13/61/179221361.db2.gz OOELLWWRBGMNQF-UHFFFAOYSA-N 1 0 280.375 2.176 10 30 CEEERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)C#Cc1ccccc1 ZINC000086447908 179295440 /nfs/dbraw/zinc/29/54/40/179295440.db2.gz JCYPNOORVQDPLH-JKSUJKDBSA-N 1 0 270.376 2.027 10 30 CEEERO C[C@@H](CNc1c(C#N)nnc2ccccc21)[NH+]1CCCC1 ZINC000086485422 179301082 /nfs/dbraw/zinc/30/10/82/179301082.db2.gz RYKOPDMVFRJLEL-LBPRGKRZSA-N 1 0 281.363 2.398 10 30 CEEERO N#Cc1ccc([C@@H]2CNc3ccccc3N2CC[NH3+])cc1 ZINC000616684623 348560090 /nfs/dbraw/zinc/56/00/90/348560090.db2.gz NAQLVUMSDPTKET-KRWDZBQOSA-N 1 0 278.359 2.490 10 30 CEEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000130455124 365958760 /nfs/dbraw/zinc/95/87/60/365958760.db2.gz RDDKXLANRZAJET-HNNXBMFYSA-N 1 0 274.364 2.304 10 30 CEEERO CC[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nc(C)cc(C)c1C#N ZINC000090333945 179963992 /nfs/dbraw/zinc/96/39/92/179963992.db2.gz SPQKWOHTGLQXAD-VHDGCEQUSA-N 1 0 270.380 2.004 10 30 CEEERO C[NH2+]Cc1cccn1Cc1ccc(OC)c(C#N)c1 ZINC000090995818 180082889 /nfs/dbraw/zinc/08/28/89/180082889.db2.gz HOUSMTJFQYMTIQ-UHFFFAOYSA-N 1 0 255.321 2.136 10 30 CEEERO C[C@@H]([NH3+])Cc1cccn1Cc1cc(C#N)ccc1F ZINC000091005398 180084591 /nfs/dbraw/zinc/08/45/91/180084591.db2.gz NVWYYCZHGFCWDB-LLVKDONJSA-N 1 0 257.312 2.437 10 30 CEEERO CCC1CCC(NC(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091462181 180162332 /nfs/dbraw/zinc/16/23/32/180162332.db2.gz DWOYZDJTPDJNQQ-UHFFFAOYSA-N 1 0 285.391 2.090 10 30 CEEERO CSC1(C#N)CC[NH+]([C@@H]2CCCCC[C@H]2O)CC1 ZINC000091471117 180164955 /nfs/dbraw/zinc/16/49/55/180164955.db2.gz OAHYJWLFMYCQMH-CHWSQXEVSA-N 1 0 268.426 2.401 10 30 CEEERO Cc1cc([C@@H](C#N)N2CC[NH2+]CC2)ccc1Br ZINC000091471385 180165645 /nfs/dbraw/zinc/16/56/45/180165645.db2.gz NFGJQIDGKOULKA-CYBMUJFWSA-N 1 0 294.196 2.227 10 30 CEEERO N#Cc1ncccc1Cn1ccc([C@@H]([NH3+])C2CC2)c1 ZINC000091834745 180266682 /nfs/dbraw/zinc/26/66/82/180266682.db2.gz GOAIQFHZOXWAMQ-HNNXBMFYSA-N 1 0 252.321 2.213 10 30 CEEERO C#CCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842943 180269088 /nfs/dbraw/zinc/26/90/88/180269088.db2.gz KEFSKMDSSIDZCD-UHFFFAOYSA-N 1 0 266.385 2.435 10 30 CEEERO N#C[C@]1([C@]2(O)CC[N@@H+](C3CC3)C2)CCCc2ccccc21 ZINC000091878847 180278964 /nfs/dbraw/zinc/27/89/64/180278964.db2.gz LNEVBSZVCBXVQM-MSOLQXFVSA-N 1 0 282.387 2.383 10 30 CEEERO CC1CCC(C#N)([C@](C)(O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000091879216 180279416 /nfs/dbraw/zinc/27/94/16/180279416.db2.gz ATWBWTJLOIFYSV-PIOWNMBXSA-N 1 0 250.386 2.457 10 30 CEEERO CC(C)C1CCC(C#N)([C@@]2(O)CCC[NH2+]C2)CC1 ZINC000091879105 180279449 /nfs/dbraw/zinc/27/94/49/180279449.db2.gz PGFVNYMIBDBTPX-YMAMQOFZSA-N 1 0 250.386 2.457 10 30 CEEERO C=C[C@H](C)Oc1ccc(C)nc1C[NH2+]CCOC ZINC000091996578 180302060 /nfs/dbraw/zinc/30/20/60/180302060.db2.gz XLIYXJNJYQEZRW-LBPRGKRZSA-N 1 0 250.342 2.079 10 30 CEEERO C=C(C)[C@@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000092128200 180329418 /nfs/dbraw/zinc/32/94/18/180329418.db2.gz NIKLZNHRGOQKAM-HUUCEWRRSA-N 1 0 254.418 2.432 10 30 CEEERO C[C@@H]1C[NH+](CCOc2cccc(C#CCCO)c2)C[C@H]1C ZINC000092087045 180321505 /nfs/dbraw/zinc/32/15/05/180321505.db2.gz ZVLICDNHXVSLHP-HZPDHXFCSA-N 1 0 287.403 2.387 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000092202821 180343297 /nfs/dbraw/zinc/34/32/97/180343297.db2.gz LAUAXWHNYNQRSN-UWVGGRQHSA-N 1 0 295.264 2.419 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccccc1Br ZINC000105856818 186079915 /nfs/dbraw/zinc/07/99/15/186079915.db2.gz XERVMZGQRBQCRP-SNVBAGLBSA-N 1 0 297.196 2.402 10 30 CEEERO C#CCN1CCC([NH2+][C@@H](C)c2c(C)noc2C)CC1 ZINC000092327408 180362957 /nfs/dbraw/zinc/36/29/57/180362957.db2.gz KGHGKPDIFOVSFA-NSHDSACASA-N 1 0 261.369 2.040 10 30 CEEERO CC(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000092393922 180376059 /nfs/dbraw/zinc/37/60/59/180376059.db2.gz XRINRZNBXCLARP-WFASDCNBSA-N 1 0 262.353 2.256 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000092473764 180392935 /nfs/dbraw/zinc/39/29/35/180392935.db2.gz JNKKRFNTIYVENY-QWHCGFSZSA-N 1 0 252.402 2.483 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(C#N)cc1Br ZINC000092474078 180393865 /nfs/dbraw/zinc/39/38/65/180393865.db2.gz DIJFFMUQXZQOAR-UHFFFAOYSA-N 1 0 294.152 2.035 10 30 CEEERO C=CC[NH2+]CC(=O)N(Cc1ccc(C)o1)C(C)C ZINC000092474870 180393995 /nfs/dbraw/zinc/39/39/95/180393995.db2.gz KVMBVFWUACEGGH-UHFFFAOYSA-N 1 0 250.342 2.101 10 30 CEEERO CCC[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110250480 186288326 /nfs/dbraw/zinc/28/83/26/186288326.db2.gz AVWLBEUNJQDURO-KBPBESRZSA-N 1 0 263.385 2.013 10 30 CEEERO CCN(C(=O)Nc1ccc(C#N)cc1)[C@H]1CCC[NH2+]C1 ZINC000110941209 186334249 /nfs/dbraw/zinc/33/42/49/186334249.db2.gz JGQTXSFDLPMDDZ-AWEZNQCLSA-N 1 0 272.352 2.164 10 30 CEEERO CCN(c1nc2c(cc1C#N)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000110947647 186335884 /nfs/dbraw/zinc/33/58/84/186335884.db2.gz VZVUZJGIONKBMZ-CQSZACIVSA-N 1 0 270.380 2.020 10 30 CEEERO C[N@@H+]1CCN(CCCOc2ccccc2C#N)CC1(C)C ZINC000110719251 186316125 /nfs/dbraw/zinc/31/61/25/186316125.db2.gz CRADAWKSEYUXME-UHFFFAOYSA-N 1 0 287.407 2.353 10 30 CEEERO CC(=O)c1ccc(C#N)cc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000131314206 366042137 /nfs/dbraw/zinc/04/21/37/366042137.db2.gz QFDZSYGQQQBGCJ-CQSZACIVSA-N 1 0 269.348 2.045 10 30 CEEERO N#Cc1cc(Br)ccc1N1CCC(C[NH3+])CC1 ZINC000228703366 283086834 /nfs/dbraw/zinc/08/68/34/283086834.db2.gz LFSWXCMXRBVRKA-UHFFFAOYSA-N 1 0 294.196 2.496 10 30 CEEERO N#Cc1ccnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1Cl ZINC000236295221 283224571 /nfs/dbraw/zinc/22/45/71/283224571.db2.gz PEVFUGFHWJJLMR-QJPTWQEYSA-N 1 0 276.771 2.170 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000150857973 366601300 /nfs/dbraw/zinc/60/13/00/366601300.db2.gz DKLQGGKZBCMWLH-DOMZBBRYSA-N 1 0 286.379 2.408 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178671327 189136058 /nfs/dbraw/zinc/13/60/58/189136058.db2.gz LHCOYQLKBRVCAU-SMDDNHRTSA-N 1 0 291.351 2.326 10 30 CEEERO C[N@H+](CCCCC#N)[C@H]1CCCN(c2cccnn2)C1 ZINC000105804203 364702552 /nfs/dbraw/zinc/70/25/52/364702552.db2.gz AHFWRPVDLCIHDA-AWEZNQCLSA-N 1 0 273.384 2.071 10 30 CEEERO CC#CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000157627292 260849866 /nfs/dbraw/zinc/84/98/66/260849866.db2.gz NIFDEKIMDQVDLN-GFCCVEGCSA-N 1 0 265.378 2.154 10 30 CEEERO C=CCOCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000173142888 367872919 /nfs/dbraw/zinc/87/29/19/367872919.db2.gz QTWCIERXSVVEMC-MRXNPFEDSA-N 1 0 290.407 2.388 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(CC#N)c1 ZINC000177012894 368258179 /nfs/dbraw/zinc/25/81/79/368258179.db2.gz CQQZKOORLWXVDW-MRXNPFEDSA-N 1 0 285.391 2.309 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000246319167 370946953 /nfs/dbraw/zinc/94/69/53/370946953.db2.gz AKNRQJRWEGPNLO-CJNGLKHVSA-N 1 0 298.390 2.453 10 30 CEEERO C[C@@H]1CC(C[NH2+]Cc2nc(C#N)cs2)C[C@@H](C)O1 ZINC000352893376 369936943 /nfs/dbraw/zinc/93/69/43/369936943.db2.gz LNKOXSNXMMRFNK-NXEZZACHSA-N 1 0 265.382 2.308 10 30 CEEERO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1C#N ZINC000230664296 370462726 /nfs/dbraw/zinc/46/27/26/370462726.db2.gz NCWSEDLPDHDTST-HIFRSBDPSA-N 1 0 274.364 2.208 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)/C=C/c1ccccc1C#N ZINC000247254994 371083893 /nfs/dbraw/zinc/08/38/93/371083893.db2.gz NRIVUDZYGWIXGD-KPBXEYHCSA-N 1 0 295.386 2.267 10 30 CEEERO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000249123735 371297285 /nfs/dbraw/zinc/29/72/85/371297285.db2.gz IFCBUVYSXAREGP-QAPCUYQASA-N 1 0 299.418 2.019 10 30 CEEERO N#Cc1cnc(N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000312380677 376712993 /nfs/dbraw/zinc/71/29/93/376712993.db2.gz NEOBDAAMNPUNMG-AWEZNQCLSA-N 1 0 267.336 2.240 10 30 CEEERO N#Cc1cccc(NC(=O)OC[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000092745016 184625323 /nfs/dbraw/zinc/62/53/23/184625323.db2.gz WXCNIJZNENLWOH-OLZOCXBDSA-N 1 0 273.336 2.482 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[C@H]([NH3+])C1 ZINC000093220338 184656766 /nfs/dbraw/zinc/65/67/66/184656766.db2.gz NOCKWPYKJLCAOZ-JQWIXIFHSA-N 1 0 261.281 2.115 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@]1(CC)c1ccc(OC)cc1 ZINC000093375083 184668242 /nfs/dbraw/zinc/66/82/42/184668242.db2.gz BVURPPZULPIYCU-OAHLLOKOSA-N 1 0 259.353 2.117 10 30 CEEERO CC(C)[C@@H](C)CNC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000081109427 177771013 /nfs/dbraw/zinc/77/10/13/177771013.db2.gz RHWMRUCADXXTNO-LBPRGKRZSA-N 1 0 276.355 2.158 10 30 CEEERO C=CCN(C(=O)[C@@H]1CCCCC[NH2+]1)C1CCCC1 ZINC000080996649 177751553 /nfs/dbraw/zinc/75/15/53/177751553.db2.gz SIQGRZODFBTDNV-AWEZNQCLSA-N 1 0 250.386 2.476 10 30 CEEERO CC[C@H](C)[N@H+](CCOC)[C@@H]1CCC[C@@](C#N)(NC)C1 ZINC000093743233 184711570 /nfs/dbraw/zinc/71/15/70/184711570.db2.gz HZCZGMUJXUWWNK-RRFJBIMHSA-N 1 0 267.417 2.158 10 30 CEEERO CC(C)C[C@H](C[NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC000094699110 184842367 /nfs/dbraw/zinc/84/23/67/184842367.db2.gz RUODZYPYRLBAAQ-OAHLLOKOSA-N 1 0 273.380 2.160 10 30 CEEERO COC[C@H](C)CC(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000095037565 184920564 /nfs/dbraw/zinc/92/05/64/184920564.db2.gz UNXDILXXHZZRPP-LLVKDONJSA-N 1 0 294.782 2.261 10 30 CEEERO C[C@@H]1CC[C@@H](C[NH3+])CN1c1c(C#N)nnc2ccccc21 ZINC000085921063 135038835 /nfs/dbraw/zinc/03/88/35/135038835.db2.gz AHXUXIUCAWFWIN-NEPJUHHUSA-N 1 0 281.363 2.065 10 30 CEEERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1c(C#N)nnc2ccccc21 ZINC000085921026 135038837 /nfs/dbraw/zinc/03/88/37/135038837.db2.gz JHXKIQFXKJZJSH-NEPJUHHUSA-N 1 0 281.363 2.208 10 30 CEEERO CC1(C)C[NH2+]CCN1c1nc2c(cc1C#N)CCCC2 ZINC000088147078 135053187 /nfs/dbraw/zinc/05/31/87/135053187.db2.gz SJWQLYDWMMBRTA-UHFFFAOYSA-N 1 0 270.380 2.020 10 30 CEEERO C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1C[NH3+] ZINC000253193881 394576382 /nfs/dbraw/zinc/57/63/82/394576382.db2.gz PFLGFHZZPXRFIY-SWLSCSKDSA-N 1 0 284.407 2.253 10 30 CEEERO N#Cc1cc(N2CC[C@H]([NH3+])C2)ccc1C(F)(F)F ZINC000164073870 395085072 /nfs/dbraw/zinc/08/50/72/395085072.db2.gz KFXPRGNZOSDCQB-VIFPVBQESA-N 1 0 255.243 2.114 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000104971576 400261768 /nfs/dbraw/zinc/26/17/68/400261768.db2.gz YOFXFUDXVLTNBV-NVXWUHKLSA-N 1 0 275.392 2.298 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000261555880 153755184 /nfs/dbraw/zinc/75/51/84/153755184.db2.gz QFUUMHXTOVDEKJ-GZMMTYOYSA-N 1 0 295.184 2.255 10 30 CEEERO N#Cc1ccc(N2CC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000169222843 165036344 /nfs/dbraw/zinc/03/63/44/165036344.db2.gz MUFFXBCAJODRNJ-JTQLQIEISA-N 1 0 280.169 2.106 10 30 CEEERO CC(C)[NH2+]CCCC(=O)Nc1ccc(CC#N)cc1 ZINC000037634600 173583126 /nfs/dbraw/zinc/58/31/26/173583126.db2.gz YLQZHYIFIFYYLH-UHFFFAOYSA-N 1 0 259.353 2.469 10 30 CEEERO N#C[C@H](c1c(F)cccc1Cl)N1CCC[NH2+]CC1 ZINC000037940516 173880742 /nfs/dbraw/zinc/88/07/42/173880742.db2.gz MLBBZILGTIKUOO-GFCCVEGCSA-N 1 0 267.735 2.339 10 30 CEEERO N#Cc1nc(-c2ccccc2Cl)oc1N1CC[NH2+]CC1 ZINC000040165757 174197691 /nfs/dbraw/zinc/19/76/91/174197691.db2.gz MGDDKBYGKVWKFW-UHFFFAOYSA-N 1 0 288.738 2.276 10 30 CEEERO CC(C)[N@@H+]1CC[C@H](CNCc2ccccc2OCC#N)C1 ZINC000040622884 174356100 /nfs/dbraw/zinc/35/61/00/174356100.db2.gz UTNRYHMPLBNYAJ-OAHLLOKOSA-N 1 0 287.407 2.409 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+]Cc1cc2c(s1)CCC2 ZINC000040627570 174356895 /nfs/dbraw/zinc/35/68/95/174356895.db2.gz RQXQSCMKURYBMS-JTQLQIEISA-N 1 0 264.394 2.017 10 30 CEEERO C[C@@H]([NH3+])[C@H](c1ccc(Cl)s1)N(CC#N)CC#N ZINC000043252104 174994336 /nfs/dbraw/zinc/99/43/36/174994336.db2.gz SFURFCQJKRHACG-LDYMZIIASA-N 1 0 268.773 2.139 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000043326533 175008033 /nfs/dbraw/zinc/00/80/33/175008033.db2.gz ZDQBPRKGCZLKSF-SNVBAGLBSA-N 1 0 280.169 2.485 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1ccco1 ZINC000043336660 175012573 /nfs/dbraw/zinc/01/25/73/175012573.db2.gz JKNNDIVHKVIRKM-CQSZACIVSA-N 1 0 258.277 2.239 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349719 175019301 /nfs/dbraw/zinc/01/93/01/175019301.db2.gz YCENXNOUOHDBFD-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO C[NH+](C)CCN[C@@H](C#N)c1ccc(Cl)c(F)c1 ZINC000043390776 175033939 /nfs/dbraw/zinc/03/39/39/175033939.db2.gz KMOMTUHKBGNUNZ-LBPRGKRZSA-N 1 0 255.724 2.195 10 30 CEEERO CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C#CC[NH3+])s1 ZINC000043683980 175092451 /nfs/dbraw/zinc/09/24/51/175092451.db2.gz IEEANJQYYGGUBS-STQMWFEESA-N 1 0 278.421 2.058 10 30 CEEERO C[C@H](CC[NH+](C)C)NC(=O)C1(C#N)CCCCCC1 ZINC000044766783 175249755 /nfs/dbraw/zinc/24/97/55/175249755.db2.gz FVXKKKFSPYUCAQ-CYBMUJFWSA-N 1 0 265.401 2.307 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000045091837 175305839 /nfs/dbraw/zinc/30/58/39/175305839.db2.gz DFNSFNSEWOSRGS-UHFFFAOYSA-N 1 0 276.355 2.254 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045307132 175355737 /nfs/dbraw/zinc/35/57/37/175355737.db2.gz NAWQVGAUMGDJCN-QLFBSQMISA-N 1 0 267.417 2.158 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCN1CCC([NH+](C)C)CC1 ZINC000045311120 175356728 /nfs/dbraw/zinc/35/67/28/175356728.db2.gz HXHVKRBLAUARHQ-MRXNPFEDSA-N 1 0 280.460 2.073 10 30 CEEERO COC[C@H](C)[N@H+](C)CCC[C@](C)(C#N)NC(C)C ZINC000045314614 175357061 /nfs/dbraw/zinc/35/70/61/175357061.db2.gz UNRLUINDUSPXIC-UONOGXRCSA-N 1 0 255.406 2.014 10 30 CEEERO CN[C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045314379 175357458 /nfs/dbraw/zinc/35/74/58/175357458.db2.gz IXLOOVQQCWPYOH-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC ZINC000045314654 175357483 /nfs/dbraw/zinc/35/74/83/175357483.db2.gz XTZUTUYLAVAMTF-LSDHHAIUSA-N 1 0 269.433 2.405 10 30 CEEERO COCCC[N@H+](CCC[C@](C)(C#N)NC(C)C)CCOC ZINC000045317030 175357849 /nfs/dbraw/zinc/35/78/49/175357849.db2.gz WLBHOXDDTXGJRU-MRXNPFEDSA-N 1 0 299.459 2.032 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[N@H+](CC)CCOC ZINC000045316923 175357923 /nfs/dbraw/zinc/35/79/23/175357923.db2.gz JCXJCFPJEUOKGW-OAHLLOKOSA-N 1 0 269.433 2.407 10 30 CEEERO CN(Cc1ccc(C#N)cc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071189106 176064715 /nfs/dbraw/zinc/06/47/15/176064715.db2.gz GNKWPCOOUAQLQC-ZDUSSCGKSA-N 1 0 261.344 2.081 10 30 CEEERO COCCN(CCC#N)[C@H](c1ccc(C)s1)[C@H](C)[NH3+] ZINC000071222040 176087831 /nfs/dbraw/zinc/08/78/31/176087831.db2.gz XJVIWTSPNUTNPA-JSGCOSHPSA-N 1 0 281.425 2.307 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccc(Cl)o2)s1 ZINC000071322853 176123203 /nfs/dbraw/zinc/12/32/03/176123203.db2.gz HDTQOEXYYRBCNB-UHFFFAOYSA-N 1 0 294.763 2.235 10 30 CEEERO CCC(CC)C(=O)NCc1ccc(C#CC[NH3+])s1 ZINC000071322962 176123397 /nfs/dbraw/zinc/12/33/97/176123397.db2.gz GZBBLTZVKCOSBO-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO C[NH2+]C[C@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386130 176147450 /nfs/dbraw/zinc/14/74/50/176147450.db2.gz MEOXFFWNDFXOMU-GFCCVEGCSA-N 1 0 266.348 2.152 10 30 CEEERO N#Cc1cc2ccccc2nc1OC[C@H]1CCC[NH2+]C1 ZINC000071386342 176147952 /nfs/dbraw/zinc/14/79/52/176147952.db2.gz SPRJKBCIXBTOFN-LBPRGKRZSA-N 1 0 267.332 2.485 10 30 CEEERO N#Cc1cc2ccccc2nc1O[C@@H]1CCC[NH2+]C1 ZINC000071386333 176148083 /nfs/dbraw/zinc/14/80/83/176148083.db2.gz BOHFRPVOXDBQEQ-CYBMUJFWSA-N 1 0 253.305 2.237 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400804 176153012 /nfs/dbraw/zinc/15/30/12/176153012.db2.gz USGFRLHKXHEEDU-UKRRQHHQSA-N 1 0 273.380 2.475 10 30 CEEERO N#C[C@H]1CCC[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401507 176153753 /nfs/dbraw/zinc/15/37/53/176153753.db2.gz QSAOQUHLHGILFD-RBSFLKMASA-N 1 0 271.364 2.275 10 30 CEEERO CC[C@H](CC#N)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401448 176153986 /nfs/dbraw/zinc/15/39/86/176153986.db2.gz WYIXBXJOAIQPBL-KGLIPLIRSA-N 1 0 259.353 2.275 10 30 CEEERO C[NH+](C)CCN1C(=O)c2c(cccc2C(F)(F)F)C1C#N ZINC000071681113 176245591 /nfs/dbraw/zinc/24/55/91/176245591.db2.gz MRADQLWNBOBATD-NSHDSACASA-N 1 0 297.280 2.287 10 30 CEEERO CCC[C@H](CC[NH3+])CCC(=O)N(CCC#N)C1CC1 ZINC000079239107 177453562 /nfs/dbraw/zinc/45/35/62/177453562.db2.gz VBBWLSPVONZMNX-ZDUSSCGKSA-N 1 0 265.401 2.436 10 30 CEEERO C[C@H](C#N)CN(C)C(=O)CC[C@H](CC[NH3+])C(C)(C)C ZINC000079291314 177464877 /nfs/dbraw/zinc/46/48/77/177464877.db2.gz UTORJXYZBDFWKE-CHWSQXEVSA-N 1 0 267.417 2.396 10 30 CEEERO C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCS[C@@H](C)C1 ZINC000171700306 335075070 /nfs/dbraw/zinc/07/50/70/335075070.db2.gz SFZFMTKJIMLORQ-STQMWFEESA-N 1 0 295.452 2.155 10 30 CEEERO Cn1cc(-c2cccc(CNC(=[NH2+])NCC3CCC3)c2)cn1 ZINC000134545013 264512111 /nfs/dbraw/zinc/51/21/11/264512111.db2.gz PXLIKNNDHFVFJA-UHFFFAOYSA-N 1 0 297.406 2.292 10 30 CEEERO C[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1[NH+](C)C ZINC000251760467 274360684 /nfs/dbraw/zinc/36/06/84/274360684.db2.gz LUOPKYDBXWWLAU-NOZJJQNGSA-N 1 0 265.307 2.223 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000096537355 274374515 /nfs/dbraw/zinc/37/45/15/274374515.db2.gz OYDCXCHXAJWDBL-BXUZGUMPSA-N 1 0 286.335 2.139 10 30 CEEERO N#Cc1cc(N2CCC[NH2+]CC2)ccc1C(F)(F)F ZINC000163838628 274920008 /nfs/dbraw/zinc/92/00/08/274920008.db2.gz WPTGJAXNJSVEFV-UHFFFAOYSA-N 1 0 269.270 2.377 10 30 CEEERO C[C@H]1CCN(c2nccc(C#N)c2Cl)C[C@H]1C[NH3+] ZINC000261592529 278371044 /nfs/dbraw/zinc/37/10/44/278371044.db2.gz YOQNZWFLJVBLPX-GXSJLCMTSA-N 1 0 264.760 2.028 10 30 CEEERO C[C@H](CC[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000311066503 279262497 /nfs/dbraw/zinc/26/24/97/279262497.db2.gz CHBLTWYXMSGQMW-SSDOTTSWSA-N 1 0 258.247 2.121 10 30 CEEERO N#Cc1cccc(N2CCC[C@H](CC[NH3+])C2)c1[N+](=O)[O-] ZINC000126634105 279533938 /nfs/dbraw/zinc/53/39/38/279533938.db2.gz AXAAWCZTXOHWTC-LLVKDONJSA-N 1 0 274.324 2.032 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000177703707 329189447 /nfs/dbraw/zinc/18/94/47/329189447.db2.gz UYUATFTVFYXVOS-HOTGVXAUSA-N 1 0 295.471 2.216 10 30 CEEERO C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)[C@H](C)[NH3+] ZINC000381859162 321837234 /nfs/dbraw/zinc/83/72/34/321837234.db2.gz ZYLVHIVNMULLGN-NKWVEPMBSA-N 1 0 258.247 2.120 10 30 CEEERO CCn1cnnc1[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000173877859 329153452 /nfs/dbraw/zinc/15/34/52/329153452.db2.gz NEBYWTLTOLFRJN-ZDUSSCGKSA-N 1 0 293.440 2.124 10 30 CEEERO Cc1cccnc1C(C)(C)CNC(=[NH2+])Nc1ccccn1 ZINC000262335472 330006495 /nfs/dbraw/zinc/00/64/95/330006495.db2.gz VXDXVISIBFYGPE-UHFFFAOYSA-N 1 0 283.379 2.489 10 30 CEEERO CN(C)C(=[NH+][C@H]1C[C@H]1c1c(F)cccc1F)N(C)C ZINC000262550702 330020732 /nfs/dbraw/zinc/02/07/32/330020732.db2.gz YCVXYBQPEHWVDB-SKDRFNHKSA-N 1 0 267.323 2.300 10 30 CEEERO C[NH+]=C(NC1CC1)N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000262638905 330023997 /nfs/dbraw/zinc/02/39/97/330023997.db2.gz GWEUBNWLVNLDPU-ZBFHGGJFSA-N 1 0 273.380 2.053 10 30 CEEERO CC(C)c1nnc(CCNC(=[NH2+])Nc2ccccn2)s1 ZINC000262712256 330028271 /nfs/dbraw/zinc/02/82/71/330028271.db2.gz PXIWTFTXRDBNDL-UHFFFAOYSA-N 1 0 290.396 2.026 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@H](CC(C)C)C1 ZINC000262810491 330033221 /nfs/dbraw/zinc/03/32/21/330033221.db2.gz VAYLBJAFPREGNN-ILXRZTDVSA-N 1 0 281.444 2.091 10 30 CEEERO [NH2+]=C(NC[C@@H]1CC12CC2)Nc1ccc2c(c1)OCCCO2 ZINC000263148336 330045829 /nfs/dbraw/zinc/04/58/29/330045829.db2.gz PDNHSYLOGNGKJV-NSHDSACASA-N 1 0 287.363 2.375 10 30 CEEERO Cc1ccccc1[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424071255 330220052 /nfs/dbraw/zinc/22/00/52/330220052.db2.gz ZANWHDITNKZRDT-GXTWGEPZSA-N 1 0 259.353 2.193 10 30 CEEERO C#CCCOc1c(C[NH2+]CCOC)cccc1OCC ZINC000062732786 518251424 /nfs/dbraw/zinc/25/14/24/518251424.db2.gz PWJSDXPXCYKVIP-UHFFFAOYSA-N 1 0 277.364 2.223 10 30 CEEERO C=C(Cl)COc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000062734003 518651048 /nfs/dbraw/zinc/65/10/48/518651048.db2.gz SKLXKUYCHQMZIA-UHFFFAOYSA-N 1 0 299.754 2.283 10 30 CEEERO C=C[C@@H](C)Oc1cc(C[NH2+]CCOC)ccc1OC ZINC000062732643 519292928 /nfs/dbraw/zinc/29/29/28/519292928.db2.gz CHDATXWMHOIHOK-GFCCVEGCSA-N 1 0 265.353 2.385 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](CCCOC)CCOC ZINC000068612867 520032210 /nfs/dbraw/zinc/03/22/10/520032210.db2.gz PKDPZKOXSBVOII-HZPDHXFCSA-N 1 0 299.459 2.032 10 30 CEEERO CCN[C@@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070133 520127824 /nfs/dbraw/zinc/12/78/24/520127824.db2.gz WUKWMPFDRZWXCX-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CC)C1CCCCC1 ZINC000052339706 518281985 /nfs/dbraw/zinc/28/19/85/518281985.db2.gz GPDQVAFFFCCAOH-TZMCWYRMSA-N 1 0 250.386 2.073 10 30 CEEERO CC(C)(C)CC(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586319 518623863 /nfs/dbraw/zinc/62/38/63/518623863.db2.gz WHTLQMJQEQOIAW-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CC(C)(C)[NH2+]Cc1cc(F)ccc1-n1cnc(C#N)n1 ZINC000062739008 518764846 /nfs/dbraw/zinc/76/48/46/518764846.db2.gz AKRBSTSMPMAZST-UHFFFAOYSA-N 1 0 273.315 2.166 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652804 519735644 /nfs/dbraw/zinc/73/56/44/519735644.db2.gz KFYZUGDUQQGQAG-IAGOWNOFSA-N 1 0 294.487 2.463 10 30 CEEERO CC(C)N[C@H](C#N)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000062435598 519738002 /nfs/dbraw/zinc/73/80/02/519738002.db2.gz RSUOFLPWSVFYMH-INIZCTEOSA-N 1 0 292.471 2.217 10 30 CEEERO CC(C)c1nccn1CCOc1cccc(C#CC[NH3+])c1 ZINC000049610134 519879461 /nfs/dbraw/zinc/87/94/61/519879461.db2.gz OEDWFUNKGBXQKU-UHFFFAOYSA-N 1 0 283.375 2.396 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616494 520032883 /nfs/dbraw/zinc/03/28/83/520032883.db2.gz ZSEPJFLSRDIDDK-HRCADAONSA-N 1 0 281.444 2.405 10 30 CEEERO CCC[C@@]1(C(=O)Nc2ccc(CC#N)cc2)CC[NH2+]C1 ZINC000062893040 520944253 /nfs/dbraw/zinc/94/42/53/520944253.db2.gz PGLQHUFGYXCPNX-MRXNPFEDSA-N 1 0 271.364 2.471 10 30 CEEERO CCN1CCC([N@H+](C)[C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068612946 521566925 /nfs/dbraw/zinc/56/69/25/521566925.db2.gz ICBWIZLKTWJZPB-RDJZCZTQSA-N 1 0 294.487 2.461 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C#N)cc(C)n1 ZINC000161090903 521653855 /nfs/dbraw/zinc/65/38/55/521653855.db2.gz UJTSJGNYKVOKLS-AWEZNQCLSA-N 1 0 258.369 2.182 10 30 CEEERO CN(C)C[C@H]1CCC[N@@H+]1CCCOc1ccccc1C#N ZINC000061644209 521868090 /nfs/dbraw/zinc/86/80/90/521868090.db2.gz YKKQKNDGUSDLMS-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO CC[C@@H]1CCC[N@@H+]1Cc1cc(C#CCO)ccc1OC ZINC000049615141 523269016 /nfs/dbraw/zinc/26/90/16/523269016.db2.gz FWDRSUAHZVOMFE-MRXNPFEDSA-N 1 0 273.376 2.413 10 30 CEEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)C1CCCC1 ZINC000049586835 523357525 /nfs/dbraw/zinc/35/75/25/523357525.db2.gz PAYYIWWCFVDNJZ-UHFFFAOYSA-N 1 0 270.376 2.145 10 30 CEEERO COc1ccc(C#CCCO)cc1C[NH+]1CCCC1 ZINC000049615574 523510973 /nfs/dbraw/zinc/51/09/73/523510973.db2.gz ALTYOVRCVKDWRE-UHFFFAOYSA-N 1 0 259.349 2.025 10 30 CEEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049614666 523518497 /nfs/dbraw/zinc/51/84/97/523518497.db2.gz HELKCHIDCVASGJ-CRAIPNDOSA-N 1 0 287.403 2.420 10 30 CEEERO CC[C@@]1(C(=O)Nc2cc(C#N)ccc2C)CC[NH2+]C1 ZINC000062903397 523696548 /nfs/dbraw/zinc/69/65/48/523696548.db2.gz QLKGXLNNPMCQFJ-OAHLLOKOSA-N 1 0 257.337 2.195 10 30 CEEERO COCC[NH2+]Cc1cc(Cl)ccc1O[C@H](C)C#N ZINC000062731117 523949168 /nfs/dbraw/zinc/94/91/68/523949168.db2.gz XNTWLZOWBKJAEC-SNVBAGLBSA-N 1 0 268.744 2.367 10 30 CEEERO COCC[NH2+]Cc1cccc(Br)c1OCC#N ZINC000062733797 523954907 /nfs/dbraw/zinc/95/49/07/523954907.db2.gz QBMPGSVUJYVHHR-UHFFFAOYSA-N 1 0 299.168 2.087 10 30 CEEERO COc1ccc(C[N@H+](C)C2CCCC2)cc1C#CCO ZINC000049617543 524002689 /nfs/dbraw/zinc/00/26/89/524002689.db2.gz UUFFMLQZKVSVON-UHFFFAOYSA-N 1 0 273.376 2.413 10 30 CEEERO C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3CC[NH2+]C3)sc2C1 ZINC000062116215 524432522 /nfs/dbraw/zinc/43/25/22/524432522.db2.gz LFPRZODAKRULCR-UWVGGRQHSA-N 1 0 289.404 2.293 10 30 CEEERO C[C@H]([NH3+])[C@H](N(C)c1ccc(C#N)cc1)C(F)(F)F ZINC000061950000 524851181 /nfs/dbraw/zinc/85/11/81/524851181.db2.gz QVVGQYRWJFXBJG-KWQFWETISA-N 1 0 257.259 2.273 10 30 CEEERO C[C@H]1C[C@H]1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692000 524949334 /nfs/dbraw/zinc/94/93/34/524949334.db2.gz BMNSUOAGZKCHQG-GXSJLCMTSA-N 1 0 262.740 2.245 10 30 CEEERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)c1ccc(C#N)cc1 ZINC000061949867 525017822 /nfs/dbraw/zinc/01/78/22/525017822.db2.gz UJQNNWUQFZJWPA-MLGOLLRUSA-N 1 0 266.348 2.478 10 30 CEEERO C[C@@H](NC(=O)Cc1ccsc1)c1cccc(C#CC[NH3+])c1 ZINC000049587099 525140566 /nfs/dbraw/zinc/14/05/66/525140566.db2.gz ASBWSZYOZQGISB-CYBMUJFWSA-N 1 0 298.411 2.478 10 30 CEEERO C[C@@H](NC(=O)NC(C)(C)C)c1ccc(C#CC[NH3+])cc1 ZINC000049587417 525186673 /nfs/dbraw/zinc/18/66/73/525186673.db2.gz NKNJUWMQOHCRFH-GFCCVEGCSA-N 1 0 273.380 2.156 10 30 CEEERO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000183126423 525345049 /nfs/dbraw/zinc/34/50/49/525345049.db2.gz QSWXQMXSZVJINL-BBRMVZONSA-N 1 0 274.364 2.484 10 30 CEEERO C[C@@H](NC(=O)c1ccccc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586721 525350374 /nfs/dbraw/zinc/35/03/74/525350374.db2.gz UWYKZMNWQHWXMX-CQSZACIVSA-N 1 0 278.355 2.488 10 30 CEEERO C[C@@H](NC(=O)c1cncc(C#CC[NH3+])c1)C1CCCCC1 ZINC000052344714 525373037 /nfs/dbraw/zinc/37/30/37/525373037.db2.gz PJPOGLFXSKDOAL-CYBMUJFWSA-N 1 0 285.391 2.090 10 30 CEEERO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000183126479 525441927 /nfs/dbraw/zinc/44/19/27/525441927.db2.gz QSWXQMXSZVJINL-CZUORRHYSA-N 1 0 274.364 2.484 10 30 CEEERO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000050163696 525712484 /nfs/dbraw/zinc/71/24/84/525712484.db2.gz OLJLGIJGKHWELZ-MNOVXSKESA-N 1 0 274.324 2.266 10 30 CEEERO Cc1ccc(C(=O)N[C@@H](C)c2cccc(C#CC[NH3+])c2)o1 ZINC000049587102 526195014 /nfs/dbraw/zinc/19/50/14/526195014.db2.gz RDFALDSWZFEPCM-ZDUSSCGKSA-N 1 0 282.343 2.389 10 30 CEEERO N#CCCCC[NH+]1CCN(c2ccccc2N)CC1 ZINC000049578679 526444925 /nfs/dbraw/zinc/44/49/25/526444925.db2.gz GBWHBNVUMZRHGL-UHFFFAOYSA-N 1 0 258.369 2.085 10 30 CEEERO N#CC[C@H](N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000055016012 526481738 /nfs/dbraw/zinc/48/17/38/526481738.db2.gz LPCBWFQNRIMITA-JKSUJKDBSA-N 1 0 255.365 2.325 10 30 CEEERO N#CC[C@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000055022889 526481968 /nfs/dbraw/zinc/48/19/68/526481968.db2.gz ZBSXHOBGUANFGV-JTQLQIEISA-N 1 0 271.349 2.388 10 30 CEEERO N#Cc1cc(CN2C[C@H](CC[NH3+])c3ccccc32)ccn1 ZINC000068757851 526550062 /nfs/dbraw/zinc/55/00/62/526550062.db2.gz PJVAZOPJFVOXCV-AWEZNQCLSA-N 1 0 278.359 2.406 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[NH2+]C1 ZINC000070120996 526577498 /nfs/dbraw/zinc/57/74/98/526577498.db2.gz FZMHJLIHSYFTEA-NSHDSACASA-N 1 0 260.297 2.020 10 30 CEEERO N#Cc1cc2c(nc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000051360617 526578691 /nfs/dbraw/zinc/57/86/91/526578691.db2.gz HRFRTXRPLXFWMW-HOTGVXAUSA-N 1 0 282.391 2.163 10 30 CEEERO [NH3+]CC#Cc1ccc(COC[C@H]2CCCCO2)cc1 ZINC000049610755 527150134 /nfs/dbraw/zinc/15/01/34/527150134.db2.gz STSRHHNVNLGEIB-MRXNPFEDSA-N 1 0 259.349 2.083 10 30 CEEERO [NH3+]CC#Cc1ccc(COC[C@@H]2CCCCO2)c(F)c1 ZINC000049610762 527150574 /nfs/dbraw/zinc/15/05/74/527150574.db2.gz JHQDXWBAYGQOQS-HNNXBMFYSA-N 1 0 277.339 2.222 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)C2CCCCC2)c1 ZINC000049586514 527151558 /nfs/dbraw/zinc/15/15/58/527151558.db2.gz GJJBFSUIEOKZSA-UHFFFAOYSA-N 1 0 270.376 2.193 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc(C#N)cc1 ZINC000175035537 529304950 /nfs/dbraw/zinc/30/49/50/529304950.db2.gz FOZCUOQGOCFSNO-DLBZAZTESA-N 1 0 299.418 2.496 10 30 CEEERO C[C@H]([NH3+])CN(C)c1ccc(C(F)(F)F)cc1C#N ZINC000310950394 627327174 /nfs/dbraw/zinc/32/71/74/627327174.db2.gz YXVZYXZAXCYMOY-QMMMGPOBSA-N 1 0 257.259 2.360 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000092628741 628206480 /nfs/dbraw/zinc/20/64/80/628206480.db2.gz USSVKFHPDNWJHS-SJORKVTESA-N 1 0 287.407 2.008 10 30 CEEERO CCCCCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000195240929 628529577 /nfs/dbraw/zinc/52/95/77/628529577.db2.gz WKXVDTDOPKAAIV-CQSZACIVSA-N 1 0 288.457 2.067 10 30 CEEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261561590 628938541 /nfs/dbraw/zinc/93/85/41/628938541.db2.gz FZORRTPEDFAJMZ-BIMULSAOSA-N 1 0 261.756 2.385 10 30 CEEERO N#CCOc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061892071 639727946 /nfs/dbraw/zinc/72/79/46/639727946.db2.gz VQHLRPGGDAHGFX-HIFRSBDPSA-N 1 0 255.321 2.371 10 30 CEEERO COc1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)cc1C#N ZINC000087829123 639763867 /nfs/dbraw/zinc/76/38/67/639763867.db2.gz SADJBDGTANVCPB-AWEZNQCLSA-N 1 0 272.348 2.368 10 30 CEEERO N#Cc1cc2c(nc1N1CCC[C@@H](CC[NH3+])C1)CCCC2 ZINC000070171241 641639991 /nfs/dbraw/zinc/63/99/91/641639991.db2.gz WJJNKISAGIVBMR-ZDUSSCGKSA-N 1 0 284.407 2.397 10 30 CEEERO C=C(Br)CN(CCC)[C@H]1CCC[NH2+]C1 ZINC000082501103 178065512 /nfs/dbraw/zinc/06/55/12/178065512.db2.gz JWCQGRJTMPTCBK-NSHDSACASA-N 1 0 261.207 2.359 10 30 CEEERO C=C[C@H]([NH3+])c1ccc(I)cc1 ZINC000095760648 185026251 /nfs/dbraw/zinc/02/62/51/185026251.db2.gz DAYIYYVPTQAVGB-VIFPVBQESA-N 1 0 259.090 2.477 10 30 CEEERO COCCCSCc1ccc(C#CC[NH3+])s1 ZINC000082630023 178141220 /nfs/dbraw/zinc/14/12/20/178141220.db2.gz BPQRJUWVVBNYKC-UHFFFAOYSA-N 1 0 255.408 2.328 10 30 CEEERO C=C(Br)CN1CCC[C@H](C[NH2+]C2CC2)C1 ZINC000082645995 178141434 /nfs/dbraw/zinc/14/14/34/178141434.db2.gz LXSNTFRPSMZCKL-LLVKDONJSA-N 1 0 273.218 2.359 10 30 CEEERO C#CCOc1c(Cl)cc(C[NH2+]CCOC)cc1OC ZINC000045945882 362171343 /nfs/dbraw/zinc/17/13/43/362171343.db2.gz DQRVZFBCSRMKBI-UHFFFAOYSA-N 1 0 283.755 2.097 10 30 CEEERO C#CCOc1c(Cl)cc(C[NH2+]C)cc1OCC ZINC000045945720 362171622 /nfs/dbraw/zinc/17/16/22/362171622.db2.gz PNXXLHBBBYQPSC-UHFFFAOYSA-N 1 0 253.729 2.470 10 30 CEEERO C#C[C@H]([NH2+]C)c1ccc(I)cc1 ZINC000130151126 344350661 /nfs/dbraw/zinc/35/06/61/344350661.db2.gz ZMUYCOTZOSITNZ-JTQLQIEISA-N 1 0 271.101 2.185 10 30 CEEERO CN(CCC[NH3+])c1ccc(C#N)c(C(F)(F)F)c1 ZINC000133828247 344370792 /nfs/dbraw/zinc/37/07/92/344370792.db2.gz RZKGUGXLQLKNSZ-UHFFFAOYSA-N 1 0 257.259 2.362 10 30 CEEERO C=CCOc1ccc(C[NH2+]C[C@@H]2CN(CC)CCO2)cc1 ZINC000134439703 344374304 /nfs/dbraw/zinc/37/43/04/344374304.db2.gz JISDNBQXCMXUJQ-QGZVFWFLSA-N 1 0 290.407 2.062 10 30 CEEERO N#Cc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)ccn1 ZINC000160443827 344459091 /nfs/dbraw/zinc/45/90/91/344459091.db2.gz VXXHPKXPIFZQKP-GDBMZVCRSA-N 1 0 271.364 2.080 10 30 CEEERO C=CCOc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000170867347 344491995 /nfs/dbraw/zinc/49/19/95/344491995.db2.gz FHJFDVHGRPKWSH-CQSZACIVSA-N 1 0 274.364 2.028 10 30 CEEERO C=C(Br)C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000235458282 344591032 /nfs/dbraw/zinc/59/10/32/344591032.db2.gz GGNJFNLYCNCQPL-SECBINFHSA-N 1 0 293.205 2.398 10 30 CEEERO CCC[C@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000233400735 344581502 /nfs/dbraw/zinc/58/15/02/344581502.db2.gz LCXHDMYUCXGAFO-DZGCQCFKSA-N 1 0 292.404 2.110 10 30 CEEERO Cc1ccccc1NC(=NC#N)N1CC[NH2+]C[C@@H]1C(C)C ZINC000584620662 344967203 /nfs/dbraw/zinc/96/72/03/344967203.db2.gz QODQPVSVQSPAML-OAHLLOKOSA-N 1 0 285.395 2.174 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC(OCC)CC1 ZINC000084293050 178845159 /nfs/dbraw/zinc/84/51/59/178845159.db2.gz MPDVUSYVKOVARG-UKRRQHHQSA-N 1 0 267.417 2.158 10 30 CEEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccs1 ZINC000594426978 345626400 /nfs/dbraw/zinc/62/64/00/345626400.db2.gz UDZADFUZMBVFKW-QWRGUYRKSA-N 1 0 265.382 2.337 10 30 CEEERO N#Cc1c(NC(=O)[C@H]2CCC[C@@H]2[NH3+])sc2c1CCC2 ZINC000085371702 179041816 /nfs/dbraw/zinc/04/18/16/179041816.db2.gz FHBRMDXZBLBSNI-ONGXEEELSA-N 1 0 275.377 2.174 10 30 CEEERO CCc1nnc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c(C#N)c1CC ZINC000600955227 346716302 /nfs/dbraw/zinc/71/63/02/346716302.db2.gz KQQGTYCNKYJWNO-GHMZBOCLSA-N 1 0 273.384 2.025 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2c(C#N)nnc3ccccc32)C[NH2+]1 ZINC000600955478 346716819 /nfs/dbraw/zinc/71/68/19/346716819.db2.gz NKJTUPWSNFMMRZ-GHMZBOCLSA-N 1 0 267.336 2.054 10 30 CEEERO CCc1nnc(N[C@H](C)CCC[NH3+])c(C#N)c1CC ZINC000336809856 365847189 /nfs/dbraw/zinc/84/71/89/365847189.db2.gz GIXSTBYOOSLJSL-SNVBAGLBSA-N 1 0 261.373 2.012 10 30 CEEERO N#Cc1nnc2ccccc2c1NC1(C[NH3+])CCCC1 ZINC000085920994 179200620 /nfs/dbraw/zinc/20/06/20/179200620.db2.gz XSGAPGFXCCUVFS-UHFFFAOYSA-N 1 0 267.336 2.185 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(Br)ccc1F ZINC000086139129 179236299 /nfs/dbraw/zinc/23/62/99/179236299.db2.gz RFCGRFKNFZENAL-UHFFFAOYSA-N 1 0 287.132 2.302 10 30 CEEERO N#Cc1ccccc1[C@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678768 348558232 /nfs/dbraw/zinc/55/82/32/348558232.db2.gz LVRZXVAURDPGJF-GOSISDBHSA-N 1 0 277.371 2.464 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089395045 179780143 /nfs/dbraw/zinc/78/01/43/179780143.db2.gz AOXNPLXCBSJBOO-WFASDCNBSA-N 1 0 287.363 2.293 10 30 CEEERO CC[C@H]([NH3+])CSCC(=O)Nc1oc(C)c(C)c1C#N ZINC000090356692 179975068 /nfs/dbraw/zinc/97/50/68/179975068.db2.gz MNNIEAIBORMHBC-JTQLQIEISA-N 1 0 281.381 2.177 10 30 CEEERO CC(C)C[NH2+]Cc1cccc(SCC(=O)NCC#N)c1 ZINC000090872802 180050131 /nfs/dbraw/zinc/05/01/31/180050131.db2.gz YLEBSDIBJXFVAJ-UHFFFAOYSA-N 1 0 291.420 2.164 10 30 CEEERO CC[C@@H]([NH3+])Cc1ccn(Cc2cccnc2C#N)c1 ZINC000091006330 180084676 /nfs/dbraw/zinc/08/46/76/180084676.db2.gz TZQBVROJMNVEAF-CQSZACIVSA-N 1 0 254.337 2.083 10 30 CEEERO CC(C)(C#N)CCn1cc(CC[NH3+])c2cccnc21 ZINC000091021503 180088882 /nfs/dbraw/zinc/08/88/82/180088882.db2.gz OVKHNWOXHGURLZ-UHFFFAOYSA-N 1 0 256.353 2.477 10 30 CEEERO CCN[C@@](C)(C#N)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091430062 180152985 /nfs/dbraw/zinc/15/29/85/180152985.db2.gz RDWXXWDGYAODGK-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091432261 180153916 /nfs/dbraw/zinc/15/39/16/180153916.db2.gz OKXITQNLGCZQRZ-DLBZAZTESA-N 1 0 294.487 2.463 10 30 CEEERO C[C@H]([NH2+]CC1CC(O)C1)c1ccc(OCC#N)cc1 ZINC000091524159 180178242 /nfs/dbraw/zinc/17/82/42/180178242.db2.gz DYOFDYGYIJLZQB-DCBWTQNWSA-N 1 0 260.337 2.010 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091543520 180185103 /nfs/dbraw/zinc/18/51/03/180185103.db2.gz BADVUWOTQQGUAG-KCJUWKMLSA-N 1 0 263.728 2.278 10 30 CEEERO COc1ccc(Cn2cccc2[C@@H](C)[NH3+])cc1C#N ZINC000091799810 180258776 /nfs/dbraw/zinc/25/87/76/180258776.db2.gz CUPUEKIRDQWGTL-LLVKDONJSA-N 1 0 255.321 2.436 10 30 CEEERO CCCN(c1ccnc(C#N)c1)C1CCC([NH3+])CC1 ZINC000091852705 180272765 /nfs/dbraw/zinc/27/27/65/180272765.db2.gz SPYVBCGLFUXAQI-UHFFFAOYSA-N 1 0 258.369 2.440 10 30 CEEERO Cc1ccc(OCc2ccccc2C#N)c(C[NH3+])n1 ZINC000091993593 180301060 /nfs/dbraw/zinc/30/10/60/180301060.db2.gz QLBGIYKPKDQJHK-UHFFFAOYSA-N 1 0 253.305 2.299 10 30 CEEERO Cc1ccc(OCc2ccc(C#N)cc2)c(CC[NH3+])n1 ZINC000091999731 180303687 /nfs/dbraw/zinc/30/36/87/180303687.db2.gz WDSWLYPIXAPUEX-UHFFFAOYSA-N 1 0 267.332 2.342 10 30 CEEERO C#CCOc1ccccc1CNC[C@H](C)[NH+]1CCCC1 ZINC000092022535 180308239 /nfs/dbraw/zinc/30/82/39/180308239.db2.gz SBVLZHMRHHDOHX-HNNXBMFYSA-N 1 0 272.392 2.273 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2ccc3c(c2)CCO3)c1N ZINC000106832692 186137810 /nfs/dbraw/zinc/13/78/10/186137810.db2.gz XJVBBBMDKZPYTP-UHFFFAOYSA-N 1 0 253.305 2.009 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(NC(=O)CC)ccc1Cl ZINC000092473843 180393669 /nfs/dbraw/zinc/39/36/69/180393669.db2.gz XGDNRMHKCPKSBY-UHFFFAOYSA-N 1 0 295.770 2.403 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000092473833 180393734 /nfs/dbraw/zinc/39/37/34/180393734.db2.gz HTGKYWQUBHQGBK-UHFFFAOYSA-N 1 0 288.269 2.428 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000092474599 180394231 /nfs/dbraw/zinc/39/42/31/180394231.db2.gz SKFBZNZMLRTJPT-JTQLQIEISA-N 1 0 268.307 2.260 10 30 CEEERO Cc1cc(C)cc(C[NH+]2CCN([C@@H](C)C#N)CC2)c1 ZINC000109453618 186253604 /nfs/dbraw/zinc/25/36/04/186253604.db2.gz VHIAYCOYMPPDSU-HNNXBMFYSA-N 1 0 257.381 2.333 10 30 CEEERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C#N)c2ccccc2)C1 ZINC000110250321 186288645 /nfs/dbraw/zinc/28/86/45/186288645.db2.gz FTHLJRKPCTXLFK-HOTGVXAUSA-N 1 0 285.391 2.236 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])s2)CC1 ZINC000110817736 186327503 /nfs/dbraw/zinc/32/75/03/186327503.db2.gz XGIYXHUXCLMIKE-LBPRGKRZSA-N 1 0 276.405 2.321 10 30 CEEERO N#Cc1cc(F)ccc1N1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000111027372 186346113 /nfs/dbraw/zinc/34/61/13/186346113.db2.gz TWOUVVQKNBNETQ-ZFWWWQNUSA-N 1 0 259.328 2.418 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CSc1ccncn1 ZINC000111114955 186353891 /nfs/dbraw/zinc/35/38/91/186353891.db2.gz ZSBBOZMIYHHFOL-UHFFFAOYSA-N 1 0 285.372 2.088 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCCO)CC1CCOCC1 ZINC000111168326 186364007 /nfs/dbraw/zinc/36/40/07/186364007.db2.gz XOWLZROBEXDCOX-UHFFFAOYSA-N 1 0 287.403 2.279 10 30 CEEERO CN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000111247167 186376158 /nfs/dbraw/zinc/37/61/58/186376158.db2.gz KITLNROJYXLVGN-CYBMUJFWSA-N 1 0 297.280 2.063 10 30 CEEERO CCC(CC)(C[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000111833036 186462290 /nfs/dbraw/zinc/46/22/90/186462290.db2.gz KOGPZFHJPTUIDO-UHFFFAOYSA-N 1 0 262.313 2.396 10 30 CEEERO CC#CCCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000156940309 188288835 /nfs/dbraw/zinc/28/88/35/188288835.db2.gz IBJCUKWUPFYMSO-SWLSCSKDSA-N 1 0 265.303 2.486 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133663894 366245563 /nfs/dbraw/zinc/24/55/63/366245563.db2.gz RPNRQAIHWCSTDL-JTQLQIEISA-N 1 0 265.307 2.272 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000150727338 366594066 /nfs/dbraw/zinc/59/40/66/366594066.db2.gz NRBNRRYFXHWJIU-INIZCTEOSA-N 1 0 294.439 2.324 10 30 CEEERO C[NH+]=C(NCCCCC1CCCC1)NCc1noc(C)n1 ZINC000097014059 364427771 /nfs/dbraw/zinc/42/77/71/364427771.db2.gz CAPUMFOXUQRTOG-UHFFFAOYSA-N 1 0 293.415 2.404 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152277578 260640518 /nfs/dbraw/zinc/64/05/18/260640518.db2.gz IXUWWOTUJHVXPQ-AWEZNQCLSA-N 1 0 277.393 2.182 10 30 CEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000114215860 364932357 /nfs/dbraw/zinc/93/23/57/364932357.db2.gz PTFMXHJGQDQHHM-CVEARBPZSA-N 1 0 259.349 2.092 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)cn1 ZINC000116313328 365049374 /nfs/dbraw/zinc/04/93/74/365049374.db2.gz LHZHNDDIXQDQCR-OAHLLOKOSA-N 1 0 266.348 2.281 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)cn1 ZINC000116310524 365049577 /nfs/dbraw/zinc/04/95/77/365049577.db2.gz YDDORAGTMZGAJD-ZDUSSCGKSA-N 1 0 284.338 2.420 10 30 CEEERO C=CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000116855372 365073680 /nfs/dbraw/zinc/07/36/80/365073680.db2.gz RFGQVRWKAYEUSO-HIFRSBDPSA-N 1 0 260.381 2.240 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000638875279 370812867 /nfs/dbraw/zinc/81/28/67/370812867.db2.gz RECCCSNCJFVSOI-OLZOCXBDSA-N 1 0 252.402 2.483 10 30 CEEERO C#CCCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245710772 370861694 /nfs/dbraw/zinc/86/16/94/370861694.db2.gz FXDWMCUAQHTRCH-KRWDZBQOSA-N 1 0 284.403 2.369 10 30 CEEERO CCOCCN1CC[N@H+](CC(C)(C)CCC#N)C[C@H]1C ZINC000245734479 370867011 /nfs/dbraw/zinc/86/70/11/370867011.db2.gz KKVBEPRKYKOMEQ-OAHLLOKOSA-N 1 0 281.444 2.359 10 30 CEEERO Clc1cccc(C#CCN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000178974987 368318098 /nfs/dbraw/zinc/31/80/98/368318098.db2.gz JNYUUPAMANONGL-MRXNPFEDSA-N 1 0 274.795 2.472 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2C)C1 ZINC000178554378 368303353 /nfs/dbraw/zinc/30/33/53/368303353.db2.gz RPZWNDZIEGHRPY-CQSZACIVSA-N 1 0 286.379 2.473 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246189227 370924050 /nfs/dbraw/zinc/92/40/50/370924050.db2.gz VZRKUHLUWJTDSJ-QWHCGFSZSA-N 1 0 270.442 2.237 10 30 CEEERO CCc1nnc(N[C@@H]2CCC[NH2+][C@@H]2C)c(C#N)c1CC ZINC000229605401 370428477 /nfs/dbraw/zinc/42/84/77/370428477.db2.gz VGRNLZZHQOPCLP-QMTHXVAHSA-N 1 0 273.384 2.025 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000247076778 371061467 /nfs/dbraw/zinc/06/14/67/371061467.db2.gz YXQCCJKVEBRNBH-CVEARBPZSA-N 1 0 283.375 2.257 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000247502565 371116687 /nfs/dbraw/zinc/11/66/87/371116687.db2.gz VEPDWNHMWJMJPH-WFASDCNBSA-N 1 0 273.355 2.366 10 30 CEEERO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248628185 371226302 /nfs/dbraw/zinc/22/63/02/371226302.db2.gz VPXVKPASYCTIFE-MELADBBJSA-N 1 0 278.396 2.245 10 30 CEEERO CCc1nnc(N[C@@H]2CC[C@H](C[NH3+])C2)c(C#N)c1CC ZINC000382475874 375188059 /nfs/dbraw/zinc/18/80/59/375188059.db2.gz SUKONYGIUHYINE-WDEREUQCSA-N 1 0 273.384 2.012 10 30 CEEERO [NH3+]CC#Cc1cc(C(=O)N2CCCCCC2)cs1 ZINC000093975590 184747382 /nfs/dbraw/zinc/74/73/82/184747382.db2.gz LRWCAIRADFRPSD-UHFFFAOYSA-N 1 0 262.378 2.075 10 30 CEEERO C[C@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1[NH+](C)C ZINC000251906426 131131330 /nfs/dbraw/zinc/13/13/30/131131330.db2.gz WUZUQGZEDNYSGC-XHDPSFHLSA-N 1 0 261.344 2.079 10 30 CEEERO C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@H]1[NH+](C)C ZINC000251906063 131131756 /nfs/dbraw/zinc/13/17/56/131131756.db2.gz WUZUQGZEDNYSGC-IAQYHMDHSA-N 1 0 261.344 2.079 10 30 CEEERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H](C)[NH2+]1 ZINC000094336446 135086584 /nfs/dbraw/zinc/08/65/84/135086584.db2.gz KZLWRAFEWYUUDS-IUCAKERBSA-N 1 0 284.285 2.159 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000043409849 394504601 /nfs/dbraw/zinc/50/46/01/394504601.db2.gz JCLACQFAMFTAGT-ZDUSSCGKSA-N 1 0 284.407 2.268 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000070174865 394586049 /nfs/dbraw/zinc/58/60/49/394586049.db2.gz WFLBZRHGCLGBBI-JQWIXIFHSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246998702 394524851 /nfs/dbraw/zinc/52/48/51/394524851.db2.gz NTHJACGEFARTGW-AWEZNQCLSA-N 1 0 278.359 2.391 10 30 CEEERO CCC#CC[N@@H+]1CCC[C@@]2(CCC(=O)N(CC)C2)C1 ZINC000091655876 394658187 /nfs/dbraw/zinc/65/81/87/394658187.db2.gz VOTCORJMVZRSKB-MRXNPFEDSA-N 1 0 262.397 2.124 10 30 CEEERO Cc1nc(N2CCC[C@H](C)[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261658543 394605051 /nfs/dbraw/zinc/60/50/51/394605051.db2.gz YVRSBZVSUKKZSO-ZANVPECISA-N 1 0 278.787 2.479 10 30 CEEERO CCOCCN1CC[N@H+](CCCCC#N)C[C@H]1CC ZINC000105838579 394722892 /nfs/dbraw/zinc/72/28/92/394722892.db2.gz IMIFOLYAQSYJDA-OAHLLOKOSA-N 1 0 267.417 2.113 10 30 CEEERO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000359669638 394769847 /nfs/dbraw/zinc/76/98/47/394769847.db2.gz GCQRTUASIOVTPV-GJZGRUSLSA-N 1 0 271.364 2.170 10 30 CEEERO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000188305967 395314173 /nfs/dbraw/zinc/31/41/73/395314173.db2.gz DEKCTPHWDGVODO-WBMJQRKESA-N 1 0 271.364 2.220 10 30 CEEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000533540460 395462588 /nfs/dbraw/zinc/46/25/88/395462588.db2.gz SDVNPVVLRDZNCO-ZFWWWQNUSA-N 1 0 269.348 2.371 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1cccc(Br)c1C#N ZINC000169106199 165034999 /nfs/dbraw/zinc/03/49/99/165034999.db2.gz KQEYNDVRSWRJSJ-VHSXEESVSA-N 1 0 294.196 2.494 10 30 CEEERO N#Cc1ccc(N2CC[C@H](C[NH3+])C2)c(Br)c1 ZINC000169222776 165035581 /nfs/dbraw/zinc/03/55/81/165035581.db2.gz MUFFXBCAJODRNJ-SNVBAGLBSA-N 1 0 280.169 2.106 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020317123 171147689 /nfs/dbraw/zinc/14/76/89/171147689.db2.gz VXOHSMZEEIFBNF-SNVBAGLBSA-N 1 0 286.297 2.486 10 30 CEEERO Cc1cc(C)nc(NC(=[NH2+])NCCc2ccc(F)cc2)n1 ZINC000020353379 171156942 /nfs/dbraw/zinc/15/69/42/171156942.db2.gz WVEVLFXVDABWEE-UHFFFAOYSA-N 1 0 287.342 2.011 10 30 CEEERO CN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000035174436 172027649 /nfs/dbraw/zinc/02/76/49/172027649.db2.gz NFSFYRRRFMJFJX-KBPBESRZSA-N 1 0 263.385 2.013 10 30 CEEERO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1ccccc1C#N ZINC000035207504 172051535 /nfs/dbraw/zinc/05/15/35/172051535.db2.gz XCMKNOWHWVFKSG-LLVKDONJSA-N 1 0 257.337 2.227 10 30 CEEERO N#Cc1c(NC(=O)C2CCC2)sc2c1CC[NH2+]C2 ZINC000035248165 172078708 /nfs/dbraw/zinc/07/87/08/172078708.db2.gz CMXLUMJQMVPRJG-UHFFFAOYSA-N 1 0 261.350 2.004 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NCCC[NH2+]C1CC1 ZINC000036269412 172564348 /nfs/dbraw/zinc/56/43/48/172564348.db2.gz WSCIOCVSSYCASG-UHFFFAOYSA-N 1 0 260.297 2.020 10 30 CEEERO CC1([NH2+]C[C@@H](O)COc2cccc(C#N)c2)CCCC1 ZINC000042186248 174652929 /nfs/dbraw/zinc/65/29/29/174652929.db2.gz MCNOFMBRTNPLRB-CQSZACIVSA-N 1 0 274.364 2.220 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000657911402 415123055 /nfs/dbraw/zinc/12/30/55/415123055.db2.gz DRZDGKWQEPNDIC-KFWWJZLASA-N 1 0 252.402 2.042 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)s1)N(CC#N)CC#N ZINC000043239425 174988437 /nfs/dbraw/zinc/98/84/37/174988437.db2.gz IAGIMIUHTDOSBT-YPMHNXCESA-N 1 0 262.382 2.184 10 30 CEEERO CN(CCC#N)[C@H](C[NH3+])c1ccc(Br)s1 ZINC000043259237 174995365 /nfs/dbraw/zinc/99/53/65/174995365.db2.gz IWQAZXACRFGGRG-MRVPVSSYSA-N 1 0 288.214 2.356 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CCC#N)C(C)C ZINC000043340885 175014326 /nfs/dbraw/zinc/01/43/26/175014326.db2.gz UMEHYYVXAXSTBN-HIFRSBDPSA-N 1 0 260.385 2.484 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CC)C[C@@H](C)C#N ZINC000043354550 175022487 /nfs/dbraw/zinc/02/24/87/175022487.db2.gz CQBGHPCLDGEVOW-CFVMTHIKSA-N 1 0 260.385 2.342 10 30 CEEERO CC[NH+]1CCC(N(C)c2nc3c(cc2C#N)CCC3)CC1 ZINC000043407201 175037240 /nfs/dbraw/zinc/03/72/40/175037240.db2.gz MTRKNJHITBYPAG-UHFFFAOYSA-N 1 0 284.407 2.362 10 30 CEEERO CC(C)c1nccn1Cc1ccc(C#CC[NH3+])s1 ZINC000043684366 175092649 /nfs/dbraw/zinc/09/26/49/175092649.db2.gz FWGAIBPTCPVEMM-UHFFFAOYSA-N 1 0 259.378 2.427 10 30 CEEERO [NH3+]CC#Cc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043684279 175093183 /nfs/dbraw/zinc/09/31/83/175093183.db2.gz CTFOBZLMJTTZCV-HOTGVXAUSA-N 1 0 290.432 2.202 10 30 CEEERO Cn1ccnc1SCc1sccc1C#CC[NH3+] ZINC000043685518 175094037 /nfs/dbraw/zinc/09/40/37/175094037.db2.gz IKDKUSZPWYOKJH-UHFFFAOYSA-N 1 0 263.391 2.084 10 30 CEEERO CN(Cc1cc(C#CC[NH3+])cs1)Cc1cccnc1 ZINC000043688928 175095270 /nfs/dbraw/zinc/09/52/70/175095270.db2.gz NMZJEVDNHVVNGO-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO CC(C)[C@H](C[NH+](C)C)NC(=O)C1(C#N)CCCCC1 ZINC000044766577 175249371 /nfs/dbraw/zinc/24/93/71/175249371.db2.gz SXGFANIOSBXMOU-ZDUSSCGKSA-N 1 0 265.401 2.163 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](CCOC)CC(C)C ZINC000045182033 175325280 /nfs/dbraw/zinc/32/52/80/175325280.db2.gz UDHFZCCZIRJPIY-HNNXBMFYSA-N 1 0 269.433 2.263 10 30 CEEERO CCCO[C@@H]1CCC[N@H+](CC[C@@](C)(C#N)NCC)C1 ZINC000045183283 175325317 /nfs/dbraw/zinc/32/53/17/175325317.db2.gz QLXCPTBUDBMAIX-CABCVRRESA-N 1 0 267.417 2.159 10 30 CEEERO C[C@](N)(C#N)CCCC[N@@H+]1CCc2ccccc2C1 ZINC000045307620 175355975 /nfs/dbraw/zinc/35/59/75/175355975.db2.gz APVGOMHBQJOZBU-MRXNPFEDSA-N 1 0 257.381 2.456 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000045311480 175356144 /nfs/dbraw/zinc/35/61/44/175356144.db2.gz DGVPHMHVVGFVFJ-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](C)C1CCN(CC)CC1 ZINC000045317142 175358077 /nfs/dbraw/zinc/35/80/77/175358077.db2.gz REQSUPQAXLZQMA-MRXNPFEDSA-N 1 0 280.460 2.074 10 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290.413 2.358 10 30 CEEERO CCC(C)(C)C(=O)NCc1cc(C#CC[NH3+])cs1 ZINC000071322368 176122907 /nfs/dbraw/zinc/12/29/07/176122907.db2.gz YRRLTRAJEXFUEB-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1F)[C@@H]1CC[NH2+]C1 ZINC000071331004 176124678 /nfs/dbraw/zinc/12/46/78/176124678.db2.gz NABDPZHPPGXYEV-CQSZACIVSA-N 1 0 261.344 2.271 10 30 CEEERO CCN(c1nc2ccccc2cc1C#N)[C@H]1CC[NH2+]C1 ZINC000071386138 176147634 /nfs/dbraw/zinc/14/76/34/176147634.db2.gz CNRJFBQSJPJUSJ-AWEZNQCLSA-N 1 0 266.348 2.295 10 30 CEEERO C[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000078538874 177351663 /nfs/dbraw/zinc/35/16/63/177351663.db2.gz ZQJKNRHPHZIEAI-DOMZBBRYSA-N 1 0 283.375 2.125 10 30 CEEERO C[C@H]1CCCN(C(=[NH2+])NCc2ccc(C#N)s2)C1 ZINC000263179617 267213759 /nfs/dbraw/zinc/21/37/59/267213759.db2.gz UATNGQJZYSYJKP-JTQLQIEISA-N 1 0 262.382 2.166 10 30 CEEERO Cc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)cc1C#N ZINC000261606044 274843102 /nfs/dbraw/zinc/84/31/02/274843102.db2.gz RJIDOEJIMPSLCR-NDMJEZRESA-N 1 0 276.771 2.089 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261581299 274919498 /nfs/dbraw/zinc/91/94/98/274919498.db2.gz QNOYCZSBOLPQPN-CQSZACIVSA-N 1 0 261.756 2.401 10 30 CEEERO N#Cc1nnc2ccccc2c1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262343265 274931646 /nfs/dbraw/zinc/93/16/46/274931646.db2.gz UMSUKARDUOHWDL-UBHSHLNASA-N 1 0 293.374 2.065 10 30 CEEERO CC1(C)CN(c2nc3c(cc2C#N)CCC3)CC[C@H]1[NH3+] ZINC000261774020 275851298 /nfs/dbraw/zinc/85/12/98/275851298.db2.gz OWZBETKZOPQJSR-CQSZACIVSA-N 1 0 270.380 2.006 10 30 CEEERO C[C@@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+](C)C ZINC000123988732 278798677 /nfs/dbraw/zinc/79/86/77/278798677.db2.gz LUOPKYDBXWWLAU-RNCFNFMXSA-N 1 0 265.307 2.223 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000070175097 279406586 /nfs/dbraw/zinc/40/65/86/279406586.db2.gz ROPSMJXWBWSSOX-WCQYABFASA-N 1 0 270.380 2.006 10 30 CEEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911275 329072093 /nfs/dbraw/zinc/07/20/93/329072093.db2.gz WNUMUXBBFFPNSL-KGLIPLIRSA-N 1 0 261.344 2.386 10 30 CEEERO C=CC[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177521059 329185334 /nfs/dbraw/zinc/18/53/34/329185334.db2.gz SVBQNBMELNJIMF-STQMWFEESA-N 1 0 253.390 2.077 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1CCC[C@H]([S@](=O)CC)C1 ZINC000261646993 329974430 /nfs/dbraw/zinc/97/44/30/329974430.db2.gz DSTQCNULMCOIOB-WQYVRCCXSA-N 1 0 299.484 2.030 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261700663 329978432 /nfs/dbraw/zinc/97/84/32/329978432.db2.gz GCYPTFCQPCVJKA-DGCLKSJQSA-N 1 0 267.417 2.250 10 30 CEEERO COc1cccc(NC(=[NH2+])NCc2cn3c(n2)CCCC3)c1 ZINC000262014289 329997367 /nfs/dbraw/zinc/99/73/67/329997367.db2.gz VICANZNODRXAEZ-UHFFFAOYSA-N 1 0 299.378 2.155 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2COc3ccc(F)cc32)C1 ZINC000262436563 330012823 /nfs/dbraw/zinc/01/28/23/330012823.db2.gz TYNMDQKIZJYIRO-ZWNOBZJWSA-N 1 0 277.343 2.306 10 30 CEEERO C[NH+]=C(NC(C)C)N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000262471476 330015709 /nfs/dbraw/zinc/01/57/09/330015709.db2.gz ZBIXHEZCDBVXBR-ZBFHGGJFSA-N 1 0 275.396 2.299 10 30 CEEERO [NH2+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCSCC1 ZINC000262509219 330018738 /nfs/dbraw/zinc/01/87/38/330018738.db2.gz COQZNRPCNSNDLA-JOYOIKCWSA-N 1 0 297.374 2.184 10 30 CEEERO CN(C)C(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262519205 330019271 /nfs/dbraw/zinc/01/92/71/330019271.db2.gz HSNBILLBORNWMF-XVKPBYJWSA-N 1 0 255.724 2.211 10 30 CEEERO CN(C)C(=[NH+][C@@H]1C[C@@H]1c1c(F)cccc1F)N(C)C ZINC000262550700 330020882 /nfs/dbraw/zinc/02/08/82/330020882.db2.gz YCVXYBQPEHWVDB-JOYOIKCWSA-N 1 0 267.323 2.300 10 30 CEEERO CCCOC1(CNC2=[NH+]CCN2C)CCCCC1 ZINC000262671850 330025838 /nfs/dbraw/zinc/02/58/38/330025838.db2.gz RLQBBDDWKWBXGB-UHFFFAOYSA-N 1 0 253.390 2.007 10 30 CEEERO C=CCC[C@@H](CC)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263475519 330057160 /nfs/dbraw/zinc/05/71/60/330057160.db2.gz FGAOUNBVPRQBQO-IYXRBSQSSA-N 1 0 268.401 2.258 10 30 CEEERO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263527179 330058874 /nfs/dbraw/zinc/05/88/74/330058874.db2.gz UPFSWUMCZVRKDD-IWMBGFJWSA-N 1 0 268.401 2.114 10 30 CEEERO C=C(C)COCC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186420823 333160458 /nfs/dbraw/zinc/16/04/58/333160458.db2.gz ORXTXFKXOHDSCJ-HUUCEWRRSA-N 1 0 283.412 2.143 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](CCCOC)CCOC ZINC000068612864 520103720 /nfs/dbraw/zinc/10/37/20/520103720.db2.gz PKDPZKOXSBVOII-CVEARBPZSA-N 1 0 299.459 2.032 10 30 CEEERO CC(C)C[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049617746 519708838 /nfs/dbraw/zinc/70/88/38/519708838.db2.gz ZGDOOWGCRWUXEU-UHFFFAOYSA-N 1 0 275.392 2.387 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615645 519735742 /nfs/dbraw/zinc/73/57/42/519735742.db2.gz XGKNERJIGHBFEE-GVDBMIGSSA-N 1 0 292.471 2.215 10 30 CEEERO CCCNC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692075 519886598 /nfs/dbraw/zinc/88/65/98/519886598.db2.gz MBPHTAIBCJCNDY-UHFFFAOYSA-N 1 0 265.744 2.182 10 30 CEEERO CCCN[C@H](C#N)CC[N@@H+]1CCC[C@H](OCCC)C1 ZINC000062437888 520060587 /nfs/dbraw/zinc/06/05/87/520060587.db2.gz ACTRNYVHOHSTAY-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCC[C@@H](C)C(=O)Nc1cc(C#CC[NH3+])ccc1OC ZINC000049587323 520614780 /nfs/dbraw/zinc/61/47/80/520614780.db2.gz PRCDZLLTNMSMJQ-GFCCVEGCSA-N 1 0 274.364 2.380 10 30 CEEERO CCC[C@]1(C(=O)Nc2ccccc2C#N)CC[NH2+]C1 ZINC000062889154 521300355 /nfs/dbraw/zinc/30/03/55/521300355.db2.gz LIKKUDYASMGNGI-HNNXBMFYSA-N 1 0 257.337 2.277 10 30 CEEERO CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(C#CC[NH3+])cn2)C1 ZINC000068594054 523279667 /nfs/dbraw/zinc/27/96/67/523279667.db2.gz ZTBBYTCGQXCFHH-UKRRQHHQSA-N 1 0 285.391 2.090 10 30 CEEERO C[N@H+](Cc1ccncc1)Cc1ccccc1C#CCCO ZINC000049613160 523462749 /nfs/dbraw/zinc/46/27/49/523462749.db2.gz JXYIQEZHXTWIFM-UHFFFAOYSA-N 1 0 280.371 2.448 10 30 CEEERO CC[C@@]1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC[NH2+]C1 ZINC000062892500 523695517 /nfs/dbraw/zinc/69/55/17/523695517.db2.gz GAHQDTYBSNJQES-BLLLJJGKSA-N 1 0 271.364 2.125 10 30 CEEERO COc1ccc(CC[NH3+])c(OCc2ccnc(C#N)c2)c1 ZINC000068759434 523941903 /nfs/dbraw/zinc/94/19/03/523941903.db2.gz YMENVNWUMIZSCT-UHFFFAOYSA-N 1 0 283.331 2.042 10 30 CEEERO COc1ccc(C[NH+]2CCC(C)CC2)cc1C#CCO ZINC000049615542 524023566 /nfs/dbraw/zinc/02/35/66/524023566.db2.gz DPJIXCFIDZVDQN-UHFFFAOYSA-N 1 0 273.376 2.271 10 30 CEEERO C[C@H]1CCC[N@H+](CCOc2cccc(C#CCO)c2)C1 ZINC000049616034 524093918 /nfs/dbraw/zinc/09/39/18/524093918.db2.gz GMOZBHREMLNDHV-HNNXBMFYSA-N 1 0 273.376 2.141 10 30 CEEERO C[C@H]([NH3+])CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000070317642 524832893 /nfs/dbraw/zinc/83/28/93/524832893.db2.gz JMMLBSFTWDEJKP-QMMMGPOBSA-N 1 0 263.366 2.174 10 30 CEEERO Cc1ccc(F)cc1C(=O)Nc1ncc(C#CC[NH3+])s1 ZINC000062666855 524851398 /nfs/dbraw/zinc/85/13/98/524851398.db2.gz DJICYFMJQHHXDB-UHFFFAOYSA-N 1 0 289.335 2.153 10 30 CEEERO C[C@@H]([NH3+])c1ccc(NC(=O)N(C)[C@H](C)CC#N)cc1 ZINC000063098208 525028051 /nfs/dbraw/zinc/02/80/51/525028051.db2.gz HOAWOUWVHMEIMW-GHMZBOCLSA-N 1 0 260.341 2.472 10 30 CEEERO Cc1ccccc1C(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586290 525056972 /nfs/dbraw/zinc/05/69/72/525056972.db2.gz ZRRYXFDIQCBNGK-UHFFFAOYSA-N 1 0 278.355 2.235 10 30 CEEERO Cc1ccc(OCc2ccnc(C#N)c2)c(C[NH3+])c1 ZINC000068750822 525445967 /nfs/dbraw/zinc/44/59/67/525445967.db2.gz XTQOMGUFEBEVJJ-UHFFFAOYSA-N 1 0 253.305 2.299 10 30 CEEERO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1/C(N)=N/O ZINC000050565011 525641644 /nfs/dbraw/zinc/64/16/44/525641644.db2.gz QWLFHXQNHBEIOU-NWDGAFQWSA-N 1 0 261.369 2.402 10 30 CEEERO Cc1ccc(C#N)c(N2CCC[C@@H](C[NH2+]C(C)C)C2)n1 ZINC000063140088 525991536 /nfs/dbraw/zinc/99/15/36/525991536.db2.gz QBESITNMVUCLLY-AWEZNQCLSA-N 1 0 272.396 2.476 10 30 CEEERO Cc1ccc(C(=O)N(C)Cc2cccc(C#CC[NH3+])c2)o1 ZINC000049586888 526061686 /nfs/dbraw/zinc/06/16/86/526061686.db2.gz PQSVKPKBAVSQNL-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1C#CCO ZINC000049618520 526204663 /nfs/dbraw/zinc/20/46/63/526204663.db2.gz BAEFMTBZNVFRMG-GFCCVEGCSA-N 1 0 261.340 2.400 10 30 CEEERO N#Cc1cccc(CNC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050945503 526704972 /nfs/dbraw/zinc/70/49/72/526704972.db2.gz DPPURMSGDFMKCV-OAHLLOKOSA-N 1 0 271.364 2.097 10 30 CEEERO N#Cc1ncccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000061664590 526790582 /nfs/dbraw/zinc/79/05/82/526790582.db2.gz WJWQWQOFVQACQU-UHFFFAOYSA-N 1 0 270.380 2.013 10 30 CEEERO [NH3+]CC#Cc1cc(COCC(F)(F)F)ccc1F ZINC000049610358 527147190 /nfs/dbraw/zinc/14/71/90/527147190.db2.gz HDQGAIMUZHGMIY-UHFFFAOYSA-N 1 0 261.218 2.215 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)CC[C@@H]2CCCCO2)cc1 ZINC000069399446 527151786 /nfs/dbraw/zinc/15/17/86/527151786.db2.gz IVBNSJVPQVNYGS-INIZCTEOSA-N 1 0 286.375 2.285 10 30 CEEERO Cc1ncsc1C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587230 527481119 /nfs/dbraw/zinc/48/11/19/527481119.db2.gz KGMPLOOQRYMEPJ-NSHDSACASA-N 1 0 299.399 2.253 10 30 CEEERO C[NH2+]CC1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000234355647 623873063 /nfs/dbraw/zinc/87/30/63/623873063.db2.gz KIMJBLHRSBHSTF-UHFFFAOYSA-N 1 0 270.789 2.104 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261566003 628939986 /nfs/dbraw/zinc/93/99/86/628939986.db2.gz IASGMCJQNFAVOD-AWEZNQCLSA-N 1 0 261.756 2.401 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261746791 629180238 /nfs/dbraw/zinc/18/02/38/629180238.db2.gz SUHDBMYRKVBVGF-MNOVXSKESA-N 1 0 296.296 2.160 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCS[C@@H](C(C)C)C1 ZINC000261831968 629263525 /nfs/dbraw/zinc/26/35/25/629263525.db2.gz VPJOJGVUBJIVHR-QJPTWQEYSA-N 1 0 255.431 2.044 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089105856 631168977 /nfs/dbraw/zinc/16/89/77/631168977.db2.gz JKFZVTCNEYQSSK-CABZTGNLSA-N 1 0 260.297 2.006 10 30 CEEERO CC#CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000166183951 637255011 /nfs/dbraw/zinc/25/50/11/637255011.db2.gz ANGCLYXEMVXZKM-OLZOCXBDSA-N 1 0 266.385 2.293 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089105853 640058365 /nfs/dbraw/zinc/05/83/65/640058365.db2.gz JKFZVTCNEYQSSK-BXKDBHETSA-N 1 0 260.297 2.006 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000131048605 652371910 /nfs/dbraw/zinc/37/19/10/652371910.db2.gz ILBZEQUXYCJNCX-GDLCADMTSA-N 1 0 286.335 2.030 10 30 CEEERO CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000135302275 652964554 /nfs/dbraw/zinc/96/45/54/652964554.db2.gz IZLOWAPZIZFRQM-VXGBXAGGSA-N 1 0 267.373 2.183 10 30 CEEERO C=C[C@@](C)(O)C[N@H+](CC)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036146476 361830988 /nfs/dbraw/zinc/83/09/88/361830988.db2.gz ISKZIRCXSQBNNN-DOTOQJQBSA-N 1 0 288.391 2.439 10 30 CEEERO C[C@H](C#N)Oc1ccc(Br)c(C[NH3+])c1 ZINC000127964498 344332986 /nfs/dbraw/zinc/33/29/86/344332986.db2.gz WHZNBEKJYBEGTC-SSDOTTSWSA-N 1 0 255.115 2.199 10 30 CEEERO C=CCCCN(C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000152427055 344425794 /nfs/dbraw/zinc/42/57/94/344425794.db2.gz NKBIKHHRASHTEF-ZDUSSCGKSA-N 1 0 253.390 2.078 10 30 CEEERO N#Cc1ccc(Br)cc1NCCC[NH3+] ZINC000166065935 344475462 /nfs/dbraw/zinc/47/54/62/344475462.db2.gz ZNPOXYBNTGNIAV-UHFFFAOYSA-N 1 0 254.131 2.081 10 30 CEEERO COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000166228425 344475995 /nfs/dbraw/zinc/47/59/95/344475995.db2.gz SFCNXGWEBCZXFR-OAHLLOKOSA-N 1 0 272.348 2.252 10 30 CEEERO N#Cc1ccc(N[C@@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000052093714 362464822 /nfs/dbraw/zinc/46/48/22/362464822.db2.gz QDFRUZSYEZYGNN-SNVBAGLBSA-N 1 0 255.243 2.351 10 30 CEEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccn1 ZINC000253092754 344642751 /nfs/dbraw/zinc/64/27/51/344642751.db2.gz LKOXVIRYCKWPPX-GVDBMIGSSA-N 1 0 285.391 2.469 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(F)c1 ZINC000312923096 344740284 /nfs/dbraw/zinc/74/02/84/344740284.db2.gz DAINLHJTJWAMDO-NHYWBVRUSA-N 1 0 277.318 2.402 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)CC1([NH3+])CCCC1 ZINC000084185807 178819612 /nfs/dbraw/zinc/81/96/12/178819612.db2.gz NQMSSRBXPRIRGX-UHFFFAOYSA-N 1 0 257.337 2.467 10 30 CEEERO N#Cc1ccc(NCC23CC(C2)C[NH2+]3)c(Br)c1 ZINC000596027708 345925035 /nfs/dbraw/zinc/92/50/35/345925035.db2.gz UFVVFQVFXGSOIL-UHFFFAOYSA-N 1 0 292.180 2.485 10 30 CEEERO C[C@H]1CCC[C@@H](C[NH3+])N1Cc1cc(F)ccc1C#N ZINC000085148457 178959088 /nfs/dbraw/zinc/95/90/88/178959088.db2.gz TXGQDIDSVQZVOI-NHYWBVRUSA-N 1 0 261.344 2.399 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085364273 179035321 /nfs/dbraw/zinc/03/53/21/179035321.db2.gz IWPOPBJKZSNFPQ-PWSUYJOCSA-N 1 0 261.300 2.072 10 30 CEEERO CNC(=[NH2+])Nc1cc(Br)ccc1Cl ZINC000061693533 362687711 /nfs/dbraw/zinc/68/77/11/362687711.db2.gz ZXOGYFGDWFLZEG-UHFFFAOYSA-N 1 0 262.538 2.268 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085373724 179042975 /nfs/dbraw/zinc/04/29/75/179042975.db2.gz GXIOAZXLTOYSBW-QWHCGFSZSA-N 1 0 257.337 2.323 10 30 CEEERO C#CCC[NH2+]C[C@@H]1Cc2cc(Br)ccc2O1 ZINC000085539759 179092690 /nfs/dbraw/zinc/09/26/90/179092690.db2.gz LEXAHAQASTWLOU-LBPRGKRZSA-N 1 0 280.165 2.366 10 30 CEEERO N#Cc1ccc(Cl)cc1NCC1([NH3+])CCOCC1 ZINC000600952120 346715583 /nfs/dbraw/zinc/71/55/83/346715583.db2.gz LVPSCKCVAPTYTP-UHFFFAOYSA-N 1 0 265.744 2.131 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H]1C[NH3+] ZINC000600960820 346719123 /nfs/dbraw/zinc/71/91/23/346719123.db2.gz DOIKHCZEJXDJOW-DGCLKSJQSA-N 1 0 266.348 2.137 10 30 CEEERO C[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@@H]1C[NH3+] ZINC000600961563 346720023 /nfs/dbraw/zinc/72/00/23/346720023.db2.gz SNZNYUOWAZCQLX-KOLCDFICSA-N 1 0 294.196 2.352 10 30 CEEERO Cc1nc(N2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1C#N ZINC000336816235 365859944 /nfs/dbraw/zinc/85/99/44/365859944.db2.gz LBMFYVUURQFDDN-LBPRGKRZSA-N 1 0 276.771 2.200 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127855663 136709668 /nfs/dbraw/zinc/70/96/68/136709668.db2.gz FVZPQYAWEFAXOY-GHMZBOCLSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2sccc2C#CC[NH3+])CC[C@@H]1C ZINC000086081137 179227646 /nfs/dbraw/zinc/22/76/46/179227646.db2.gz UVVLNOLUQJNRFR-DMDPSCGWSA-N 1 0 276.405 2.223 10 30 CEEERO CC(C)C[N@@H+]1CCC[C@@H]1C/N=C/c1ccc(O)c(O)c1O ZINC000129622590 365879990 /nfs/dbraw/zinc/87/99/90/365879990.db2.gz KSNNDCXHAHPFOL-QOSBVPTNSA-N 1 0 292.379 2.343 10 30 CEEERO C[C@H]([NH3+])CCC[C@H](C)C(=O)N(CCC#N)C1CC1 ZINC000087697648 179472334 /nfs/dbraw/zinc/47/23/34/179472334.db2.gz YKLJPLJGKDNREI-RYUDHWBXSA-N 1 0 251.374 2.045 10 30 CEEERO N#Cc1ccccc1[C@@H]1c2ccccc2CCN1CC[NH3+] ZINC000616678804 348558410 /nfs/dbraw/zinc/55/84/10/348558410.db2.gz LVRZXVAURDPGJF-SFHVURJKSA-N 1 0 277.371 2.464 10 30 CEEERO N#CC1CC[NH+](C[C@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893145 180055461 /nfs/dbraw/zinc/05/54/61/180055461.db2.gz JUROIOZJBMKSGL-CQSZACIVSA-N 1 0 260.312 2.365 10 30 CEEERO N#Cc1ccc(NC(=O)C[C@H]2CSCC[NH2+]2)cc1Cl ZINC000091134320 180103140 /nfs/dbraw/zinc/10/31/40/180103140.db2.gz RLYACDJGEQNENL-NSHDSACASA-N 1 0 295.795 2.245 10 30 CEEERO C[C@H]1CCC[C@@H](N(C)C(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091462044 180162516 /nfs/dbraw/zinc/16/25/16/180162516.db2.gz UDVWCARLFMYWAA-DZGCQCFKSA-N 1 0 285.391 2.043 10 30 CEEERO C[C@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1C#CC[NH3+] ZINC000091462538 180162610 /nfs/dbraw/zinc/16/26/10/180162610.db2.gz ISVLTRJOMFUMSP-XJKSGUPXSA-N 1 0 285.391 2.043 10 30 CEEERO Cc1ncccc1NC(=O)c1cccc(C#CC[NH3+])c1C ZINC000091497949 180172938 /nfs/dbraw/zinc/17/29/38/180172938.db2.gz AOWPNNHQFVMGLC-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO CCN[C@](C)(C#N)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091430060 180152755 /nfs/dbraw/zinc/15/27/55/180152755.db2.gz RDWXXWDGYAODGK-HOTGVXAUSA-N 1 0 280.460 2.074 10 30 CEEERO CCN(C(=O)C#Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000091850476 180271855 /nfs/dbraw/zinc/27/18/55/180271855.db2.gz VORHFQKVWBTKOY-UHFFFAOYSA-N 1 0 270.376 2.157 10 30 CEEERO CC1CCN(C(=O)Nc2ccc(C#CC[NH3+])cc2F)CC1 ZINC000091992435 180300497 /nfs/dbraw/zinc/30/04/97/180300497.db2.gz ZQWYZASGUWPVOL-UHFFFAOYSA-N 1 0 289.354 2.400 10 30 CEEERO COc1ccc(COc2ccc(C)nc2C[NH3+])cc1C#N ZINC000091994123 180301237 /nfs/dbraw/zinc/30/12/37/180301237.db2.gz XKUSXWBIDXTUNK-UHFFFAOYSA-N 1 0 283.331 2.308 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204414 180343793 /nfs/dbraw/zinc/34/37/93/180343793.db2.gz OQIQAPATIBURGR-HUUCEWRRSA-N 1 0 286.375 2.113 10 30 CEEERO CCc1nn(-c2cccc(C#N)c2)c(CC)c1C[NH3+] ZINC000092319884 180361936 /nfs/dbraw/zinc/36/19/36/180361936.db2.gz UEFOOIOCSABCOV-UHFFFAOYSA-N 1 0 254.337 2.327 10 30 CEEERO Cc1cc(NC(=O)c2cc(C#CC[NH3+])ccc2C)ccn1 ZINC000092365949 180369381 /nfs/dbraw/zinc/36/93/81/180369381.db2.gz PQYJMTDVCFYGOX-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(C)s1 ZINC000092474990 180393872 /nfs/dbraw/zinc/39/38/72/180393872.db2.gz REYMLXRZKYAQNS-NSHDSACASA-N 1 0 252.383 2.352 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000092474647 180393884 /nfs/dbraw/zinc/39/38/84/180393884.db2.gz YKMXRPJBWSVUPR-NSHDSACASA-N 1 0 250.317 2.121 10 30 CEEERO C=CC[NH2+]CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000092474737 180393898 /nfs/dbraw/zinc/39/38/98/180393898.db2.gz ILAZWKGUGSJBFV-MJBXVCDLSA-N 1 0 250.386 2.189 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000092474112 180394104 /nfs/dbraw/zinc/39/41/04/180394104.db2.gz OJOIJYHNDURJKC-SNVBAGLBSA-N 1 0 284.306 2.241 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000092474786 180394130 /nfs/dbraw/zinc/39/41/30/180394130.db2.gz QXTBKBFHOBEPOF-LBPRGKRZSA-N 1 0 250.367 2.187 10 30 CEEERO C[NH+](C)[C@H]1CCN(C(=O)C2(C#N)CCCCCC2)C1 ZINC000110250176 186288415 /nfs/dbraw/zinc/28/84/15/186288415.db2.gz UEGWLQKISMJJHL-ZDUSSCGKSA-N 1 0 263.385 2.013 10 30 CEEERO [NH3+]CC#Cc1cnc(NC(=O)c2ccc3cc[nH]c3c2)s1 ZINC000111289322 186390986 /nfs/dbraw/zinc/39/09/86/186390986.db2.gz IWCUYSPVEHCBRK-UHFFFAOYSA-N 1 0 296.355 2.187 10 30 CEEERO CC(=O)c1ccc(C#N)cc1N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000131318488 366041897 /nfs/dbraw/zinc/04/18/97/366041897.db2.gz CUUJKCLALITJIQ-BZNIZROVSA-N 1 0 271.364 2.147 10 30 CEEERO C#CCSCC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000152916674 188052822 /nfs/dbraw/zinc/05/28/22/188052822.db2.gz UFCPWXOBGXZFFO-UHFFFAOYSA-N 1 0 288.420 2.468 10 30 CEEERO COc1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@H]2C)cc1C#N ZINC000154103075 188123913 /nfs/dbraw/zinc/12/39/13/188123913.db2.gz CWGVKMBTPPYECI-CJNGLKHVSA-N 1 0 287.407 2.385 10 30 CEEERO N#Cc1cc(N2CCCC[C@H]2C[NH3+])nc2ccccc12 ZINC000068770898 283102860 /nfs/dbraw/zinc/10/28/60/283102860.db2.gz MGAWBXNIXZPAEO-ZDUSSCGKSA-N 1 0 266.348 2.424 10 30 CEEERO N#Cc1ccnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1Cl ZINC000261570634 283224639 /nfs/dbraw/zinc/22/46/39/283224639.db2.gz PEVFUGFHWJJLMR-SDDRHHMPSA-N 1 0 276.771 2.170 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261751953 283243333 /nfs/dbraw/zinc/24/33/33/283243333.db2.gz TYZKZQFHDAYKHH-SWLSCSKDSA-N 1 0 278.359 2.295 10 30 CEEERO CC[C@](C)(C#N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000136214432 366504033 /nfs/dbraw/zinc/50/40/33/366504033.db2.gz CHSIXIYXEILKAM-TZMCWYRMSA-N 1 0 253.390 2.019 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000150850953 366599577 /nfs/dbraw/zinc/59/95/77/366599577.db2.gz WYBMFPNZUFNVBQ-DOMZBBRYSA-N 1 0 286.379 2.408 10 30 CEEERO C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Cc1ccccc1 ZINC000008300186 361342131 /nfs/dbraw/zinc/34/21/31/361342131.db2.gz UOWRMLAMFKUVHX-YESZJQIVSA-N 1 0 284.403 2.242 10 30 CEEERO Cc1nc2n(n1)CCC[C@H]2[NH2+]CC(C)(C)CCC#N ZINC000083476046 363775862 /nfs/dbraw/zinc/77/58/62/363775862.db2.gz STLLJWPUGDHVGP-GFCCVEGCSA-N 1 0 261.373 2.341 10 30 CEEERO CC(C)[C@@](O)(C(=O)CCC#CC[NH+](C)C)c1ccccc1 ZINC000026837482 361646305 /nfs/dbraw/zinc/64/63/05/361646305.db2.gz HZNPCOWQXODWBL-SFHVURJKSA-N 1 0 287.403 2.445 10 30 CEEERO COc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1C#N ZINC000087832795 363872592 /nfs/dbraw/zinc/87/25/92/363872592.db2.gz HQSBXUHPEIZDOT-HNNXBMFYSA-N 1 0 274.364 2.304 10 30 CEEERO CC[NH2+]CCCNc1nc(C(F)(F)F)ccc1C#N ZINC000094337324 364266069 /nfs/dbraw/zinc/26/60/69/364266069.db2.gz PZBAIPXDEGIGSZ-UHFFFAOYSA-N 1 0 272.274 2.384 10 30 CEEERO C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000120378837 365415539 /nfs/dbraw/zinc/41/55/39/365415539.db2.gz BDCDIHINQZNLLN-JTQLQIEISA-N 1 0 295.770 2.002 10 30 CEEERO C#CCCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000120230946 365391800 /nfs/dbraw/zinc/39/18/00/365391800.db2.gz HTIQCGPAJMWKTO-LSDHHAIUSA-N 1 0 262.397 2.265 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000171082828 367474558 /nfs/dbraw/zinc/47/45/58/367474558.db2.gz KWPAALRCSDHGEV-CYBMUJFWSA-N 1 0 272.352 2.035 10 30 CEEERO C=CCOc1ccccc1C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867354 367436366 /nfs/dbraw/zinc/43/63/66/367436366.db2.gz LVKZDQUDQUDLTE-ZDUSSCGKSA-N 1 0 274.364 2.028 10 30 CEEERO N#Cc1cc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1F ZINC000171893932 367635200 /nfs/dbraw/zinc/63/52/00/367635200.db2.gz NJUNDFLBAUAVAP-CYBMUJFWSA-N 1 0 288.326 2.009 10 30 CEEERO CC#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248628181 371226024 /nfs/dbraw/zinc/22/60/24/371226024.db2.gz VPXVKPASYCTIFE-BFHYXJOUSA-N 1 0 278.396 2.245 10 30 CEEERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000249123738 371298072 /nfs/dbraw/zinc/29/80/72/371298072.db2.gz IFCBUVYSXAREGP-YJBOKZPZSA-N 1 0 299.418 2.019 10 30 CEEERO COCC1(CNc2ccc(F)cc2C#N)CC[NH2+]CC1 ZINC000261664997 371695331 /nfs/dbraw/zinc/69/53/31/371695331.db2.gz FNBYZLVJIJKLOH-UHFFFAOYSA-N 1 0 277.343 2.125 10 30 CEEERO CCc1nnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C#N)c1CC ZINC000262386981 371857859 /nfs/dbraw/zinc/85/78/59/371857859.db2.gz ZJDGIIMPXIXLBN-TUKIKUTGSA-N 1 0 299.422 2.037 10 30 CEEERO COc1cc(C#N)ccc1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000246062680 189923290 /nfs/dbraw/zinc/92/32/90/189923290.db2.gz YLWBUWSYKURALV-BBRMVZONSA-N 1 0 285.391 2.235 10 30 CEEERO Cc1nc(N[C@H]2CC[C@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000382465678 375187579 /nfs/dbraw/zinc/18/75/79/375187579.db2.gz LQZKXNFLFSWHME-ONGXEEELSA-N 1 0 264.760 2.454 10 30 CEEERO CNC(=O)[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)C(C)C ZINC000183687089 542294718 /nfs/dbraw/zinc/29/47/18/542294718.db2.gz ZZGXQHYCRAWRBG-CQSZACIVSA-N 1 0 278.783 2.052 10 30 CEEERO N#Cc1cc2c(nc1O[C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000093219859 184656509 /nfs/dbraw/zinc/65/65/09/184656509.db2.gz MJZBKICMOJOJDN-CHWSQXEVSA-N 1 0 257.337 2.091 10 30 CEEERO C[C@H]1CCC[C@H](C[NH3+])N1C[C@@H](C#N)c1ccccc1 ZINC000080787313 177706901 /nfs/dbraw/zinc/70/69/01/177706901.db2.gz VYLAWZIPLGMACG-NUEKZKHPSA-N 1 0 257.381 2.495 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1OC[C@H]1CCC[NH2+]C1 ZINC000094337695 184783310 /nfs/dbraw/zinc/78/33/10/184783310.db2.gz PUKPDEDUBGCHKY-VIFPVBQESA-N 1 0 285.269 2.350 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1OC1CC[NH2+]CC1 ZINC000094337659 184783317 /nfs/dbraw/zinc/78/33/17/184783317.db2.gz DWMJCJBQKVPUHB-UHFFFAOYSA-N 1 0 271.242 2.103 10 30 CEEERO CN(C(=O)[C@@H]1CCCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000094753582 184853130 /nfs/dbraw/zinc/85/31/30/184853130.db2.gz YISGFDKWLXWYFU-CABCVRRESA-N 1 0 271.364 2.429 10 30 CEEERO CC(C)C[C@H](C[NH3+])C(=O)Nc1cccc(F)c1C#N ZINC000094697250 184841665 /nfs/dbraw/zinc/84/16/65/184841665.db2.gz RHNXCXHDJLAUGQ-SNVBAGLBSA-N 1 0 263.316 2.257 10 30 CEEERO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000237987340 394493606 /nfs/dbraw/zinc/49/36/06/394493606.db2.gz ADSLMRZYASZQBZ-VXGBXAGGSA-N 1 0 264.394 2.390 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccccc1C#N ZINC000092628709 394662231 /nfs/dbraw/zinc/66/22/31/394662231.db2.gz MVCPBHJWACCJNM-INIZCTEOSA-N 1 0 257.381 2.474 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000174991060 395130187 /nfs/dbraw/zinc/13/01/87/395130187.db2.gz PXUYADNXXGKCKK-IAGOWNOFSA-N 1 0 297.402 2.451 10 30 CEEERO N#Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)ccc1F ZINC000398994656 395241198 /nfs/dbraw/zinc/24/11/98/395241198.db2.gz JMVBESIQRNBQRL-NWANDNLSSA-N 1 0 274.339 2.290 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182560719 395244920 /nfs/dbraw/zinc/24/49/20/395244920.db2.gz KRZVCQMOGCEUDM-RYUDHWBXSA-N 1 0 279.409 2.407 10 30 CEEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cccs1 ZINC000182559833 395245564 /nfs/dbraw/zinc/24/55/64/395245564.db2.gz XCCNIKDYYDEQNS-LLVKDONJSA-N 1 0 265.382 2.161 10 30 CEEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000186231840 395286671 /nfs/dbraw/zinc/28/66/71/395286671.db2.gz SAGRFEYRJFSJHD-INIZCTEOSA-N 1 0 295.390 2.370 10 30 CEEERO C=CCN(CC(F)(F)F)C(=O)C1CCC([NH3+])CC1 ZINC000648018207 395806990 /nfs/dbraw/zinc/80/69/90/395806990.db2.gz NBVTYTWMTAQRHB-UHFFFAOYSA-N 1 0 264.291 2.081 10 30 CEEERO Cc1nc(NC[C@H]2CCC[NH2+]2)c(Cl)cc1C#N ZINC000261551287 162546489 /nfs/dbraw/zinc/54/64/89/162546489.db2.gz MAIOTMWNLHBSQM-SNVBAGLBSA-N 1 0 250.733 2.079 10 30 CEEERO CN(c1ccc(C#N)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000169224863 165036408 /nfs/dbraw/zinc/03/64/08/165036408.db2.gz DFXHKDNIWUZILG-SNVBAGLBSA-N 1 0 280.169 2.119 10 30 CEEERO C[N@@H+]1CCc2nc(N)c(C#N)c(-c3cccs3)c2C1 ZINC000022000825 171348393 /nfs/dbraw/zinc/34/83/93/171348393.db2.gz FWMRNSGJVAAJKV-UHFFFAOYSA-N 1 0 270.361 2.252 10 30 CEEERO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccccc1C#N ZINC000037173177 173007096 /nfs/dbraw/zinc/00/70/96/173007096.db2.gz NYRCQTHGGIUASR-LBPRGKRZSA-N 1 0 259.353 2.475 10 30 CEEERO C#CCN1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000037217601 173035578 /nfs/dbraw/zinc/03/55/78/173035578.db2.gz HNAIECLWQJGNND-AWEZNQCLSA-N 1 0 272.392 2.443 10 30 CEEERO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037508810 173242394 /nfs/dbraw/zinc/24/23/94/173242394.db2.gz WFZXTYSKUHLHMB-FZMZJTMJSA-N 1 0 259.353 2.109 10 30 CEEERO CCN1CCC[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000040502743 174298798 /nfs/dbraw/zinc/29/87/98/174298798.db2.gz WPJDGEVNGVSHEX-HNNXBMFYSA-N 1 0 273.380 2.163 10 30 CEEERO CC(C)[N@@H+]1CC[C@@H](CNCc2ccccc2OCC#N)C1 ZINC000040622887 174355925 /nfs/dbraw/zinc/35/59/25/174355925.db2.gz UTNRYHMPLBNYAJ-HNNXBMFYSA-N 1 0 287.407 2.409 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747123 174392541 /nfs/dbraw/zinc/39/25/41/174392541.db2.gz DGNDJFBNVUYFLS-YIONKMFJSA-N 1 0 273.355 2.412 10 30 CEEERO N#Cc1ccc(NC(=O)N2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749798 174394375 /nfs/dbraw/zinc/39/43/75/174394375.db2.gz GSXRIONXAYMTBU-QXMXGUDHSA-N 1 0 270.336 2.044 10 30 CEEERO N#Cc1c2c(sc1NC(=O)C1CC[NH2+]CC1)CCC2 ZINC000040853107 174421588 /nfs/dbraw/zinc/42/15/88/174421588.db2.gz QWIHIQIOUDPXPI-UHFFFAOYSA-N 1 0 275.377 2.047 10 30 CEEERO N#Cc1cc(N)ccc1NCC[NH+]1CCCCCC1 ZINC000041021245 174451844 /nfs/dbraw/zinc/45/18/44/174451844.db2.gz JZEOMMIBNGWGNH-UHFFFAOYSA-N 1 0 258.369 2.428 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000657943150 415135128 /nfs/dbraw/zinc/13/51/28/415135128.db2.gz JIQDMNGVEUMTPF-ZBFHGGJFSA-N 1 0 266.429 2.168 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000657943147 415136577 /nfs/dbraw/zinc/13/65/77/415136577.db2.gz JIQDMNGVEUMTPF-GDBMZVCRSA-N 1 0 266.429 2.168 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccccn1)N(CCC#N)C1CC1 ZINC000043340900 175014559 /nfs/dbraw/zinc/01/45/59/175014559.db2.gz AARWTELJUDSSQS-ZFWWWQNUSA-N 1 0 258.369 2.238 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CC)C[C@@H](C)C#N ZINC000043348190 175018737 /nfs/dbraw/zinc/01/87/37/175018737.db2.gz IASLGATXUYRJQR-NWANDNLSSA-N 1 0 260.385 2.342 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CC)C[C@@H](C)C#N ZINC000043354548 175021970 /nfs/dbraw/zinc/02/19/70/175021970.db2.gz CQBGHPCLDGEVOW-NWANDNLSSA-N 1 0 260.385 2.342 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1ccc(CC#N)cc1)C(F)(F)F ZINC000043383443 175031250 /nfs/dbraw/zinc/03/12/50/175031250.db2.gz AAQKZELMCPIKKQ-KCJUWKMLSA-N 1 0 258.243 2.410 10 30 CEEERO COC1CC[NH+](Cc2ccc(C#CCCO)s2)CC1 ZINC000043679611 175090667 /nfs/dbraw/zinc/09/06/67/175090667.db2.gz NWPVHPHHXZMFIF-UHFFFAOYSA-N 1 0 279.405 2.093 10 30 CEEERO CCN(Cc1ccc(C#CC[NH3+])s1)C[C@H](C)C#N ZINC000043684142 175092809 /nfs/dbraw/zinc/09/28/09/175092809.db2.gz JVCRCORLUNWSTM-GFCCVEGCSA-N 1 0 261.394 2.040 10 30 CEEERO CC[C@H]1CO[C@H](C)CN1Cc1cc(C#CC[NH3+])cs1 ZINC000043689014 175096107 /nfs/dbraw/zinc/09/61/07/175096107.db2.gz OUECPBZJTHMKIS-OCCSQVGLSA-N 1 0 278.421 2.058 10 30 CEEERO CCO[C@H]1CCC[N@H+](Cc2cc(C#CCCO)cs2)C1 ZINC000043698669 175096627 /nfs/dbraw/zinc/09/66/27/175096627.db2.gz HXZDTAKRZJFPKL-HNNXBMFYSA-N 1 0 293.432 2.483 10 30 CEEERO CCC(C#N)(CC)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000044766582 175249437 /nfs/dbraw/zinc/24/94/37/175249437.db2.gz VXNCWIUEBJNRHN-LBPRGKRZSA-N 1 0 253.390 2.019 10 30 CEEERO CCC[C@@H](C#N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044809124 175257446 /nfs/dbraw/zinc/25/74/46/175257446.db2.gz IJFYHJMGDDIRKJ-ZDUSSCGKSA-N 1 0 253.390 2.161 10 30 CEEERO CC[NH+]1CCN(CCCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045306539 175355511 /nfs/dbraw/zinc/35/55/11/175355511.db2.gz UZNWKOSQBQSDTC-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CC[C@@H]1C[N@H+](CCC[C@@](C)(C#N)NC(C)C)CCO1 ZINC000045310738 175356563 /nfs/dbraw/zinc/35/65/63/175356563.db2.gz YJHXUJRNLDPWKH-CABCVRRESA-N 1 0 267.417 2.158 10 30 CEEERO CCN1CCC([N@H+](C)CCCC[C@](C)(C#N)NC)CC1 ZINC000045317182 175358187 /nfs/dbraw/zinc/35/81/87/175358187.db2.gz MOJKKHLLHDHKTA-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO N#CCc1ccc(N2CCC[C@@H]([NH2+]C3CC3)C2=O)cc1 ZINC000071041489 176028299 /nfs/dbraw/zinc/02/82/99/176028299.db2.gz CIYXOJDYUZOLNM-OAHLLOKOSA-N 1 0 269.348 2.000 10 30 CEEERO CCC[NH2+][C@H]1CCCN(c2cc(C#N)ccc2C)C1=O ZINC000071042235 176028760 /nfs/dbraw/zinc/02/87/60/176028760.db2.gz AIRCIVGIRZVJBW-AWEZNQCLSA-N 1 0 271.364 2.362 10 30 CEEERO CN(C[C@H]1CC[N@H+](C)C1)c1nc2c(cc1C#N)CCCC2 ZINC000071190229 176066586 /nfs/dbraw/zinc/06/65/86/176066586.db2.gz FVEMOLMZMQKRSP-ZDUSSCGKSA-N 1 0 284.407 2.220 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1cccs1)N(CCC#N)CCOC ZINC000071222520 176087994 /nfs/dbraw/zinc/08/79/94/176087994.db2.gz GCXPFHYODXMGDR-TZMCWYRMSA-N 1 0 281.425 2.389 10 30 CEEERO CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000071311767 176118777 /nfs/dbraw/zinc/11/87/77/176118777.db2.gz JZILRGGFMYOYKW-NSHDSACASA-N 1 0 269.270 2.375 10 30 CEEERO CCn1c(C[NH3+])nnc1SCc1ccc(C#N)cc1F ZINC000071374619 176139511 /nfs/dbraw/zinc/13/95/11/176139511.db2.gz OOZIHVIPYAEKSF-UHFFFAOYSA-N 1 0 291.355 2.060 10 30 CEEERO C[NH+](C)[C@@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000071390122 176148584 /nfs/dbraw/zinc/14/85/84/176148584.db2.gz MRAOSFBEZJUXAT-CQSZACIVSA-N 1 0 266.348 2.247 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]C2)C1 ZINC000662631079 415913395 /nfs/dbraw/zinc/91/33/95/415913395.db2.gz PCIIHVHZTRTXNQ-KBPBESRZSA-N 1 0 250.386 2.191 10 30 CEEERO C[N@@H+]1CC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078834508 177396275 /nfs/dbraw/zinc/39/62/75/177396275.db2.gz VMMZFZXTXHUOEU-SECBINFHSA-N 1 0 270.258 2.088 10 30 CEEERO CC1(C)CCC(NC(=O)c2ccc(C#CC[NH3+])cn2)CC1 ZINC000079696625 177538135 /nfs/dbraw/zinc/53/81/35/177538135.db2.gz PZULTMBYDAVVQX-UHFFFAOYSA-N 1 0 285.391 2.090 10 30 CEEERO C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)[C@H](C[NH3+])C1 ZINC000261575618 287601256 /nfs/dbraw/zinc/60/12/56/287601256.db2.gz ZHSUIOCBNALSEK-KOLCDFICSA-N 1 0 265.307 2.400 10 30 CEEERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000102401674 261235267 /nfs/dbraw/zinc/23/52/67/261235267.db2.gz CJABVVWGVRPZTP-CYBMUJFWSA-N 1 0 251.374 2.061 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(C#N)s2)C1 ZINC000263179618 267011923 /nfs/dbraw/zinc/01/19/23/267011923.db2.gz UATNGQJZYSYJKP-SNVBAGLBSA-N 1 0 262.382 2.166 10 30 CEEERO Cc1cc(NCC[NH2+]C2CCCCCC2)c(C#N)cn1 ZINC000399123690 267300318 /nfs/dbraw/zinc/30/03/18/267300318.db2.gz QMZWREOTLGYOJD-UHFFFAOYSA-N 1 0 272.396 2.408 10 30 CEEERO C[C@@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@H]1[NH3+] ZINC000251731139 274360527 /nfs/dbraw/zinc/36/05/27/274360527.db2.gz KHWGPQBROORQHT-BXUZGUMPSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@H]1[NH3+] ZINC000251608328 274591976 /nfs/dbraw/zinc/59/19/76/274591976.db2.gz DJJJRVXNUZNAJG-SMDDNHRTSA-N 1 0 266.348 2.280 10 30 CEEERO Cc1nc(N2CC[C@@H]([NH3+])[C@H](C)C2)c(Cl)cc1C#N ZINC000261587062 274841854 /nfs/dbraw/zinc/84/18/54/274841854.db2.gz UUMBYMZNAQHOKM-PRHODGIISA-N 1 0 264.760 2.089 10 30 CEEERO C[NH+](C)[C@@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000116942607 276837150 /nfs/dbraw/zinc/83/71/50/276837150.db2.gz PBHVELCXWBZBMW-LLVKDONJSA-N 1 0 294.196 2.461 10 30 CEEERO CC(C)[NH2+]CCCNc1nc2c(cc1C#N)CCC2 ZINC000569678327 314008268 /nfs/dbraw/zinc/00/82/68/314008268.db2.gz RBVUXRSYRQXFMM-UHFFFAOYSA-N 1 0 258.369 2.242 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H](CC[NH3+])C(F)F ZINC000383344089 321847179 /nfs/dbraw/zinc/84/71/79/321847179.db2.gz YYKDQIFVZGCKMD-SSDOTTSWSA-N 1 0 294.227 2.366 10 30 CEEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000248766460 329899012 /nfs/dbraw/zinc/89/90/12/329899012.db2.gz GZLSWPDZMOEYIW-KFWWJZLASA-N 1 0 285.395 2.117 10 30 CEEERO C=C(Cl)CNC(=[NH+]C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261661569 329975484 /nfs/dbraw/zinc/97/54/84/329975484.db2.gz FYRXKEMVMRCPHH-TXEJJXNPSA-N 1 0 255.793 2.436 10 30 CEEERO Cc1ccc(NC(=[NH2+])NCc2cnc(C)[nH]c2=O)cc1C ZINC000262219834 330001947 /nfs/dbraw/zinc/00/19/47/330001947.db2.gz KCMPXVYDKKUQIF-UHFFFAOYSA-N 1 0 285.351 2.034 10 30 CEEERO [NH2+]=C(NC[C@@H]1CCCC[C@H]1C(F)(F)F)N1CCOCC1 ZINC000262454871 330014117 /nfs/dbraw/zinc/01/41/17/330014117.db2.gz RLECMIYAJJTEMI-WDEREUQCSA-N 1 0 293.333 2.002 10 30 CEEERO CC1(C)C[C@H]1NC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262460245 330014547 /nfs/dbraw/zinc/01/45/47/330014547.db2.gz FRWGOEQIQIMLRH-DGCLKSJQSA-N 1 0 259.353 2.213 10 30 CEEERO COc1cccc(NC(=[NH2+])NCC2(C(F)F)CC2)c1 ZINC000262504719 330018358 /nfs/dbraw/zinc/01/83/58/330018358.db2.gz ZMOZINPZPXMFTI-UHFFFAOYSA-N 1 0 269.295 2.467 10 30 CEEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCC[C@H](C)C1 ZINC000262765995 330030181 /nfs/dbraw/zinc/03/01/81/330030181.db2.gz GDKYFIFWHKMXKX-AXFHLTTASA-N 1 0 295.349 2.043 10 30 CEEERO CC[C@H](C)NC(NC[C@@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262787443 330031541 /nfs/dbraw/zinc/03/15/41/330031541.db2.gz MUHJBRAVNVKSIQ-DTWKUNHWSA-N 1 0 289.832 2.398 10 30 CEEERO Cc1ccc(Cl)cc1CNC1=[NH+]CCCN1C ZINC000263104229 330043745 /nfs/dbraw/zinc/04/37/45/330043745.db2.gz KKFXKAMGVAOJKF-UHFFFAOYSA-N 1 0 251.761 2.430 10 30 CEEERO CCc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424068360 330219513 /nfs/dbraw/zinc/21/95/13/330219513.db2.gz RPFIYEAPCPAFBG-SWLSCSKDSA-N 1 0 273.380 2.447 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2ccccc21 ZINC000424078660 330221336 /nfs/dbraw/zinc/22/13/36/330221336.db2.gz QEWIISQKWDYRCI-LSDHHAIUSA-N 1 0 271.364 2.201 10 30 CEEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000089123932 330380698 /nfs/dbraw/zinc/38/06/98/330380698.db2.gz YQCSMFWMEWCTMC-XQHKEYJVSA-N 1 0 267.417 2.009 10 30 CEEERO C=CCCC[C@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181091100 335749931 /nfs/dbraw/zinc/74/99/31/335749931.db2.gz BNOZQZDYDRXRJT-STQMWFEESA-N 1 0 253.390 2.077 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000052339704 518282586 /nfs/dbraw/zinc/28/25/86/518282586.db2.gz GPDQVAFFFCCAOH-OCCSQVGLSA-N 1 0 250.386 2.073 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614937 519739425 /nfs/dbraw/zinc/73/94/25/519739425.db2.gz DMQYWLKQNAPMSZ-OAGGEKHMSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613182 520102637 /nfs/dbraw/zinc/10/26/37/520102637.db2.gz HIYBRZDEMFDZRU-RDJZCZTQSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611456 520102540 /nfs/dbraw/zinc/10/25/40/520102540.db2.gz OXPMFUUJJFWHAG-HOCLYGCPSA-N 1 0 280.460 2.073 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611451 520103531 /nfs/dbraw/zinc/10/35/31/520103531.db2.gz OXPMFUUJJFWHAG-ZBFHGGJFSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000068612308 520128433 /nfs/dbraw/zinc/12/84/33/520128433.db2.gz WPANXCUWGIYASB-HZPDHXFCSA-N 1 0 282.476 2.176 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000069461746 521294162 /nfs/dbraw/zinc/29/41/62/521294162.db2.gz YCMFECHMZHEHDB-UHFFFAOYSA-N 1 0 276.355 2.397 10 30 CEEERO C#CCCOc1ccc(Cl)cc1C[NH2+]CCOC ZINC000062731046 518252912 /nfs/dbraw/zinc/25/29/12/518252912.db2.gz FQTUDRRLAPTKDM-UHFFFAOYSA-N 1 0 267.756 2.478 10 30 CEEERO C#CCOc1cc(C[NH2+]CC(C)C)ccc1[N+](=O)[O-] ZINC000062733442 518318936 /nfs/dbraw/zinc/31/89/36/518318936.db2.gz ZGGXWCSNCXDDQQ-UHFFFAOYSA-N 1 0 262.309 2.352 10 30 CEEERO CC(C)(C)CC(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586547 518622697 /nfs/dbraw/zinc/62/26/97/518622697.db2.gz PUXAZPUPCJUUTH-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cccc2c1CC[C@H]2[NH2+]CC ZINC000062799552 518914747 /nfs/dbraw/zinc/91/47/47/518914747.db2.gz RXSAVUSCCLZDEY-IUODEOHRSA-N 1 0 288.391 2.353 10 30 CEEERO C=C[C@H](C)Oc1c(OC)cc(CC[NH3+])cc1OC ZINC000052143977 519300947 /nfs/dbraw/zinc/30/09/47/519300947.db2.gz VMUSJSNRIRZXDE-JTQLQIEISA-N 1 0 251.326 2.158 10 30 CEEERO CC#CCOc1c(C)cc(C[NH2+]CCOC)cc1C ZINC000062728687 519343946 /nfs/dbraw/zinc/34/39/46/519343946.db2.gz KIZHGHDXABYYNP-UHFFFAOYSA-N 1 0 261.365 2.442 10 30 CEEERO CC(C)CC(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587144 519597747 /nfs/dbraw/zinc/59/77/47/519597747.db2.gz XUUWUMQKJNHWTN-ZDUSSCGKSA-N 1 0 258.365 2.220 10 30 CEEERO CC(C)CC(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586734 519598608 /nfs/dbraw/zinc/59/86/08/519598608.db2.gz MXVRHWCYYXFIET-ZDUSSCGKSA-N 1 0 258.365 2.220 10 30 CEEERO CC(C)C[NH2+]Cc1cc2c(cc1OCC#N)OCO2 ZINC000062733954 519747104 /nfs/dbraw/zinc/74/71/04/519747104.db2.gz ZONVLWCJVURYQR-UHFFFAOYSA-N 1 0 262.309 2.063 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1c(C#N)nnc2ccccc21 ZINC000156806823 519796405 /nfs/dbraw/zinc/79/64/05/519796405.db2.gz KZEYWVSNUBMSFI-ZDUSSCGKSA-N 1 0 283.379 2.311 10 30 CEEERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(C#N)cc(F)c1C ZINC000061233616 519938691 /nfs/dbraw/zinc/93/86/91/519938691.db2.gz AQDAMYJPLNTDCK-SECBINFHSA-N 1 0 263.316 2.190 10 30 CEEERO CCCN[C@@H](C#N)CC[N@H+](CCOC)C(CC)CC ZINC000062437720 519982176 /nfs/dbraw/zinc/98/21/76/519982176.db2.gz VZZJOVLHSADDQH-CQSZACIVSA-N 1 0 269.433 2.405 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652801 520100268 /nfs/dbraw/zinc/10/02/68/520100268.db2.gz APGLBWDQALNOST-SJORKVTESA-N 1 0 294.487 2.465 10 30 CEEERO CCN[C@@](C#N)(CN(CCOC)[C@@H](C)C1CC1)C1CC1 ZINC000069080193 520125559 /nfs/dbraw/zinc/12/55/59/520125559.db2.gz OKZGVUCODKQWDZ-BBRMVZONSA-N 1 0 279.428 2.015 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000068612303 520225867 /nfs/dbraw/zinc/22/58/67/520225867.db2.gz WPANXCUWGIYASB-CVEARBPZSA-N 1 0 282.476 2.176 10 30 CEEERO CCC[C@@H]([NH2+]CC(=O)NCCC#N)c1cccs1 ZINC000049544894 520770510 /nfs/dbraw/zinc/77/05/10/520770510.db2.gz RVBAPHMYNMBXMJ-LLVKDONJSA-N 1 0 265.382 2.209 10 30 CEEERO C[NH+](C)C[C@H]1CCCN1Cc1ccc(C#CCCO)s1 ZINC000061652321 521871276 /nfs/dbraw/zinc/87/12/76/521871276.db2.gz YXWYVIJUAIHWQF-CQSZACIVSA-N 1 0 292.448 2.008 10 30 CEEERO CC[C@@H](C)C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586614 521901898 /nfs/dbraw/zinc/90/18/98/521901898.db2.gz RRTXULZFAVOSRR-CYBMUJFWSA-N 1 0 258.365 2.001 10 30 CEEERO C[N@H+](Cc1ccc(C#CCCO)cc1)Cc1ccccn1 ZINC000049618619 523203928 /nfs/dbraw/zinc/20/39/28/523203928.db2.gz LRHOCXQBHZRFJC-UHFFFAOYSA-N 1 0 280.371 2.448 10 30 CEEERO CC[C@@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#CCO)c1 ZINC000049615146 523269692 /nfs/dbraw/zinc/26/96/92/523269692.db2.gz KGRCPKFGNITPFN-MRXNPFEDSA-N 1 0 273.376 2.413 10 30 CEEERO C[N@@H+](Cc1cccc(C#CCCO)c1)C[C@@H]1CCCO1 ZINC000049614159 523290521 /nfs/dbraw/zinc/29/05/21/523290521.db2.gz WAHGUTWUAOOBAZ-KRWDZBQOSA-N 1 0 273.376 2.031 10 30 CEEERO CN(Cc1cccnc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609287 523417765 /nfs/dbraw/zinc/41/77/65/523417765.db2.gz GLPVPPIGMQSGTJ-UHFFFAOYSA-N 1 0 283.350 2.163 10 30 CEEERO CN(Cc1ccncc1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609301 523462528 /nfs/dbraw/zinc/46/25/28/523462528.db2.gz GAWKTYJXFGNQCN-UHFFFAOYSA-N 1 0 283.350 2.163 10 30 CEEERO CCc1c(C)nn(Cc2cccc(C#CC[NH3+])c2)c1C ZINC000049610259 523716802 /nfs/dbraw/zinc/71/68/02/523716802.db2.gz CCNAJAYCMQIZCN-UHFFFAOYSA-N 1 0 267.376 2.421 10 30 CEEERO C[NH+]1CCC(CNc2ccc(OCC#N)cc2)CC1 ZINC000054240149 523764612 /nfs/dbraw/zinc/76/46/12/523764612.db2.gz QYXGIUSGFQQBKT-UHFFFAOYSA-N 1 0 259.353 2.343 10 30 CEEERO C[N@@H+]1CC[C@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000069052361 523982063 /nfs/dbraw/zinc/98/20/63/523982063.db2.gz WWEBLOBUNURNKF-GFCCVEGCSA-N 1 0 266.348 2.470 10 30 CEEERO CO[C@H]1CCC[C@H](Oc2ccccc2C#CC[NH3+])C1 ZINC000070338238 523984351 /nfs/dbraw/zinc/98/43/51/523984351.db2.gz UYJQMMJGAFORDP-GJZGRUSLSA-N 1 0 259.349 2.333 10 30 CEEERO Cc1cccc(C(=O)NCc2ccc(C#CC[NH3+])cc2)c1 ZINC000049586298 524199619 /nfs/dbraw/zinc/19/96/19/524199619.db2.gz XMUJOIKGAIXXFH-UHFFFAOYSA-N 1 0 278.355 2.235 10 30 CEEERO C[C@H](C[NH3+])C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000054344574 524304880 /nfs/dbraw/zinc/30/48/80/524304880.db2.gz ZEOJYAUHYKDKGR-RKDXNWHRSA-N 1 0 277.393 2.278 10 30 CEEERO Cc1ccc(F)cc1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629355 524868848 /nfs/dbraw/zinc/86/88/48/524868848.db2.gz IYDMNNAHVQBIHN-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[C@@H]([NH3+])CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000070314927 524996963 /nfs/dbraw/zinc/99/69/63/524996963.db2.gz IJQCZTMMRSHPGQ-MRVPVSSYSA-N 1 0 251.717 2.278 10 30 CEEERO CSCCC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691947 525377938 /nfs/dbraw/zinc/37/79/38/525377938.db2.gz BZLWLMIIHLGETP-UHFFFAOYSA-N 1 0 282.796 2.342 10 30 CEEERO Cc1ccc(C(=O)Nc2cccc(C#CC[NH3+])c2)c(C)n1 ZINC000055331184 526223934 /nfs/dbraw/zinc/22/39/34/526223934.db2.gz LDXDCEDLNQIQJO-UHFFFAOYSA-N 1 0 279.343 2.261 10 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2.034 10 30 CEEERO [NH3+]CC#Cc1cccc(NC(=O)CC[C@@H]2CCCCO2)c1 ZINC000069399454 527153732 /nfs/dbraw/zinc/15/37/32/527153732.db2.gz XSDFHEHVSLUERA-INIZCTEOSA-N 1 0 286.375 2.285 10 30 CEEERO CC[C@H]1CN(c2nc(Cl)c(C#N)s2)CC[C@@H]1[NH3+] ZINC000234135628 623197863 /nfs/dbraw/zinc/19/78/63/623197863.db2.gz GVDDXOKAOOBGLO-YUMQZZPRSA-N 1 0 270.789 2.232 10 30 CEEERO C[C@H]1CCCN(c2nc(Cl)c(C#N)s2)[C@H]1C[NH3+] ZINC000300125064 624726248 /nfs/dbraw/zinc/72/62/48/624726248.db2.gz HLNBFVQEKNWODO-YUMQZZPRSA-N 1 0 270.789 2.232 10 30 CEEERO C=C(Cl)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000328319162 631532605 /nfs/dbraw/zinc/53/26/05/631532605.db2.gz DGKQHQMHNPOCMB-KGLIPLIRSA-N 1 0 250.773 2.413 10 30 CEEERO C#CCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000173563635 639865475 /nfs/dbraw/zinc/86/54/75/639865475.db2.gz IVDYHGOISAPSQS-HNNXBMFYSA-N 1 0 273.380 2.002 10 30 CEEERO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000127872140 651328353 /nfs/dbraw/zinc/32/83/53/651328353.db2.gz DRMAEBABEQOYBC-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC000121144747 365527260 /nfs/dbraw/zinc/52/72/60/365527260.db2.gz MDJQNOKCZKUEPG-ZDUSSCGKSA-N 1 0 284.338 2.420 10 30 CEEERO C[C@H]1CCCC[C@H]1NC(=O)N1CCC(C#N)(N(C)C)CC1 ZINC000336427267 365575238 /nfs/dbraw/zinc/57/52/38/365575238.db2.gz UIXIIWUPDIOLPV-UONOGXRCSA-N 1 0 292.427 2.194 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1cccc(C)c1)C(C)C ZINC000036098753 361828132 /nfs/dbraw/zinc/82/81/32/361828132.db2.gz ZTJCNTWGFGLJKV-KRWDZBQOSA-N 1 0 275.392 2.216 10 30 CEEERO C=CCC[C@@H](O)C[N@@H+](C)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000036147301 361831512 /nfs/dbraw/zinc/83/15/12/361831512.db2.gz ASDYXGPDSLHJGF-CVEARBPZSA-N 1 0 288.391 2.439 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc(C#N)c1 ZINC000175050771 529407248 /nfs/dbraw/zinc/40/72/48/529407248.db2.gz NYHKEKJWBPSVCV-IAGOWNOFSA-N 1 0 299.418 2.496 10 30 CEEERO C[C@H](Nc1cccc(C#N)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000126620226 187252205 /nfs/dbraw/zinc/25/22/05/187252205.db2.gz NRRPFFUGYKSIQI-CMPLNLGQSA-N 1 0 274.324 2.266 10 30 CEEERO C#CCOc1ccc(C[NH2+]CCN(CC)CC)cc1 ZINC000045946409 362171847 /nfs/dbraw/zinc/17/18/47/362171847.db2.gz GXNWLFWKMHJJGZ-UHFFFAOYSA-N 1 0 260.381 2.130 10 30 CEEERO C#CC[C@H]([NH3+])c1ccc(I)cc1 ZINC000168538682 344480255 /nfs/dbraw/zinc/48/02/55/344480255.db2.gz FRZONGUOQLFOGF-JTQLQIEISA-N 1 0 271.101 2.314 10 30 CEEERO CCc1nnc(N2CC[C@H]([NH3+])[C@@H](CC)C2)c(C#N)c1CC ZINC000226039376 344548652 /nfs/dbraw/zinc/54/86/52/344548652.db2.gz QZLUPBHXZQTQHC-FZMZJTMJSA-N 1 0 287.411 2.037 10 30 CEEERO N#Cc1ccnc(N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000227724940 344556455 /nfs/dbraw/zinc/55/64/55/344556455.db2.gz PJAIUUGPVUBXTH-OAHLLOKOSA-N 1 0 264.332 2.016 10 30 CEEERO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1CCCO ZINC000052759637 362472837 /nfs/dbraw/zinc/47/28/37/362472837.db2.gz PDPYRWPRSKBGTJ-OAHLLOKOSA-N 1 0 274.364 2.174 10 30 CEEERO Cc1nc(N(C)CC(C)(C)[NH3+])c(Cl)cc1C#N ZINC000594692203 345672521 /nfs/dbraw/zinc/67/25/21/345672521.db2.gz OZXUQPKZNQQZDD-UHFFFAOYSA-N 1 0 252.749 2.089 10 30 CEEERO N#Cc1ccnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594697201 345673763 /nfs/dbraw/zinc/67/37/63/345673763.db2.gz NVQOMWUPXGLMRO-OAHLLOKOSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1cccc(Cl)c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174685270 232297646 /nfs/dbraw/zinc/29/76/46/232297646.db2.gz IYFYPSMSNVQWQW-ZDUSSCGKSA-N 1 0 293.798 2.470 10 30 CEEERO C[C@H]1CC[C@H](Nc2cc(C#N)c3ccccc3n2)C[NH2+]1 ZINC000600956062 346717519 /nfs/dbraw/zinc/71/75/19/346717519.db2.gz VOGYBIOQUNYDQJ-AAEUAGOBSA-N 1 0 266.348 2.081 10 30 CEEERO N#Cc1ccnc(NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000600962213 346719680 /nfs/dbraw/zinc/71/96/80/346719680.db2.gz ZZUVFXQUBFCUJH-OAHLLOKOSA-N 1 0 266.348 2.325 10 30 CEEERO N#Cc1ccnc(NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000600962212 346720014 /nfs/dbraw/zinc/72/00/14/346720014.db2.gz ZZUVFXQUBFCUJH-HNNXBMFYSA-N 1 0 266.348 2.325 10 30 CEEERO N#Cc1cc2c(nc1N[C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000600962919 346720387 /nfs/dbraw/zinc/72/03/87/346720387.db2.gz PEFFTLOCOQKUSM-YEORSEQZSA-N 1 0 270.380 2.371 10 30 CEEERO Cc1cc(C)c(C#N)c(NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000129341935 365847635 /nfs/dbraw/zinc/84/76/35/365847635.db2.gz ITDWYEBVYGELBV-OAHLLOKOSA-N 1 0 258.369 2.372 10 30 CEEERO CCc1nnc(NC[C@@]2(C)CCC[NH2+]C2)c(C#N)c1CC ZINC000129370135 365850684 /nfs/dbraw/zinc/85/06/84/365850684.db2.gz SWYVNGWJSNIRHE-INIZCTEOSA-N 1 0 287.411 2.275 10 30 CEEERO N#Cc1ccc(C(=O)Nc2ccccc2C[NH3+])cc1 ZINC000085810250 179177580 /nfs/dbraw/zinc/17/75/80/179177580.db2.gz MANAJUZRUGIEMH-UHFFFAOYSA-N 1 0 251.289 2.269 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)s1 ZINC000128510220 187374871 /nfs/dbraw/zinc/37/48/71/187374871.db2.gz AIDXAEYBKFMWHC-GFCCVEGCSA-N 1 0 287.392 2.123 10 30 CEEERO C=C(C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616571164 348524342 /nfs/dbraw/zinc/52/43/42/348524342.db2.gz POMMKOQCJPUGBQ-KGLIPLIRSA-N 1 0 262.328 2.045 10 30 CEEERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1cccc(F)c1C#N ZINC000090333749 179963936 /nfs/dbraw/zinc/96/39/36/179963936.db2.gz JCHWQCBIZSBNGT-MPKXVKKWSA-N 1 0 259.328 2.132 10 30 CEEERO [NH3+]CC#Cc1cncc(OC[C@H]2Cc3ccccc32)c1 ZINC000090981050 180078893 /nfs/dbraw/zinc/07/88/93/180078893.db2.gz DIRBNFBTCWVCLN-OAHLLOKOSA-N 1 0 264.328 2.111 10 30 CEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1ccc(Cl)cc1 ZINC000091460963 180161651 /nfs/dbraw/zinc/16/16/51/180161651.db2.gz HVQRNRIBSFCEGY-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO N#CC1(c2ccc(OC(F)F)cc2)CC[NH2+]CC1 ZINC000091471355 180165572 /nfs/dbraw/zinc/16/55/72/180165572.db2.gz RONPDRSMWYFFSI-UHFFFAOYSA-N 1 0 252.264 2.433 10 30 CEEERO C[NH2+][C@H](c1ccn(Cc2cccnc2C#N)c1)C1CC1 ZINC000091836285 180268044 /nfs/dbraw/zinc/26/80/44/180268044.db2.gz ROAWILDUKGLHHH-INIZCTEOSA-N 1 0 266.348 2.474 10 30 CEEERO CC(C)(C)C1CCC(C#N)([C@]2(O)CC[NH2+]C2)CC1 ZINC000091879132 180279445 /nfs/dbraw/zinc/27/94/45/180279445.db2.gz NGPYDNIKQOUPTO-ZALBZXLWSA-N 1 0 250.386 2.457 10 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ZSAAXYKTLMYEQR-DGCLKSJQSA-N 1 0 262.353 2.137 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@H]1C1CCCCC1 ZINC000092474863 180393683 /nfs/dbraw/zinc/39/36/83/180393683.db2.gz VMCCBSZVRAEEOF-AWEZNQCLSA-N 1 0 250.386 2.333 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1OC(C)C ZINC000092474308 180393687 /nfs/dbraw/zinc/39/36/87/180393687.db2.gz QNXHXKLKLRADEF-ZDUSSCGKSA-N 1 0 276.380 2.427 10 30 CEEERO C=CC[NH2+]CC(=O)N(CC(F)(F)F)C(CC)CC ZINC000092474803 180394053 /nfs/dbraw/zinc/39/40/53/180394053.db2.gz CZAQKKJHTCHCGB-UHFFFAOYSA-N 1 0 266.307 2.342 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(Cl)ccc1-n1cccn1 ZINC000092474410 180394211 /nfs/dbraw/zinc/39/42/11/180394211.db2.gz LNWCGLLFMNUPKW-UHFFFAOYSA-N 1 0 290.754 2.240 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])s2)CC1 ZINC000110817733 186327147 /nfs/dbraw/zinc/32/71/47/186327147.db2.gz XGIYXHUXCLMIKE-GFCCVEGCSA-N 1 0 276.405 2.321 10 30 CEEERO N#CCc1nc2ccccc2n1[C@@H](C[NH3+])C(F)(F)F ZINC000110951653 186336594 /nfs/dbraw/zinc/33/65/94/186336594.db2.gz LCUQBHGYUIZLHE-JTQLQIEISA-N 1 0 268.242 2.164 10 30 CEEERO CC[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000110718625 186315734 /nfs/dbraw/zinc/31/57/34/186315734.db2.gz TXNIRLBMJIEISF-CQSZACIVSA-N 1 0 261.344 2.223 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737519 186318330 /nfs/dbraw/zinc/31/83/30/186318330.db2.gz AZMUGWTXGZTTHQ-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCO)cc1F)C[C@H]1CCCOC1 ZINC000111168260 186363911 /nfs/dbraw/zinc/36/39/11/186363911.db2.gz RYZURDKKRFNAFH-OAHLLOKOSA-N 1 0 291.366 2.028 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169157 186365434 /nfs/dbraw/zinc/36/54/34/186365434.db2.gz UZQDRUBPTYHQAX-JKSUJKDBSA-N 1 0 281.444 2.407 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@H+](C)CC1CCOCC1 ZINC000111169288 186365994 /nfs/dbraw/zinc/36/59/94/186365994.db2.gz BZVSSDDYWOUHAG-MRXNPFEDSA-N 1 0 281.444 2.405 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000111243137 186375225 /nfs/dbraw/zinc/37/52/25/186375225.db2.gz ZDBUJBHAMLCFTF-GFCCVEGCSA-N 1 0 283.253 2.039 10 30 CEEERO Cc1cc(NS(=O)(=O)CCC(C)C)ccc1C#CC[NH3+] ZINC000111658267 186438703 /nfs/dbraw/zinc/43/87/03/186438703.db2.gz TVPWDDWLFVXZEH-UHFFFAOYSA-N 1 0 294.420 2.093 10 30 CEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ccc(C#N)cn1 ZINC000131440219 366054655 /nfs/dbraw/zinc/05/46/55/366054655.db2.gz DUHNIGUYEMHSRL-CQSZACIVSA-N 1 0 258.369 2.486 10 30 CEEERO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1[NH+](C)C ZINC000271619559 191244112 /nfs/dbraw/zinc/24/41/12/191244112.db2.gz WQKVDQBYVASYEP-IAQYHMDHSA-N 1 0 261.344 2.079 10 30 CEEERO [NH2+]=C(NC[C@H]1CCCO1)SCC(F)(F)C(F)F ZINC000074942623 363425335 /nfs/dbraw/zinc/42/53/35/363425335.db2.gz VHKYHTNIWQHEGJ-ZCFIWIBFSA-N 1 0 274.283 2.114 10 30 CEEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261561591 283095412 /nfs/dbraw/zinc/09/54/12/283095412.db2.gz FZORRTPEDFAJMZ-TVYUQYBPSA-N 1 0 261.756 2.385 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133689400 366248698 /nfs/dbraw/zinc/24/86/98/366248698.db2.gz GTEDHVCDDHUMSC-MWLCHTKSSA-N 1 0 265.307 2.400 10 30 CEEERO C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@H]1[NH+](C)C ZINC000300240169 200887517 /nfs/dbraw/zinc/88/75/17/200887517.db2.gz JNZXNTDLPUZEKZ-BXUZGUMPSA-N 1 0 261.344 2.079 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)ccc1F ZINC000083551021 363779713 /nfs/dbraw/zinc/77/97/13/363779713.db2.gz PVKFQEWTDCUKCK-SWLSCSKDSA-N 1 0 273.355 2.366 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1ccccc1C#N ZINC000092628715 364090714 /nfs/dbraw/zinc/09/07/14/364090714.db2.gz ZQSGYBDOKFYFCI-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO CN(CC(C)(C)C[NH3+])c1nc2c(cc1C#N)CCCC2 ZINC000093874751 364239434 /nfs/dbraw/zinc/23/94/34/364239434.db2.gz GQGNODIZHSLYIX-UHFFFAOYSA-N 1 0 272.396 2.253 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000094460716 364275981 /nfs/dbraw/zinc/27/59/81/364275981.db2.gz RQJVQGYXUGEAMS-QWHCGFSZSA-N 1 0 263.385 2.011 10 30 CEEERO N#Cc1cc(F)c(N[C@@H]2CC[C@@H](C[NH3+])C2)c(F)c1 ZINC000335576277 212287683 /nfs/dbraw/zinc/28/76/83/212287683.db2.gz ARECLOJFSIYJBN-PSASIEDQSA-N 1 0 251.280 2.376 10 30 CEEERO C=CCCCCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000193376789 369934389 /nfs/dbraw/zinc/93/43/89/369934389.db2.gz FTQOYNRYVSIILO-HOTGVXAUSA-N 1 0 266.429 2.385 10 30 CEEERO C=C(Br)CN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247120414 371067798 /nfs/dbraw/zinc/06/77/98/371067798.db2.gz JAPLLDJMCDPGMF-MNOVXSKESA-N 1 0 259.191 2.064 10 30 CEEERO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248597515 371219721 /nfs/dbraw/zinc/21/97/21/371219721.db2.gz MVUDYFNNVUHOOS-YNEHKIRRSA-N 1 0 266.385 2.408 10 30 CEEERO COCC[N@@H+]1CCN(Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000249111065 371296020 /nfs/dbraw/zinc/29/60/20/371296020.db2.gz BHVGQSFIZOXEOU-HNNXBMFYSA-N 1 0 287.407 2.019 10 30 CEEERO CCc1nnc(N2CCC[C@H]([C@H](C)[NH3+])C2)c(C#N)c1CC ZINC000250125688 371378768 /nfs/dbraw/zinc/37/87/68/371378768.db2.gz BWYUZZIALDFPTI-RYUDHWBXSA-N 1 0 287.411 2.037 10 30 CEEERO Cc1nc(NC[C@@H]2CCC[NH2+]C2)c(Cl)cc1C#N ZINC000261566971 371652571 /nfs/dbraw/zinc/65/25/71/371652571.db2.gz IJRKENMCWKOFTO-SNVBAGLBSA-N 1 0 264.760 2.327 10 30 CEEERO C[C@@H]1C[NH2+]CCN1c1ccc(C#N)cc1Br ZINC000261958815 371783316 /nfs/dbraw/zinc/78/33/16/371783316.db2.gz MGNRFQOVFZYJFI-SECBINFHSA-N 1 0 280.169 2.119 10 30 CEEERO Cc1cc(C#CC[NH3+])ccc1N1C(=O)c2ccccc2C1=O ZINC000306318548 376545689 /nfs/dbraw/zinc/54/56/89/376545689.db2.gz SHNOGNGGNQWHCB-UHFFFAOYSA-N 1 0 290.322 2.106 10 30 CEEERO C#CC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000093461930 184678175 /nfs/dbraw/zinc/67/81/75/184678175.db2.gz NBYYDTJUPNEGIS-CHWSQXEVSA-N 1 0 266.385 2.387 10 30 CEEERO O=C(C#Cc1ccccc1)N(CC1CC[NH2+]CC1)C1CC1 ZINC000094023288 184750987 /nfs/dbraw/zinc/75/09/87/184750987.db2.gz GGSYFBSNCXGYOS-UHFFFAOYSA-N 1 0 282.387 2.029 10 30 CEEERO N#Cc1cccc(CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000094750974 184852887 /nfs/dbraw/zinc/85/28/87/184852887.db2.gz KLHGIPQJSRLVGR-LSDHHAIUSA-N 1 0 271.364 2.082 10 30 CEEERO N#Cc1ccc(NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000094592252 184821899 /nfs/dbraw/zinc/82/18/99/184821899.db2.gz LTGPRXRUXFJSIV-UHFFFAOYSA-N 1 0 260.297 2.150 10 30 CEEERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1cccc(F)c1C#N ZINC000094697249 184841510 /nfs/dbraw/zinc/84/15/10/184841510.db2.gz RHNXCXHDJLAUGQ-JTQLQIEISA-N 1 0 263.316 2.257 10 30 CEEERO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1C#N ZINC000230664306 130906360 /nfs/dbraw/zinc/90/63/60/130906360.db2.gz NCWSEDLPDHDTST-ZFWWWQNUSA-N 1 0 274.364 2.208 10 30 CEEERO CC(C)[NH2+]C[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000081597207 134500347 /nfs/dbraw/zinc/50/03/47/134500347.db2.gz CNKACAZMYJMCOJ-CYBMUJFWSA-N 1 0 258.369 2.168 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000261578650 394602734 /nfs/dbraw/zinc/60/27/34/394602734.db2.gz DFSFNEJFOIGEHU-OUJBWJOFSA-N 1 0 263.291 2.010 10 30 CEEERO N#Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc2ccccc12 ZINC000261758653 394607503 /nfs/dbraw/zinc/60/75/03/394607503.db2.gz USNRRRVCCWPWNB-DOMZBBRYSA-N 1 0 278.359 2.295 10 30 CEEERO C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400696116 395254401 /nfs/dbraw/zinc/25/44/01/395254401.db2.gz BBOIYORIJVCBDY-HZSPNIEDSA-N 1 0 298.427 2.159 10 30 CEEERO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(F)c(F)c1 ZINC000181638959 395220903 /nfs/dbraw/zinc/22/09/03/395220903.db2.gz DBIYZMKJWQKLPT-LLVKDONJSA-N 1 0 295.333 2.378 10 30 CEEERO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000533081573 395460813 /nfs/dbraw/zinc/46/08/13/395460813.db2.gz FNUDZDMEZWKVED-ZFWWWQNUSA-N 1 0 269.348 2.371 10 30 CEEERO CC#CC[N@@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195254329 395463227 /nfs/dbraw/zinc/46/32/27/395463227.db2.gz JOPOVCHLPHCPAE-AWEZNQCLSA-N 1 0 277.437 2.229 10 30 CEEERO Cc1nc(N[C@H](C)C[C@H](C)[NH3+])c(Cl)cc1C#N ZINC000320777598 297497779 /nfs/dbraw/zinc/49/77/79/297497779.db2.gz ZHCBXQBQVQOYRP-JGVFFNPUSA-N 1 0 252.749 2.453 10 30 CEEERO C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000163998827 296564481 /nfs/dbraw/zinc/56/44/81/296564481.db2.gz VBJBFUUDFYHTIQ-KOLCDFICSA-N 1 0 265.307 2.258 10 30 CEEERO CCc1nnc(N2CCC[C@H]([C@@H](C)[NH3+])C2)c(C#N)c1CC ZINC000125500462 400278572 /nfs/dbraw/zinc/27/85/72/400278572.db2.gz BWYUZZIALDFPTI-NEPJUHHUSA-N 1 0 287.411 2.037 10 30 CEEERO N#Cc1cccc(OCCC[N@H+]2CC[C@H](CCO)C2)c1 ZINC000217836222 153295229 /nfs/dbraw/zinc/29/52/29/153295229.db2.gz DMHIIIAMVAZTME-CQSZACIVSA-N 1 0 274.364 2.031 10 30 CEEERO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1OCC#N ZINC000034991940 171919070 /nfs/dbraw/zinc/91/90/70/171919070.db2.gz IHURVGHZVHSXHV-OAHLLOKOSA-N 1 0 273.380 2.163 10 30 CEEERO C#CCOc1c(Br)cc(C[C@H](C)[NH3+])cc1OC ZINC000037724852 173644078 /nfs/dbraw/zinc/64/40/78/173644078.db2.gz PLAIHPZUXWRVEA-VIFPVBQESA-N 1 0 298.180 2.359 10 30 CEEERO CCC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000037852819 173804697 /nfs/dbraw/zinc/80/46/97/173804697.db2.gz HPUJERBSWAFICW-TZMCWYRMSA-N 1 0 262.353 2.076 10 30 CEEERO N#C[C@@H](c1ccc(Br)cc1)N1CCC[NH2+]CC1 ZINC000037940487 173880571 /nfs/dbraw/zinc/88/05/71/173880571.db2.gz GRSPPYMQWSQUHQ-ZDUSSCGKSA-N 1 0 294.196 2.309 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)CC1CC[NH2+]CC1 ZINC000038075135 174085328 /nfs/dbraw/zinc/08/53/28/174085328.db2.gz UXKYNQMFUGJBMH-UHFFFAOYSA-N 1 0 261.300 2.026 10 30 CEEERO C=C(Br)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747054 174392581 /nfs/dbraw/zinc/39/25/81/174392581.db2.gz WGEAPLIUHNUTPT-ZACCUICWSA-N 1 0 259.191 2.110 10 30 CEEERO CN(c1ccc(C#N)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747369 174392918 /nfs/dbraw/zinc/39/29/18/174392918.db2.gz VQQPAXMPAXJBAP-FUNVUKJBSA-N 1 0 286.335 2.186 10 30 CEEERO N#Cc1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1Cl ZINC000042166735 174648863 /nfs/dbraw/zinc/64/88/63/174648863.db2.gz LUKMYDKWDBZYPI-JTQLQIEISA-N 1 0 263.728 2.292 10 30 CEEERO C[C@H]([NH3+])[C@@H](c1cccc(Cl)c1)N(CC#N)CC#N ZINC000042975121 174938362 /nfs/dbraw/zinc/93/83/62/174938362.db2.gz DLRLRFACGAXXTC-GWCFXTLKSA-N 1 0 262.744 2.077 10 30 CEEERO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCO)CC1 ZINC000657943149 415135628 /nfs/dbraw/zinc/13/56/28/415135628.db2.gz JIQDMNGVEUMTPF-HOCLYGCPSA-N 1 0 266.429 2.168 10 30 CEEERO CCC[NH2+][C@H](c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 ZINC000043301277 175001991 /nfs/dbraw/zinc/00/19/91/175001991.db2.gz UBCBFIZXXJGMRT-LSDHHAIUSA-N 1 0 292.404 2.034 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342289 175015854 /nfs/dbraw/zinc/01/58/54/175015854.db2.gz JIOCBXILOXJEQK-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO CCN(Cc1cc(C#CC[NH3+])cs1)CC(F)(F)F ZINC000043689128 175096253 /nfs/dbraw/zinc/09/62/53/175096253.db2.gz PJHXOEYEOUZMPU-UHFFFAOYSA-N 1 0 276.327 2.443 10 30 CEEERO C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C#N)CCCCCC1 ZINC000044767403 175250065 /nfs/dbraw/zinc/25/00/65/175250065.db2.gz ROXMTIPYXVTMEK-CQSZACIVSA-N 1 0 277.412 2.451 10 30 CEEERO CCC[C@@H](C#N)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000044825882 175259060 /nfs/dbraw/zinc/25/90/60/175259060.db2.gz VUPUXEZIGFCQSA-STQMWFEESA-N 1 0 253.390 2.019 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](C)C1CCN(C)CC1 ZINC000045307878 175356516 /nfs/dbraw/zinc/35/65/16/175356516.db2.gz AIJZXSVCXXLHTH-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](CCN(C)C)CC(C)C ZINC000045313987 175357558 /nfs/dbraw/zinc/35/75/58/175357558.db2.gz FOTVOYDNHRMLTB-INIZCTEOSA-N 1 0 282.476 2.178 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000062113513 175662950 /nfs/dbraw/zinc/66/29/50/175662950.db2.gz RYKAKGHDRQBOAM-SECBINFHSA-N 1 0 283.253 2.125 10 30 CEEERO CCC[NH2+][C@@H]1CCCN(Cc2ccc(C#N)cc2)C1=O ZINC000071041563 176027924 /nfs/dbraw/zinc/02/79/24/176027924.db2.gz KRIXDJJJOKBIOJ-OAHLLOKOSA-N 1 0 271.364 2.049 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)N(CCC#N)CCOC ZINC000071222486 176088150 /nfs/dbraw/zinc/08/81/50/176088150.db2.gz ZOSVMQKISKMZHB-CVEARBPZSA-N 1 0 293.386 2.466 10 30 CEEERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1/C(N)=N/O ZINC000071266690 176100527 /nfs/dbraw/zinc/10/05/27/176100527.db2.gz ANFCWQKKKJRDHN-SNVBAGLBSA-N 1 0 265.332 2.295 10 30 CEEERO C[C@H](c1cccc(C#CC[NH3+])c1)N1CCCCCC1=O ZINC000071278329 176107772 /nfs/dbraw/zinc/10/77/72/176107772.db2.gz IETMSSGFJPQVGS-CQSZACIVSA-N 1 0 270.376 2.460 10 30 CEEERO [NH3+]CC#Cc1ccc(N2CCCCCC2=O)c(F)c1 ZINC000071278318 176107840 /nfs/dbraw/zinc/10/78/40/176107840.db2.gz KGJPPFOJXJJSQF-UHFFFAOYSA-N 1 0 260.312 2.043 10 30 CEEERO Cc1sc(=O)n(Cc2ccc(F)cc2C#CC[NH3+])c1C ZINC000071351742 176135062 /nfs/dbraw/zinc/13/50/62/176135062.db2.gz MPIUGTTYKFDPMW-UHFFFAOYSA-N 1 0 290.363 2.024 10 30 CEEERO C[N@@H+]1CC[C@@H](Nc2nc3ccccc3cc2C#N)C1 ZINC000071385840 176147529 /nfs/dbraw/zinc/14/75/29/176147529.db2.gz BCNYHRUSHBHSKM-CYBMUJFWSA-N 1 0 252.321 2.222 10 30 CEEERO CCN(CCC#N)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400836 176153082 /nfs/dbraw/zinc/15/30/82/176153082.db2.gz JAXQFEPVWKGPFD-CQSZACIVSA-N 1 0 259.353 2.229 10 30 CEEERO C[C@@H](C#N)CN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400820 176153218 /nfs/dbraw/zinc/15/32/18/176153218.db2.gz RRTOPKBMFSRWGG-GXTWGEPZSA-N 1 0 259.353 2.085 10 30 CEEERO Cc1ccncc1NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000071414780 176160046 /nfs/dbraw/zinc/16/00/46/176160046.db2.gz DJHKOQSSXIIPJH-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CC[NH+](CC)CCCN1C(=O)c2ccccc2[C@@H]1C#N ZINC000071677983 176243165 /nfs/dbraw/zinc/24/31/65/176243165.db2.gz MIVAPXNFSSYSBE-HNNXBMFYSA-N 1 0 271.364 2.439 10 30 CEEERO CC(C)N1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680405 176244888 /nfs/dbraw/zinc/24/48/88/176244888.db2.gz LHSLDUJBJRGQFR-AWEZNQCLSA-N 1 0 257.337 2.177 10 30 CEEERO CC[C@H](CC[NH3+])CCC(=O)NCc1ccc(C#N)cc1 ZINC000079209410 177446918 /nfs/dbraw/zinc/44/69/18/177446918.db2.gz AMSARBORRGOHSF-ZDUSSCGKSA-N 1 0 273.380 2.330 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000235324852 274362652 /nfs/dbraw/zinc/36/26/52/274362652.db2.gz XZWGKZCSEYGLLZ-PELKAZGASA-N 1 0 269.270 2.360 10 30 CEEERO Cc1nc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)cc1C#N ZINC000261606048 274843069 /nfs/dbraw/zinc/84/30/69/274843069.db2.gz RJIDOEJIMPSLCR-XHVZSJERSA-N 1 0 276.771 2.089 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089092129 274925786 /nfs/dbraw/zinc/92/57/86/274925786.db2.gz JEVQNKZKQSDSRA-QWRGUYRKSA-N 1 0 260.297 2.006 10 30 CEEERO CC[NH2+]CC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000130010919 276264389 /nfs/dbraw/zinc/26/43/89/276264389.db2.gz KNEXRGZLJZXJJJ-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO C[C@@H]1CN(c2cccc(Br)c2C#N)CC[C@@H]1[NH3+] ZINC000169095133 278805340 /nfs/dbraw/zinc/80/53/40/278805340.db2.gz YLTBXYYUTNPUOF-SKDRFNHKSA-N 1 0 294.196 2.494 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)CCc1ccc(C#N)cc1 ZINC000177007976 279297250 /nfs/dbraw/zinc/29/72/50/279297250.db2.gz ZHANEXZAGQGOBT-QGZVFWFLSA-N 1 0 299.418 2.434 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000110651677 279394435 /nfs/dbraw/zinc/39/44/35/279394435.db2.gz YMBDLWIJMHAOBH-JTQLQIEISA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@H]1[NH3+] ZINC000251840796 279887672 /nfs/dbraw/zinc/88/76/72/279887672.db2.gz QKSPHMHDMYMPEY-WCBMZHEXSA-N 1 0 284.285 2.146 10 30 CEEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000249284303 280390891 /nfs/dbraw/zinc/39/08/91/280390891.db2.gz OQIXSEBXQUVBAE-RVKKMQEKSA-N 1 0 299.418 2.272 10 30 CEEERO CC(C)N1C[C@H]([NH2+]Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000154098745 289134496 /nfs/dbraw/zinc/13/44/96/289134496.db2.gz WWDQAGKKPQRFJG-FZMZJTMJSA-N 1 0 263.410 2.438 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382443621 321839953 /nfs/dbraw/zinc/83/99/53/321839953.db2.gz HQNJYUONQIHGCR-AAEUAGOBSA-N 1 0 266.348 2.068 10 30 CEEERO C=CCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000177922255 329190538 /nfs/dbraw/zinc/19/05/38/329190538.db2.gz PXMALJMISFLSHS-UONOGXRCSA-N 1 0 250.386 2.428 10 30 CEEERO C=C(Br)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000226658090 329262323 /nfs/dbraw/zinc/26/23/23/329262323.db2.gz JAPLLDJMCDPGMF-QWRGUYRKSA-N 1 0 259.191 2.064 10 30 CEEERO C=CCCOCC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186434572 329342485 /nfs/dbraw/zinc/34/24/85/329342485.db2.gz AKIOEOSJPWLXIH-HUUCEWRRSA-N 1 0 283.412 2.143 10 30 CEEERO CO[C@H]1C[C@H](c2nc(C)no2)N(CCCC(C)(C)C#N)C1 ZINC000189322562 329379807 /nfs/dbraw/zinc/37/98/07/329379807.db2.gz VFABPVGMNMAPEV-QWHCGFSZSA-N 1 0 292.383 2.470 10 30 CEEERO C[NH+]=C(NCCC(F)(F)F)N(C)Cc1csc(C)n1 ZINC000261612164 329975579 /nfs/dbraw/zinc/97/55/79/329975579.db2.gz AEWVXOKLOMPDFJ-UHFFFAOYSA-N 1 0 294.346 2.411 10 30 CEEERO C[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261697186 329978366 /nfs/dbraw/zinc/97/83/66/329978366.db2.gz IWJFONGNIUNTER-ZNMIVQPWSA-N 1 0 291.439 2.299 10 30 CEEERO [NH2+]=C(NC[C@H](O)c1cccc(Cl)c1)NCC1CCC1 ZINC000262003710 329996415 /nfs/dbraw/zinc/99/64/15/329996415.db2.gz QNDIMLCVYZBSBC-ZDUSSCGKSA-N 1 0 281.787 2.078 10 30 CEEERO Cc1cc(CCNC(=[NH2+])Nc2ccc3c(c2)CCC3)on1 ZINC000262644044 330024264 /nfs/dbraw/zinc/02/42/64/330024264.db2.gz IOAUOGMJHPPGKY-UHFFFAOYSA-N 1 0 284.363 2.441 10 30 CEEERO Cc1cc(CCNC(=[NH2+])NC2CCCCCC2)on1 ZINC000262672277 330025953 /nfs/dbraw/zinc/02/59/53/330025953.db2.gz RQMLQUIJXLRDBY-UHFFFAOYSA-N 1 0 264.373 2.153 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1C[C@H](C)C[C@@H](C)C1 ZINC000262793202 330031845 /nfs/dbraw/zinc/03/18/45/330031845.db2.gz OUGIMXYPIFAOFU-KBXIAJHMSA-N 1 0 281.444 2.091 10 30 CEEERO Cc1c2ccccc2n(C)c1CNC1=[NH+]CCCN1C ZINC000263113413 330044383 /nfs/dbraw/zinc/04/43/83/330044383.db2.gz LFIPACHHSKXIQI-UHFFFAOYSA-N 1 0 270.380 2.268 10 30 CEEERO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400696120 332718509 /nfs/dbraw/zinc/71/85/09/332718509.db2.gz BBOIYORIJVCBDY-MGPQQGTHSA-N 1 0 298.427 2.159 10 30 CEEERO C#CCCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000133660471 334049150 /nfs/dbraw/zinc/04/91/50/334049150.db2.gz PIVCWUYSOZHDDP-ZDUSSCGKSA-N 1 0 266.385 2.389 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NCc1cccnc1C#N ZINC000061658398 519343170 /nfs/dbraw/zinc/34/31/70/519343170.db2.gz ZHKRSXNPOLSCJU-CQSZACIVSA-N 1 0 260.385 2.019 10 30 CEEERO CC(C)C[N@H+](CCN(C)C)[C@@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068612276 519716611 /nfs/dbraw/zinc/71/66/11/519716611.db2.gz JJGPTFSNFNLJII-RDJZCZTQSA-N 1 0 294.487 2.319 10 30 CEEERO CC(C)CN1CC[NH+](CC2(C=O)CCCC2)CC1 ZINC000055081586 519725678 /nfs/dbraw/zinc/72/56/78/519725678.db2.gz PNOGDDPELPYUNW-UHFFFAOYSA-N 1 0 252.402 2.019 10 30 CEEERO CC[N@H+](CCOc1cccc(C#CCO)c1)CC(C)C ZINC000049617248 521150855 /nfs/dbraw/zinc/15/08/55/521150855.db2.gz MXFKFKWIRGFDTO-UHFFFAOYSA-N 1 0 275.392 2.387 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000069461734 521296169 /nfs/dbraw/zinc/29/61/69/521296169.db2.gz QQEXYPZCHOCNDB-UHFFFAOYSA-N 1 0 276.355 2.397 10 30 CEEERO CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000049105827 522294195 /nfs/dbraw/zinc/29/41/95/522294195.db2.gz KRKBSCSMANGXJV-VXGBXAGGSA-N 1 0 276.355 2.300 10 30 CEEERO C[N@@H+](Cc1ccc(F)c(C#CCCO)c1)CC1CC1 ZINC000049613557 523240346 /nfs/dbraw/zinc/24/03/46/523240346.db2.gz IPUPZRJAKZQYOY-UHFFFAOYSA-N 1 0 261.340 2.401 10 30 CEEERO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049614710 523343515 /nfs/dbraw/zinc/34/35/15/523343515.db2.gz ZXCCEKGUVQBQRB-YOEHRIQHSA-N 1 0 273.376 2.030 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1COC[C@@H]1CCCCO1 ZINC000049610756 523513179 /nfs/dbraw/zinc/51/31/79/523513179.db2.gz VEZFSEYPZSOOPE-INIZCTEOSA-N 1 0 289.375 2.091 10 30 CEEERO CC[C@H](C)C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586947 523822350 /nfs/dbraw/zinc/82/23/50/523822350.db2.gz PHCRUJJRZSYROW-ZDUSSCGKSA-N 1 0 258.365 2.001 10 30 CEEERO COc1ccc(CC[NH3+])c(OCc2cccnc2C#N)c1 ZINC000061663577 523942226 /nfs/dbraw/zinc/94/22/26/523942226.db2.gz QJOZIPAFNGUZTM-UHFFFAOYSA-N 1 0 283.331 2.042 10 30 CEEERO COCC[NH2+]Cc1ccc(OC)cc1OCCCC#N ZINC000062733314 523951332 /nfs/dbraw/zinc/95/13/32/523951332.db2.gz WKJRUWXUKDNEDJ-UHFFFAOYSA-N 1 0 278.352 2.114 10 30 CEEERO CC[C@H](C)[NH+]1CCN(CC[C@@](C)(C#N)NC(C)C)CC1 ZINC000055069995 523954079 /nfs/dbraw/zinc/95/40/79/523954079.db2.gz XQGUVBNWBRQTGK-HOTGVXAUSA-N 1 0 280.460 2.073 10 30 CEEERO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020525 524646386 /nfs/dbraw/zinc/64/63/86/524646386.db2.gz XYESILWNFZVNAL-SNPRPXQTSA-N 1 0 271.364 2.227 10 30 CEEERO C[C@H]([NH3+])c1ccc(NC(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000063098209 524867246 /nfs/dbraw/zinc/86/72/46/524867246.db2.gz HOAWOUWVHMEIMW-QWRGUYRKSA-N 1 0 260.341 2.472 10 30 CEEERO Cc1ccc(NC(=O)c2cncc(C#CC[NH3+])c2)c(C)c1 ZINC000049629224 525253905 /nfs/dbraw/zinc/25/39/05/525253905.db2.gz MBIMASLCZNXLFB-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO Cc1cc(SCc2cc(C#CC[NH3+])cs2)n(C)n1 ZINC000052311572 525436953 /nfs/dbraw/zinc/43/69/53/525436953.db2.gz GLKSOBKIULUJTK-UHFFFAOYSA-N 1 0 277.418 2.393 10 30 CEEERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1ccccc1C#N ZINC000183087312 525526001 /nfs/dbraw/zinc/52/60/01/525526001.db2.gz HEUBZYGQGDSFQL-SLEUVZQESA-N 1 0 287.363 2.042 10 30 CEEERO Cc1nn(Cc2ccc(C#N)cc2F)c(C)c1C[C@H](C)[NH3+] ZINC000062803226 526288549 /nfs/dbraw/zinc/28/85/49/526288549.db2.gz FMIMKJJVDLTSEG-JTQLQIEISA-N 1 0 286.354 2.449 10 30 CEEERO N#CCCCC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000049578678 526444360 /nfs/dbraw/zinc/44/43/60/526444360.db2.gz AVZFZOQXPXSQIQ-UHFFFAOYSA-N 1 0 258.369 2.085 10 30 CEEERO N#C[C@]1(N2CCC[NH2+]CC2)CCCc2sccc21 ZINC000061329718 526515028 /nfs/dbraw/zinc/51/50/28/526515028.db2.gz IZGYWTOTOXAIEC-CQSZACIVSA-N 1 0 261.394 2.099 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061611497 526525030 /nfs/dbraw/zinc/52/50/30/526525030.db2.gz FTOHYZXAFYQXAD-GFCCVEGCSA-N 1 0 283.306 2.378 10 30 CEEERO N#Cc1cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)ccn1 ZINC000068752960 526549499 /nfs/dbraw/zinc/54/94/99/526549499.db2.gz RIBLSQIVNGOUAS-HNNXBMFYSA-N 1 0 265.316 2.047 10 30 CEEERO N#Cc1ccc(Cn2ccnc2C[NH2+]C2CC2)c(F)c1 ZINC000051015113 526636391 /nfs/dbraw/zinc/63/63/91/526636391.db2.gz GUMOFSWLPHWFCC-UHFFFAOYSA-N 1 0 270.311 2.194 10 30 CEEERO N#Cc1ccc(OCCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000052765292 526672558 /nfs/dbraw/zinc/67/25/58/526672558.db2.gz KPEZWEXXIVQDKW-LBPRGKRZSA-N 1 0 275.308 2.377 10 30 CEEERO N#Cc1ccccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610837 526743080 /nfs/dbraw/zinc/74/30/80/526743080.db2.gz PDEYPZYPTSIJPY-AWEZNQCLSA-N 1 0 265.316 2.239 10 30 CEEERO N#Cc1ncccc1C[NH2+]CCc1ccc(F)cc1 ZINC000061656866 526790098 /nfs/dbraw/zinc/79/00/98/526790098.db2.gz CDVCBBZBJHKOCX-UHFFFAOYSA-N 1 0 255.296 2.425 10 30 CEEERO N#Cc1ncccc1COc1ccc(CC[NH3+])cc1 ZINC000061659799 526791184 /nfs/dbraw/zinc/79/11/84/526791184.db2.gz AMJNMRDRXAIONX-UHFFFAOYSA-N 1 0 253.305 2.033 10 30 CEEERO N#Cc1nccnc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702228 526795072 /nfs/dbraw/zinc/79/50/72/526795072.db2.gz BPRQHHLJPHXZDF-AWEZNQCLSA-N 1 0 280.331 2.002 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1COCc1ccco1 ZINC000049610367 527148845 /nfs/dbraw/zinc/14/88/45/527148845.db2.gz YRIBUFMQHVVKJS-UHFFFAOYSA-N 1 0 259.280 2.446 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)NCCc2ccsc2)s1 ZINC000049189254 527148977 /nfs/dbraw/zinc/14/89/77/527148977.db2.gz UWHFZVZCTHWRMB-UHFFFAOYSA-N 1 0 290.413 2.092 10 30 CEEERO [NH3+]CC#Cc1ccc(CN2CCCCCCC2=O)cc1 ZINC000049610001 527149339 /nfs/dbraw/zinc/14/93/39/527149339.db2.gz RYHMEOKIDNJXMI-UHFFFAOYSA-N 1 0 270.376 2.290 10 30 CEEERO [NH3+]CC#Cc1cccc(C(=O)N2Cc3ccccc3C2)c1 ZINC000050913632 527152265 /nfs/dbraw/zinc/15/22/65/527152265.db2.gz UINJFCLPNWOTJX-UHFFFAOYSA-N 1 0 276.339 2.153 10 30 CEEERO OCCC#Cc1ccc(C[N@@H+]2CCCSCC2)c(F)c1 ZINC000049615024 527530003 /nfs/dbraw/zinc/53/00/03/527530003.db2.gz QXTCOUGRTHCBJP-UHFFFAOYSA-N 1 0 293.407 2.499 10 30 CEEERO CN(c1nc(Cl)c(C#N)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000234280518 623540627 /nfs/dbraw/zinc/54/06/27/623540627.db2.gz VHACASAQLHMJMQ-JVHMLUBASA-N 1 0 282.800 2.387 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000235145464 624774024 /nfs/dbraw/zinc/77/40/24/624774024.db2.gz LHZYEDYAFYUEBA-SSDOTTSWSA-N 1 0 270.789 2.232 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000063169543 628576049 /nfs/dbraw/zinc/57/60/49/628576049.db2.gz FVIZKXCIUXLNKJ-ZDUSSCGKSA-N 1 0 274.324 2.045 10 30 CEEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1[NH3+] ZINC000261565949 628939694 /nfs/dbraw/zinc/93/96/94/628939694.db2.gz GGDQINZRJXHPIU-QPUJVOFHSA-N 1 0 269.270 2.360 10 30 CEEERO C[NH2+]CC1CCN(c2nc(C)c(C#N)cc2Cl)CC1 ZINC000261576518 628941004 /nfs/dbraw/zinc/94/10/04/628941004.db2.gz CERYHSGOJUVYCT-UHFFFAOYSA-N 1 0 278.787 2.351 10 30 CEEERO CC(C)C[C@@H](C[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000232610224 628948852 /nfs/dbraw/zinc/94/88/52/628948852.db2.gz YCXNVGTXLSMEFS-ZETCQYMHSA-N 1 0 258.778 2.453 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC(OCC2CC2)CC1 ZINC000261724206 629158736 /nfs/dbraw/zinc/15/87/36/629158736.db2.gz ISVYTEIASCWPIZ-SWLSCSKDSA-N 1 0 279.428 2.251 10 30 CEEERO C=CC[NH+]1CCC(NC(=O)c2cncc3cccnc32)CC1 ZINC000222616243 629183806 /nfs/dbraw/zinc/18/38/06/629183806.db2.gz FXTCFESEWSGNEV-UHFFFAOYSA-N 1 0 296.374 2.010 10 30 CEEERO CCC([NH3+])(CC)CNc1nc2c(cc1C#N)CCC2 ZINC000130055419 652208741 /nfs/dbraw/zinc/20/87/41/652208741.db2.gz AQUBNXYKMCAADD-UHFFFAOYSA-N 1 0 258.369 2.371 10 30 CEEERO N#Cc1cc2ccccc2nc1NC[C@@H]1CC[NH2+]C1 ZINC000133801322 652724965 /nfs/dbraw/zinc/72/49/65/652724965.db2.gz WDRITJXMXSTZAZ-LLVKDONJSA-N 1 0 252.321 2.128 10 30 CEEERO N#Cc1cnc2ccccc2c1NC[C@H]1CC[NH2+]C1 ZINC000133826930 652727513 /nfs/dbraw/zinc/72/75/13/652727513.db2.gz SAXOJMAPHDNFAT-NSHDSACASA-N 1 0 252.321 2.128 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000121349932 365558278 /nfs/dbraw/zinc/55/82/78/365558278.db2.gz YMCYONLLLIRLDP-WOSRLPQWSA-N 1 0 297.345 2.400 10 30 CEEERO Cc1nnc(NC[C@@H]([NH3+])c2ccccc2)c(C#N)c1C ZINC000125485489 187187495 /nfs/dbraw/zinc/18/74/95/187187495.db2.gz ICUQIMWXXAKOEW-CQSZACIVSA-N 1 0 267.336 2.077 10 30 CEEERO CCCN/C(=[NH+]\N)c1ccc(Br)cc1 ZINC000042036046 362057244 /nfs/dbraw/zinc/05/72/44/362057244.db2.gz MJGNNXMHWSWLNO-UHFFFAOYSA-N 1 0 256.147 2.069 10 30 CEEERO C#CCOc1c(C[NH2+]CCCOC)cccc1OCC ZINC000045945964 362171928 /nfs/dbraw/zinc/17/19/28/362171928.db2.gz SWEMLVRCONJGKC-UHFFFAOYSA-N 1 0 277.364 2.223 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000128001244 187345811 /nfs/dbraw/zinc/34/58/11/187345811.db2.gz XPCUVYWMHGIFOY-CQSZACIVSA-N 1 0 288.351 2.387 10 30 CEEERO CC[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000126656805 344325383 /nfs/dbraw/zinc/32/53/83/344325383.db2.gz IPEXFMCDQABCTK-PWSUYJOCSA-N 1 0 274.324 2.030 10 30 CEEERO CC[C@]([NH3+])(CCOCC#N)c1cc([N+](=O)[O-])ccc1F ZINC000139587348 344394613 /nfs/dbraw/zinc/39/46/13/344394613.db2.gz HVWXGNOGKRXVDD-ZDUSSCGKSA-N 1 0 281.287 2.228 10 30 CEEERO CN(Cc1ccc(C#N)c(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000403996242 529983556 /nfs/dbraw/zinc/98/35/56/529983556.db2.gz LGPKKFFIUKVULD-CYBMUJFWSA-N 1 0 261.344 2.081 10 30 CEEERO CC[C@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390774171 344837806 /nfs/dbraw/zinc/83/78/06/344837806.db2.gz LVEXLZSQSPIEJO-DZGCQCFKSA-N 1 0 273.380 2.173 10 30 CEEERO CCO[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405564897 344884800 /nfs/dbraw/zinc/88/48/00/344884800.db2.gz FVSWCBSBFVCFGH-BXUZGUMPSA-N 1 0 279.771 2.012 10 30 CEEERO C=CCNC(=O)CSc1cccc([C@@H](C)[NH2+]C)c1 ZINC000084124807 178798575 /nfs/dbraw/zinc/79/85/75/178798575.db2.gz CLKRZWFVPMWFQK-LLVKDONJSA-N 1 0 264.394 2.361 10 30 CEEERO CC1([NH3+])CCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000591435334 345253058 /nfs/dbraw/zinc/25/30/58/345253058.db2.gz OSFFHDLJMRFQTG-UHFFFAOYSA-N 1 0 251.280 2.154 10 30 CEEERO N#Cc1ccc(NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593233837 345456725 /nfs/dbraw/zinc/45/67/25/345456725.db2.gz XNJOIZTTZCTCQE-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO N#Cc1ncccc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594693844 345673085 /nfs/dbraw/zinc/67/30/85/345673085.db2.gz WKIBBAOSHBWUTN-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1cc(NCC2([NH3+])CCCC2)ccc1[N+](=O)[O-] ZINC000594692226 345673200 /nfs/dbraw/zinc/67/32/00/345673200.db2.gz QAHZYOXDTJJTIM-UHFFFAOYSA-N 1 0 260.297 2.150 10 30 CEEERO N#Cc1cccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000594695258 345673687 /nfs/dbraw/zinc/67/36/87/345673687.db2.gz AZYMPQFHCCETKZ-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000085365856 179036588 /nfs/dbraw/zinc/03/65/88/179036588.db2.gz YPXAJSDWVJJWEH-HUUCEWRRSA-N 1 0 287.363 2.435 10 30 CEEERO C#CCC[NH2+]C[C@H]1Cc2cc(Br)ccc2O1 ZINC000085539761 179092464 /nfs/dbraw/zinc/09/24/64/179092464.db2.gz LEXAHAQASTWLOU-GFCCVEGCSA-N 1 0 280.165 2.366 10 30 CEEERO C[C@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1Br ZINC000600962916 346720368 /nfs/dbraw/zinc/72/03/68/346720368.db2.gz PDYRDWBXKGQYSN-WCBMZHEXSA-N 1 0 280.169 2.247 10 30 CEEERO C[C@@]1(CNc2ccc(C#N)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129319813 365845760 /nfs/dbraw/zinc/84/57/60/365845760.db2.gz XJHLXGQAVIHXAZ-CQSZACIVSA-N 1 0 274.324 2.268 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)s1 ZINC000128510005 187375525 /nfs/dbraw/zinc/37/55/25/187375525.db2.gz AIDXAEYBKFMWHC-LBPRGKRZSA-N 1 0 287.392 2.123 10 30 CEEERO C#CCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@H]1CC ZINC000086176216 179246910 /nfs/dbraw/zinc/24/69/10/179246910.db2.gz QPFYUSLFTHNQMA-IAGOWNOFSA-N 1 0 256.393 2.305 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1cc(C#N)c2ccccc2n1 ZINC000336836602 365906263 /nfs/dbraw/zinc/90/62/63/365906263.db2.gz XCABPEAYZLUJEK-GFCCVEGCSA-N 1 0 268.364 2.458 10 30 CEEERO COC[C@H]([NH2+]Cc1ccccc1OCC#N)C(C)C ZINC000086696918 179320595 /nfs/dbraw/zinc/32/05/95/179320595.db2.gz AVPCFGOEHAJECZ-AWEZNQCLSA-N 1 0 262.353 2.350 10 30 CEEERO CC[C@H](C[NH3+])C(=O)Nc1sc(C)c(C)c1C#N ZINC000087532810 179441627 /nfs/dbraw/zinc/44/16/27/179441627.db2.gz OHPWNMPGKQCRDX-SECBINFHSA-N 1 0 251.355 2.160 10 30 CEEERO COCC[NH2+]C[C@@H]1CCCCN1CCCC(C)(C)C#N ZINC000087607200 179453771 /nfs/dbraw/zinc/45/37/71/179453771.db2.gz PWGWEZUVVVPXQP-HNNXBMFYSA-N 1 0 281.444 2.407 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1F ZINC000404150981 233193220 /nfs/dbraw/zinc/19/32/20/233193220.db2.gz MCRPKQSZSUSBPB-ZFWWWQNUSA-N 1 0 262.328 2.338 10 30 CEEERO CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000089741811 179857484 /nfs/dbraw/zinc/85/74/84/179857484.db2.gz APJCNPQKTSGJBO-LBPRGKRZSA-N 1 0 271.364 2.426 10 30 CEEERO C[C@H](OCCOc1ccc(C#CC[NH3+])cc1)C(F)(F)F ZINC000090673660 180021711 /nfs/dbraw/zinc/02/17/11/180021711.db2.gz WVGNENDYZGBAQQ-NSHDSACASA-N 1 0 287.281 2.343 10 30 CEEERO C[C@@H](OCc1cccc(C#CC[NH3+])c1)C(F)(F)F ZINC000090673659 180021878 /nfs/dbraw/zinc/02/18/78/180021878.db2.gz XHWUWPREVJAVGQ-SNVBAGLBSA-N 1 0 257.255 2.464 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CO[C@@H](C)C(F)(F)F ZINC000090673662 180021892 /nfs/dbraw/zinc/02/18/92/180021892.db2.gz CJIACDGVQQMUTJ-JTQLQIEISA-N 1 0 287.281 2.473 10 30 CEEERO C#CCNC(=O)CSc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000090872568 180049983 /nfs/dbraw/zinc/04/99/83/180049983.db2.gz NINBRLOFDGBSKU-UHFFFAOYSA-N 1 0 290.432 2.416 10 30 CEEERO N#CC1CC[NH+](C[C@@H]2Cc3cc(F)ccc3O2)CC1 ZINC000090893146 180055252 /nfs/dbraw/zinc/05/52/52/180055252.db2.gz JUROIOZJBMKSGL-AWEZNQCLSA-N 1 0 260.312 2.365 10 30 CEEERO CCCN[C@](C)(C#N)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091431200 180153575 /nfs/dbraw/zinc/15/35/75/180153575.db2.gz NRWVRVFHOWUAFM-IRXDYDNUSA-N 1 0 294.487 2.465 10 30 CEEERO C[N@H+](CCCOc1cccc(C#N)c1)CC1CC(O)C1 ZINC000091451698 180158918 /nfs/dbraw/zinc/15/89/18/180158918.db2.gz CXONISMIGLCCCS-UHFFFAOYSA-N 1 0 274.364 2.030 10 30 CEEERO Cc1ccc(NC(=O)c2ccncc2C#CC[NH3+])c(C)c1 ZINC000091460633 180161735 /nfs/dbraw/zinc/16/17/35/180161735.db2.gz SFUCINYXXGKAJX-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO COc1ccc(Cn2cccc2[C@H](C)[NH3+])cc1C#N ZINC000091799808 180259456 /nfs/dbraw/zinc/25/94/56/180259456.db2.gz CUPUEKIRDQWGTL-NSHDSACASA-N 1 0 255.321 2.436 10 30 CEEERO CN(c1ccc(C#N)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000091849482 180271382 /nfs/dbraw/zinc/27/13/82/180271382.db2.gz SFHDFGNMKDXONJ-UHFFFAOYSA-N 1 0 274.324 2.173 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1NC(=O)N1CCCCC1 ZINC000091969678 180295029 /nfs/dbraw/zinc/29/50/29/180295029.db2.gz XGJVTOBDRYJZKS-UHFFFAOYSA-N 1 0 271.364 2.323 10 30 CEEERO C[C@H](NC(=O)N1CCCCC1)c1cccc(C#CC[NH3+])c1 ZINC000091969687 180295146 /nfs/dbraw/zinc/29/51/46/180295146.db2.gz HMVXBNLPFZFCRC-AWEZNQCLSA-N 1 0 285.391 2.253 10 30 CEEERO CC1CCN(C(=O)Nc2ccc(C#CC[NH3+])cc2)CC1 ZINC000091992415 180300610 /nfs/dbraw/zinc/30/06/10/180300610.db2.gz PRGRERSBQIBRJX-UHFFFAOYSA-N 1 0 271.364 2.261 10 30 CEEERO C=C(CC)COc1ccc(C)nc1C[NH2+]CCOC ZINC000091996655 180301804 /nfs/dbraw/zinc/30/18/04/180301804.db2.gz OLNBOMYMUUUHAO-UHFFFAOYSA-N 1 0 264.369 2.471 10 30 CEEERO C[C@@H]1C[NH+](Cc2ccc(C#CCO)cc2F)C[C@H]1C ZINC000092087048 180321647 /nfs/dbraw/zinc/32/16/47/180321647.db2.gz YNPXASZFRULLKV-CHWSQXEVSA-N 1 0 261.340 2.257 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@H]1C=C[C@H]([NH3+])C1 ZINC000092202630 180343483 /nfs/dbraw/zinc/34/34/83/180343483.db2.gz RXPMRJHNCIEXBT-KWQFWETISA-N 1 0 261.712 2.054 10 30 CEEERO Cc1cccc(COc2cccc(C#CC[NH3+])c2)n1 ZINC000092431822 180384192 /nfs/dbraw/zinc/38/41/92/180384192.db2.gz BUJGWPBBYWKQCP-UHFFFAOYSA-N 1 0 252.317 2.279 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccccc1OC(F)(F)F ZINC000092469828 180392716 /nfs/dbraw/zinc/39/27/16/180392716.db2.gz BVKFHOZWWRCGHR-UHFFFAOYSA-N 1 0 274.242 2.299 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(Cl)c1-n1ccnc1 ZINC000092473752 180392854 /nfs/dbraw/zinc/39/28/54/180392854.db2.gz GJLLQASKJZGPLD-UHFFFAOYSA-N 1 0 290.754 2.240 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(-c2cnco2)cc1 ZINC000092474418 180393603 /nfs/dbraw/zinc/39/36/03/180393603.db2.gz KRBPTVUKRTTXDJ-UHFFFAOYSA-N 1 0 257.293 2.056 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(N(C)C(C)C)c(F)c1 ZINC000092473846 180393785 /nfs/dbraw/zinc/39/37/85/180393785.db2.gz CBVCSEJDECXNHL-UHFFFAOYSA-N 1 0 279.359 2.384 10 30 CEEERO CC(C)(C#N)N1CCN(Cc2cccc(F)c2)CC1 ZINC000110513910 186299920 /nfs/dbraw/zinc/29/99/20/186299920.db2.gz DJWOSHGJJRYAHW-UHFFFAOYSA-N 1 0 261.344 2.245 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2cnccn2)cc1 ZINC000110914145 186332579 /nfs/dbraw/zinc/33/25/79/186332579.db2.gz TYMAQGASRAJETI-UHFFFAOYSA-N 1 0 255.346 2.079 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2cnccn2)c(F)c1 ZINC000110914159 186333023 /nfs/dbraw/zinc/33/30/23/186333023.db2.gz CDFKORKGYZIAMV-UHFFFAOYSA-N 1 0 273.336 2.218 10 30 CEEERO CN(c1c(C#N)cnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000110932344 186333465 /nfs/dbraw/zinc/33/34/65/186333465.db2.gz NALBCNGVMQUNBB-ZDUSSCGKSA-N 1 0 266.348 2.295 10 30 CEEERO CCN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000110941192 186334618 /nfs/dbraw/zinc/33/46/18/186334618.db2.gz ULJBMBVJAQSSBH-CQSZACIVSA-N 1 0 272.352 2.164 10 30 CEEERO CCCN(c1nc2c(cc1C#N)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000110948612 186335648 /nfs/dbraw/zinc/33/56/48/186335648.db2.gz ZOPNDKNVKINAMB-OAHLLOKOSA-N 1 0 284.407 2.410 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)[NH3+] ZINC000110958432 186336580 /nfs/dbraw/zinc/33/65/80/186336580.db2.gz UUBJZKULSWCNFW-NWDGAFQWSA-N 1 0 262.353 2.084 10 30 CEEERO C[N@@H+](Cc1cc(C#CCCO)cs1)CC1CCOCC1 ZINC000111168367 186363540 /nfs/dbraw/zinc/36/35/40/186363540.db2.gz TUFHGJMWKHLDOK-UHFFFAOYSA-N 1 0 293.432 2.340 10 30 CEEERO COc1ccc(CSc2ccncn2)cc1C#CC[NH3+] ZINC000111114969 186353956 /nfs/dbraw/zinc/35/39/56/186353956.db2.gz SLXOTNPBUFYYOY-UHFFFAOYSA-N 1 0 285.372 2.088 10 30 CEEERO CC(C)N1C[C@H]([NH2+]Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000154089320 188122481 /nfs/dbraw/zinc/12/24/81/188122481.db2.gz FOOSOWDAPRLCOZ-FZMZJTMJSA-N 1 0 263.410 2.438 10 30 CEEERO N#Cc1c(Br)cccc1N1CCC[C@H](C[NH3+])C1 ZINC000169058862 283072420 /nfs/dbraw/zinc/07/24/20/283072420.db2.gz YYMSOTMXDJKJNP-SNVBAGLBSA-N 1 0 294.196 2.496 10 30 CEEERO N#Cc1cc(Br)ccc1N1CCC([NH3+])CC1 ZINC000161812999 283086853 /nfs/dbraw/zinc/08/68/53/283086853.db2.gz MCGQMJACACUZCG-UHFFFAOYSA-N 1 0 280.169 2.248 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000261578374 283097297 /nfs/dbraw/zinc/09/72/97/283097297.db2.gz DFSFNEJFOIGEHU-OPQQBVKSSA-N 1 0 263.291 2.010 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133672238 366247119 /nfs/dbraw/zinc/24/71/19/366247119.db2.gz BOHPGWSYNPUIPI-SNVBAGLBSA-N 1 0 251.280 2.025 10 30 CEEERO C[C@H]([NH2+]CC(=O)NCC#N)c1ccc(C(C)(C)C)cc1 ZINC000154369071 366770685 /nfs/dbraw/zinc/77/06/85/366770685.db2.gz QIKLCDSLWSWGJP-LBPRGKRZSA-N 1 0 273.380 2.274 10 30 CEEERO C#CC[NH2+][C@@H](C)Cc1cccc(OC(=O)N(C)CC)c1 ZINC000013492336 361429261 /nfs/dbraw/zinc/42/92/61/361429261.db2.gz RLJGNKUWFSRASJ-ZDUSSCGKSA-N 1 0 274.364 2.291 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1ccc(C#N)cc1 ZINC000092628693 364090240 /nfs/dbraw/zinc/09/02/40/364090240.db2.gz LWZFSKRULDSSFA-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO CS(=O)(=O)OCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000095076611 364333413 /nfs/dbraw/zinc/33/34/13/364333413.db2.gz RTAULRCETRSRQQ-HNNXBMFYSA-N 1 0 297.420 2.265 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccccc1Cl ZINC000095081776 364334906 /nfs/dbraw/zinc/33/49/06/364334906.db2.gz MUWPCAJRGHXLEL-SNVBAGLBSA-N 1 0 252.745 2.293 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(CC#N)cc1 ZINC000335747016 364924199 /nfs/dbraw/zinc/92/41/99/364924199.db2.gz OCPOBHZHVPVUSU-RHSMWYFYSA-N 1 0 269.392 2.421 10 30 CEEERO N#Cc1cccc(OCCN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000246168330 370919874 /nfs/dbraw/zinc/91/98/74/370919874.db2.gz JAXAJNXWEIFULM-INIZCTEOSA-N 1 0 285.391 2.107 10 30 CEEERO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)c(F)c1 ZINC000227597804 370374543 /nfs/dbraw/zinc/37/45/43/370374543.db2.gz RIJSKROUPSWSGS-HIFRSBDPSA-N 1 0 262.328 2.338 10 30 CEEERO C=CC(C)(C)CCNC(=O)[C@@H]1C[NH2+]C[C@H]1C(F)(F)F ZINC000638455556 370543238 /nfs/dbraw/zinc/54/32/38/370543238.db2.gz XSWINOVTAAOSGO-NXEZZACHSA-N 1 0 278.318 2.103 10 30 CEEERO C#Cc1cccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000247369496 371098748 /nfs/dbraw/zinc/09/87/48/371098748.db2.gz RRPICIHEAZHDTC-CJNGLKHVSA-N 1 0 283.375 2.368 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000248005369 371153988 /nfs/dbraw/zinc/15/39/88/371153988.db2.gz KTSZLNVWJMYAQI-ZIAGYGMSSA-N 1 0 268.426 2.260 10 30 CEEERO Cc1nc(N(C)CC(C)(C)C[NH3+])c(Cl)cc1C#N ZINC000261574290 371655544 /nfs/dbraw/zinc/65/55/44/371655544.db2.gz MRXSTPGHAAMTRB-UHFFFAOYSA-N 1 0 266.776 2.336 10 30 CEEERO N#Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382469911 375187984 /nfs/dbraw/zinc/18/79/84/375187984.db2.gz OZFWRCHHOHHBGM-ONGXEEELSA-N 1 0 260.297 2.006 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1NC(=O)CC(F)(F)F ZINC000037552035 184539854 /nfs/dbraw/zinc/53/98/54/184539854.db2.gz DXYIXSRYTOYMFU-UHFFFAOYSA-N 1 0 270.254 2.196 10 30 CEEERO C=CCNC(=O)CSc1ccc([C@H](C)[NH2+]C)cc1 ZINC000079579323 184594048 /nfs/dbraw/zinc/59/40/48/184594048.db2.gz UFUSGFUWWKQNSM-NSHDSACASA-N 1 0 264.394 2.361 10 30 CEEERO N#Cc1cc2c(nc1O[C@@H]1CCC[C@H]([NH3+])C1)CCCC2 ZINC000093219921 184656931 /nfs/dbraw/zinc/65/69/31/184656931.db2.gz ONCWJUARXMDBOD-UONOGXRCSA-N 1 0 271.364 2.481 10 30 CEEERO C=CCN1C(N)=[NH+]CC12CCC(C(F)(F)F)CC2 ZINC000093375388 184668032 /nfs/dbraw/zinc/66/80/32/184668032.db2.gz GXUSDUYXVPFYHJ-UHFFFAOYSA-N 1 0 261.291 2.294 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@]12CCCc1cc(OC)ccc12 ZINC000093375074 184668203 /nfs/dbraw/zinc/66/82/03/184668203.db2.gz QPQNVCBEQLEMEN-INIZCTEOSA-N 1 0 271.364 2.043 10 30 CEEERO C=CCN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2Cc1cccs1 ZINC000248036197 256693053 /nfs/dbraw/zinc/69/30/53/256693053.db2.gz ZAHPTFBJLCTNAO-OLZOCXBDSA-N 1 0 262.378 2.109 10 30 CEEERO N#Cc1ccc(O[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000094593560 184823400 /nfs/dbraw/zinc/82/34/00/184823400.db2.gz NMQGSNPDRZVMIM-BXUZGUMPSA-N 1 0 275.308 2.363 10 30 CEEERO CC(C)C[C@@H](C[NH3+])C(=O)N(CCC#N)CC(C)C ZINC000094698891 184842772 /nfs/dbraw/zinc/84/27/72/184842772.db2.gz LPKXYXVBZDBUGH-ZDUSSCGKSA-N 1 0 253.390 2.006 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000046406858 394511267 /nfs/dbraw/zinc/51/12/67/394511267.db2.gz FQGAEOMVZHRMFV-CQSZACIVSA-N 1 0 286.335 2.141 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152277498 394991665 /nfs/dbraw/zinc/99/16/65/394991665.db2.gz IXUWWOTUJHVXPQ-CQSZACIVSA-N 1 0 277.393 2.182 10 30 CEEERO C#CCCCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000155023996 395026025 /nfs/dbraw/zinc/02/60/25/395026025.db2.gz QRGUPFJCDJTUHV-HUUCEWRRSA-N 1 0 277.412 2.058 10 30 CEEERO C=CCNC(=O)CN1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195381751 395465594 /nfs/dbraw/zinc/46/55/94/395465594.db2.gz HOKKPSCLGMYNRA-GFCCVEGCSA-N 1 0 293.436 2.187 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000567922863 395542900 /nfs/dbraw/zinc/54/29/00/395542900.db2.gz RVOZSNFDVKJCML-GARJFASQSA-N 1 0 291.317 2.245 10 30 CEEERO N#Cc1cc(F)ccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000193724520 153242850 /nfs/dbraw/zinc/24/28/50/153242850.db2.gz AFZWOQQSQXVQGB-CYBMUJFWSA-N 1 0 288.326 2.009 10 30 CEEERO N#Cc1ccc(NC[C@@H]2[NH2+]CCc3ccccc32)cn1 ZINC000261802878 153844396 /nfs/dbraw/zinc/84/43/96/153844396.db2.gz ROAKOIQMUVKWQY-INIZCTEOSA-N 1 0 264.332 2.252 10 30 CEEERO CC(C)OC(=N)NC(=[NH2+])Nc1ccc(Cl)cc1 ZINC000005760662 170137801 /nfs/dbraw/zinc/13/78/01/170137801.db2.gz DNOPFQKNFAGKHO-UHFFFAOYSA-N 1 0 254.721 2.026 10 30 CEEERO C=CCOc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000032111329 171703862 /nfs/dbraw/zinc/70/38/62/171703862.db2.gz QDQQIAQKVHMEJV-UHFFFAOYSA-N 1 0 260.337 2.190 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)C[NH2+]C1CCCC1 ZINC000037495918 173236119 /nfs/dbraw/zinc/23/61/19/173236119.db2.gz GQOJOSIWWFRECE-UHFFFAOYSA-N 1 0 275.352 2.054 10 30 CEEERO CN(c1cccc(F)c1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747291 174392610 /nfs/dbraw/zinc/39/26/10/174392610.db2.gz HWGMELLNJZHAKK-FOSCPWQOSA-N 1 0 259.328 2.417 10 30 CEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C(C)C ZINC000661117103 415103472 /nfs/dbraw/zinc/10/34/72/415103472.db2.gz OHXIQLIBPZXGTA-QWHCGFSZSA-N 1 0 263.389 2.479 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CCC#N)C(C)C ZINC000043348349 175018621 /nfs/dbraw/zinc/01/86/21/175018621.db2.gz NNCXYJAJGNLSDI-HUUCEWRRSA-N 1 0 260.385 2.484 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355753 175023398 /nfs/dbraw/zinc/02/33/98/175023398.db2.gz UHCGYIADQRJHGK-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO N#Cc1cc2c(nc1NC[C@@H]1CCC[NH2+]C1)CCCC2 ZINC000044503057 175186260 /nfs/dbraw/zinc/18/62/60/175186260.db2.gz OZVBYYWTCPNVHS-GFCCVEGCSA-N 1 0 270.380 2.244 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000045091832 175305749 /nfs/dbraw/zinc/30/57/49/175305749.db2.gz UUZJCVRCEXDBSM-UHFFFAOYSA-N 1 0 258.365 2.115 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](C)[C@@H](C)COC ZINC000045314646 175357193 /nfs/dbraw/zinc/35/71/93/175357193.db2.gz YFDIOAGECPCYOS-UONOGXRCSA-N 1 0 255.406 2.015 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045314337 175357245 /nfs/dbraw/zinc/35/72/45/175357245.db2.gz NZWSDLDLFVGPGX-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](CC)[C@@H](C)COC ZINC000045314254 175357333 /nfs/dbraw/zinc/35/73/33/175357333.db2.gz XWMLIEHAHAZCJM-LSDHHAIUSA-N 1 0 269.433 2.405 10 30 CEEERO CN[C@](C)(C#N)CCCC[N@H+](CCOC)CC(C)C ZINC000045315011 175357421 /nfs/dbraw/zinc/35/74/21/175357421.db2.gz JOSINAYNCSELJD-HNNXBMFYSA-N 1 0 269.433 2.263 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCC[NH+]1CCN(C2CC2)CC1 ZINC000045320521 175359101 /nfs/dbraw/zinc/35/91/01/175359101.db2.gz LZPXTRAZCHAWJU-QGZVFWFLSA-N 1 0 292.471 2.217 10 30 CEEERO C[NH2+][C@H](C)c1cc(F)ccc1N(CCC#N)CCOC ZINC000071226010 176089615 /nfs/dbraw/zinc/08/96/15/176089615.db2.gz FZYNZDZFKUWMMV-GFCCVEGCSA-N 1 0 279.359 2.473 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)NC2CCCCC2)s1 ZINC000071323038 176123259 /nfs/dbraw/zinc/12/32/59/176123259.db2.gz SDINITSJVHGGGS-UHFFFAOYSA-N 1 0 291.420 2.190 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)Nc2ccccc2)c1 ZINC000071323008 176123503 /nfs/dbraw/zinc/12/35/03/176123503.db2.gz ODIKNDNYGOHOTK-UHFFFAOYSA-N 1 0 285.372 2.380 10 30 CEEERO CCCN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071332744 176126106 /nfs/dbraw/zinc/12/61/06/176126106.db2.gz RUIVBIPYYUHAFA-CYBMUJFWSA-N 1 0 274.324 2.045 10 30 CEEERO Cc1sc(=O)n(Cc2ccc(C#CC[NH3+])cc2F)c1C ZINC000071351738 176135139 /nfs/dbraw/zinc/13/51/39/176135139.db2.gz HBMBSNHBSBFSPD-UHFFFAOYSA-N 1 0 290.363 2.024 10 30 CEEERO CC(C)[NH2+]CCOc1nc2ccccc2cc1C#N ZINC000071386328 176147403 /nfs/dbraw/zinc/14/74/03/176147403.db2.gz CRQHAOHTAIKESK-UHFFFAOYSA-N 1 0 255.321 2.483 10 30 CEEERO C[NH+](C)CCN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680927 176245073 /nfs/dbraw/zinc/24/50/73/176245073.db2.gz XZBYRHIHGOWSMK-LBPRGKRZSA-N 1 0 297.280 2.287 10 30 CEEERO CC[NH+](CC)CCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000076853480 177121375 /nfs/dbraw/zinc/12/13/75/177121375.db2.gz IVTUDTZLTMLMOX-UHFFFAOYSA-N 1 0 263.297 2.187 10 30 CEEERO C[C@H](CC[NH3+])CCC(=O)N(CCC#N)Cc1cccnc1 ZINC000079079286 177429688 /nfs/dbraw/zinc/42/96/88/177429688.db2.gz SDQROKZEVSXYCE-AWEZNQCLSA-N 1 0 288.395 2.089 10 30 CEEERO CC(C)[C@@H](CC[NH3+])CCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000079278562 177462588 /nfs/dbraw/zinc/46/25/88/177462588.db2.gz SPAOSITZPKZVQJ-MGPQQGTHSA-N 1 0 265.401 2.196 10 30 CEEERO CC[NH+]=C(NCc1cnn(C)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156089866 260779281 /nfs/dbraw/zinc/77/92/81/260779281.db2.gz CBHVIVLFCYLWPV-GASCZTMLSA-N 1 0 289.427 2.008 10 30 CEEERO C=C(C)C[NH+]1CCC(NC(=O)N(CC)CC)CC1 ZINC000106341159 261835201 /nfs/dbraw/zinc/83/52/01/261835201.db2.gz WWJQUNPIKWGWJA-UHFFFAOYSA-N 1 0 253.390 2.078 10 30 CEEERO CC[C@@H]1CCC[C@@H](NC(NCCn2cc(C)cn2)=[NH+]C)C1 ZINC000131806967 264383006 /nfs/dbraw/zinc/38/30/06/264383006.db2.gz GYEDMRCOVJVIRG-HUUCEWRRSA-N 1 0 291.443 2.325 10 30 CEEERO CC1(C)CN(c2c(C#N)cnc3ccccc32)CC[NH2+]1 ZINC000212962719 273584763 /nfs/dbraw/zinc/58/47/63/273584763.db2.gz BLTJQAATBSQXRN-UHFFFAOYSA-N 1 0 266.348 2.295 10 30 CEEERO CC[NH+](CC)[C@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000156580137 273642790 /nfs/dbraw/zinc/64/27/90/273642790.db2.gz XBAVEJUOFPTBBT-AWEZNQCLSA-N 1 0 272.396 2.491 10 30 CEEERO C[C@@H]1CCN(C(=O)Nc2ccc(C#N)cc2)[C@@H](C[NH3+])C1 ZINC000235304364 274298635 /nfs/dbraw/zinc/29/86/35/274298635.db2.gz CMBVPDOCDKWYNU-BXUZGUMPSA-N 1 0 272.352 2.149 10 30 CEEERO C[C@@]1(C[NH3+])CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000261877599 278121662 /nfs/dbraw/zinc/12/16/62/278121662.db2.gz ZVPPZDLIUSDCDT-INIZCTEOSA-N 1 0 270.380 2.007 10 30 CEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(C#N)nn1 ZINC000302014221 278242049 /nfs/dbraw/zinc/24/20/49/278242049.db2.gz LCXZCCGBQKQMLH-ZDUSSCGKSA-N 1 0 281.363 2.281 10 30 CEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922321 278306053 /nfs/dbraw/zinc/30/60/53/278306053.db2.gz BNNFUUBFZGJQPP-PBHICJAKSA-N 1 0 285.391 2.026 10 30 CEEERO C[C@@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@H]1[NH3+] ZINC000251855496 278798656 /nfs/dbraw/zinc/79/86/56/278798656.db2.gz RXIWWPMBWKQHIG-PRHODGIISA-N 1 0 251.280 2.010 10 30 CEEERO C[C@H]1CN(c2cccc(Br)c2C#N)CC[C@H]1[NH3+] ZINC000253267880 279884243 /nfs/dbraw/zinc/88/42/43/279884243.db2.gz YLTBXYYUTNPUOF-JOYOIKCWSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000229608356 280048935 /nfs/dbraw/zinc/04/89/35/280048935.db2.gz WBOHCEFIADKQJG-BXUZGUMPSA-N 1 0 270.380 2.384 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1C#N ZINC000245441564 280240169 /nfs/dbraw/zinc/24/01/69/280240169.db2.gz VNDZHJIDNOMZAQ-IRXDYDNUSA-N 1 0 299.418 2.496 10 30 CEEERO C=CCSCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000174421537 329158834 /nfs/dbraw/zinc/15/88/34/329158834.db2.gz VRNLQVFMYRHYLN-UONOGXRCSA-N 1 0 297.468 2.174 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179101961 329205499 /nfs/dbraw/zinc/20/54/99/329205499.db2.gz JIZFQDSCLHSXTC-RWMBFGLXSA-N 1 0 295.427 2.024 10 30 CEEERO C=CCSCC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186395562 329343763 /nfs/dbraw/zinc/34/37/63/329343763.db2.gz BIXFKYULAXZQMD-UONOGXRCSA-N 1 0 285.453 2.469 10 30 CEEERO C=CC[N@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190507259 329398911 /nfs/dbraw/zinc/39/89/11/329398911.db2.gz NHSYEQRAOQTDJY-CQSZACIVSA-N 1 0 282.428 2.300 10 30 CEEERO CC1(C)C[C@H]1NC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000262020172 329998057 /nfs/dbraw/zinc/99/80/57/329998057.db2.gz XRPPLQBXVZHVKR-CQSZACIVSA-N 1 0 290.386 2.061 10 30 CEEERO Cc1nn(-c2ccccc2)cc1CNC(=[NH2+])NCC1CCC1 ZINC000262241966 330002555 /nfs/dbraw/zinc/00/25/55/330002555.db2.gz OWFSKBAXFNKRAL-UHFFFAOYSA-N 1 0 297.406 2.385 10 30 CEEERO Cc1sc(CNC(=[NH2+])NC2CC2)nc1C(C)C ZINC000262326028 330006093 /nfs/dbraw/zinc/00/60/93/330006093.db2.gz UCXMOAKZFKBYGC-UHFFFAOYSA-N 1 0 252.387 2.142 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000262475566 330016134 /nfs/dbraw/zinc/01/61/34/330016134.db2.gz ZRKFJIUZWJLFPR-HIAZDOBYSA-N 1 0 279.334 2.394 10 30 CEEERO CC(C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000262479475 330016655 /nfs/dbraw/zinc/01/66/55/330016655.db2.gz RCGNDNUBESSSTJ-NWDGAFQWSA-N 1 0 283.322 2.457 10 30 CEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000262536871 330020174 /nfs/dbraw/zinc/02/01/74/330020174.db2.gz PZTVGWNEURUVDA-SKDRFNHKSA-N 1 0 265.307 2.301 10 30 CEEERO CCCOC1(CNC2=[NH+]C[C@H](C)N2)CCCCC1 ZINC000262670987 330025911 /nfs/dbraw/zinc/02/59/11/330025911.db2.gz QYMPUXOLTXUYBG-LBPRGKRZSA-N 1 0 253.390 2.053 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CC12CC2 ZINC000263204986 330048933 /nfs/dbraw/zinc/04/89/33/330048933.db2.gz YAHPIAUEKYNTEB-LBPRGKRZSA-N 1 0 259.353 2.360 10 30 CEEERO C[C@@H]1C[NH+]=C(NCc2cc(Cl)sc2Cl)N1 ZINC000262679429 334564061 /nfs/dbraw/zinc/56/40/61/334564061.db2.gz VLTRQBALDFDVHA-RXMQYKEDSA-N 1 0 264.181 2.492 10 30 CEEERO C=C[C@H](C)Oc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731965 519300987 /nfs/dbraw/zinc/30/09/87/519300987.db2.gz RUHXJFKRBLQERN-LBPRGKRZSA-N 1 0 265.353 2.385 10 30 CEEERO CC(C)CC[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049614896 519650436 /nfs/dbraw/zinc/65/04/36/519650436.db2.gz HYAAGWZDDHIDKP-UHFFFAOYSA-N 1 0 275.392 2.387 10 30 CEEERO CC(C)C[N@H+](CCN(C)C)[C@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068612282 519716894 /nfs/dbraw/zinc/71/68/94/519716894.db2.gz JJGPTFSNFNLJII-WBVHZDCISA-N 1 0 294.487 2.319 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614941 519735857 /nfs/dbraw/zinc/73/58/57/519735857.db2.gz DMQYWLKQNAPMSZ-BZUAXINKSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@@H](C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000062369199 519985522 /nfs/dbraw/zinc/98/55/22/519985522.db2.gz JDHMTUGDIABROT-MRXNPFEDSA-N 1 0 257.381 2.327 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611601 520031304 /nfs/dbraw/zinc/03/13/04/520031304.db2.gz SJCKKHHDGYCSKR-GOEBONIOSA-N 1 0 280.460 2.073 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C#N)c1ccccc1 ZINC000061615023 519337430 /nfs/dbraw/zinc/33/74/30/519337430.db2.gz MZESPNTUVIMCQO-CVEARBPZSA-N 1 0 287.407 2.386 10 30 CEEERO CC#CCOc1ccc(C[NH2+]CCC)cc1[N+](=O)[O-] ZINC000051662359 519343991 /nfs/dbraw/zinc/34/39/91/519343991.db2.gz STQUOZCSXZNSJA-UHFFFAOYSA-N 1 0 262.309 2.497 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616438 519739311 /nfs/dbraw/zinc/73/93/11/519739311.db2.gz OXKHVWUEYBQLFK-ZBFHGGJFSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616557 519739364 /nfs/dbraw/zinc/73/93/64/519739364.db2.gz PXNTYVPONPOIQY-ZBFHGGJFSA-N 1 0 281.444 2.404 10 30 CEEERO CC(C)C[C@@H](C[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C#N ZINC000050442487 519776352 /nfs/dbraw/zinc/77/63/52/519776352.db2.gz RDYSLKZHRSIRRV-LBPRGKRZSA-N 1 0 291.355 2.250 10 30 CEEERO CCCCC[C@@H](C)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629635 520286035 /nfs/dbraw/zinc/28/60/35/520286035.db2.gz BSZAAOYUUSTWAQ-CYBMUJFWSA-N 1 0 273.380 2.090 10 30 CEEERO CCCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000050891003 521146984 /nfs/dbraw/zinc/14/69/84/521146984.db2.gz KTMUSMIFSIAOCG-LBPRGKRZSA-N 1 0 276.355 2.444 10 30 CEEERO CCC[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049617708 521485681 /nfs/dbraw/zinc/48/56/81/521485681.db2.gz GJDGNPVZAUECAP-UHFFFAOYSA-N 1 0 261.365 2.141 10 30 CEEERO CC[NH+]1CCC(CNC(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615301 521551979 /nfs/dbraw/zinc/55/19/79/521551979.db2.gz NPJHTTKMNGJVAN-MRXNPFEDSA-N 1 0 285.391 2.142 10 30 CEEERO CCCN(Cc1cccnc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000061659575 521691133 /nfs/dbraw/zinc/69/11/33/521691133.db2.gz YPQTUYKMTVQYII-XYPWUTKMSA-N 1 0 284.407 2.448 10 30 CEEERO CC[C@@H](C#N)Oc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731974 521801771 /nfs/dbraw/zinc/80/17/71/521801771.db2.gz IHKZPSSTVXVPHR-ZDUSSCGKSA-N 1 0 278.352 2.112 10 30 CEEERO CC[C@@H](C)C(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586767 521918589 /nfs/dbraw/zinc/91/85/89/521918589.db2.gz WTSROPIUDJBWJI-OLZOCXBDSA-N 1 0 258.365 2.220 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000049105844 522357751 /nfs/dbraw/zinc/35/77/51/522357751.db2.gz RIKVLAQMRXQGFH-NEPJUHHUSA-N 1 0 276.355 2.300 10 30 CEEERO COC1CC[NH+](Cc2cccc(C#CCCO)c2)CC1 ZINC000049618110 522705235 /nfs/dbraw/zinc/70/52/35/522705235.db2.gz YJJWXCVXDKIKHT-UHFFFAOYSA-N 1 0 273.376 2.031 10 30 CEEERO COCC1CC[NH+]([C@H](C)C[C@](C)(C#N)NC(C)C)CC1 ZINC000068616645 522938236 /nfs/dbraw/zinc/93/82/36/522938236.db2.gz XTUZPOWSEDCTSM-GDBMZVCRSA-N 1 0 281.444 2.404 10 30 CEEERO CC[C@H]1CCC[C@H](NC(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000068594059 523139730 /nfs/dbraw/zinc/13/97/30/523139730.db2.gz FWUUZCZJJDKMDO-BBRMVZONSA-N 1 0 285.391 2.090 10 30 CEEERO CC[C@@]1(C(=O)Nc2ccccc2C#N)CCC[NH2+]C1 ZINC000062852455 523699952 /nfs/dbraw/zinc/69/99/52/523699952.db2.gz CBLOBMOBUJBPMH-OAHLLOKOSA-N 1 0 257.337 2.277 10 30 CEEERO CC[C@H](C#N)Oc1ccc(OC)cc1C[NH2+]CCOC ZINC000062727762 523750982 /nfs/dbraw/zinc/75/09/82/523750982.db2.gz SPDUMNICMALDEZ-CYBMUJFWSA-N 1 0 278.352 2.112 10 30 CEEERO COc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1C#CCCO ZINC000049613594 524036191 /nfs/dbraw/zinc/03/61/91/524036191.db2.gz FALOFCRDPIYARI-CQSZACIVSA-N 1 0 273.376 2.271 10 30 CEEERO C[C@H]1CCC[N@@H+]1CCOc1cccc(C#CCCO)c1 ZINC000049615183 524119565 /nfs/dbraw/zinc/11/95/65/524119565.db2.gz CFVXECNIZUCJAQ-HNNXBMFYSA-N 1 0 273.376 2.284 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@H](C)[C@@H]2C[NH3+])n1 ZINC000070178419 524214112 /nfs/dbraw/zinc/21/41/12/524214112.db2.gz LORDGHAPKSLCGR-HZMBPMFUSA-N 1 0 258.369 2.134 10 30 CEEERO C[C@H](CN1CCCC1)[NH2+]Cc1cccc(OCC#N)c1 ZINC000049150682 524316874 /nfs/dbraw/zinc/31/68/74/524316874.db2.gz PNIFRVJGPUTPEJ-CQSZACIVSA-N 1 0 273.380 2.163 10 30 CEEERO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049616624 525382625 /nfs/dbraw/zinc/38/26/25/525382625.db2.gz ZPTCWGLIGUCQNT-IYBDPMFKSA-N 1 0 287.403 2.387 10 30 CEEERO Cc1ccsc1C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586543 525823526 /nfs/dbraw/zinc/82/35/26/525823526.db2.gz WZGLFWNFCUYPHP-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049618513 526205293 /nfs/dbraw/zinc/20/52/93/526205293.db2.gz STWIPYQQCPOOEI-GFCCVEGCSA-N 1 0 261.340 2.400 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])[C@H]1C ZINC000050568527 526267121 /nfs/dbraw/zinc/26/71/21/526267121.db2.gz WWRDVXWZVJPQEI-STQMWFEESA-N 1 0 288.366 2.397 10 30 CEEERO N#Cc1cc(NC(=O)CCC2CC[NH2+]CC2)ccc1F ZINC000051638412 526565409 /nfs/dbraw/zinc/56/54/09/526565409.db2.gz VEBKJVLHKHZTCS-UHFFFAOYSA-N 1 0 275.327 2.416 10 30 CEEERO N#Cc1cc2c(nc1N1CCCC[C@H]1CC[NH3+])CCC2 ZINC000070150320 526578870 /nfs/dbraw/zinc/57/88/70/526578870.db2.gz SPMJGWWOBXXYJO-AWEZNQCLSA-N 1 0 270.380 2.150 10 30 CEEERO [NH3+]CC#Cc1cc(COc2ccc(CO)cc2)ccc1F ZINC000049611150 527147147 /nfs/dbraw/zinc/14/71/47/527147147.db2.gz WSVNVICILBCQER-UHFFFAOYSA-N 1 0 285.318 2.207 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)Cc2ccccn2)c1 ZINC000061691953 527150210 /nfs/dbraw/zinc/15/02/10/527150210.db2.gz MTQWOQQBGMQWTF-UHFFFAOYSA-N 1 0 299.761 2.226 10 30 CEEERO Cc1ncsc1C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586950 527475127 /nfs/dbraw/zinc/47/51/27/527475127.db2.gz GROUYSICPIUHCD-UHFFFAOYSA-N 1 0 299.399 2.034 10 30 CEEERO C[NH2+][C@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000088191979 536415249 /nfs/dbraw/zinc/41/52/49/536415249.db2.gz LNGKNMBFXPGHEH-LBPRGKRZSA-N 1 0 297.280 2.292 10 30 CEEERO C[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)[C@@H]1C[NH3+] ZINC000235325164 625313886 /nfs/dbraw/zinc/31/38/86/625313886.db2.gz HLNBFVQEKNWODO-HTQZYQBOSA-N 1 0 270.789 2.232 10 30 CEEERO N#Cc1ccccc1/C=C\C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255668227 625367780 /nfs/dbraw/zinc/36/77/80/625367780.db2.gz RSXPWSJGGZETHQ-JJEJIETFSA-N 1 0 295.386 2.268 10 30 CEEERO C#CCCCCNC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000160816105 623502130 /nfs/dbraw/zinc/50/21/30/623502130.db2.gz HNEVPZFYQFSRRQ-CQSZACIVSA-N 1 0 267.417 2.065 10 30 CEEERO C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093216187 623583579 /nfs/dbraw/zinc/58/35/79/623583579.db2.gz CTGCCKVWLYFQBF-STQMWFEESA-N 1 0 266.385 2.435 10 30 CEEERO N#Cc1sc(N[C@H]2CCC[C@@H]2C[NH3+])nc1Cl ZINC000236217086 625910623 /nfs/dbraw/zinc/91/06/23/625910623.db2.gz HWUHSLJPLOAQJV-RQJHMYQMSA-N 1 0 256.762 2.207 10 30 CEEERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CC[C@H]1[NH3+] ZINC000251524113 628964369 /nfs/dbraw/zinc/96/43/69/628964369.db2.gz ABUMILFGWCCQJN-ZWNOBZJWSA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)(C(=O)N[C@H]1CCC[C@@H]1C#N)[NH+]1CCCCC1 ZINC000906900433 636884229 /nfs/dbraw/zinc/88/42/29/636884229.db2.gz HMRAEFMJOZUSTB-OLZOCXBDSA-N 1 0 263.385 2.059 10 30 CEEERO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000163661892 639322733 /nfs/dbraw/zinc/32/27/33/639322733.db2.gz RDDFWZZKYJJMJU-MFKMUULPSA-N 1 0 292.766 2.453 10 30 CEEERO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000163662003 639323383 /nfs/dbraw/zinc/32/33/83/639323383.db2.gz RDDFWZZKYJJMJU-GWCFXTLKSA-N 1 0 292.766 2.453 10 30 CEEERO C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000127845871 187336492 /nfs/dbraw/zinc/33/64/92/187336492.db2.gz GAZLGBSHBMRHBZ-GHMZBOCLSA-N 1 0 274.324 2.266 10 30 CEEERO C[C@]1(CNc2cccc(C#N)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000126668117 187254920 /nfs/dbraw/zinc/25/49/20/187254920.db2.gz HHNHNNQXVSEGSO-AWEZNQCLSA-N 1 0 274.324 2.268 10 30 CEEERO C[C@H]([NH3+])[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000156544744 344442597 /nfs/dbraw/zinc/44/25/97/344442597.db2.gz IBXAXLIDWZOESI-TVQRCGJNSA-N 1 0 299.296 2.129 10 30 CEEERO CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000158825149 344452503 /nfs/dbraw/zinc/45/25/03/344452503.db2.gz ZFXVKZHMNUPEOL-OAHLLOKOSA-N 1 0 294.420 2.356 10 30 CEEERO C#CC[C@@H]([NH3+])c1ccc(I)cc1 ZINC000168538785 344480555 /nfs/dbraw/zinc/48/05/55/344480555.db2.gz FRZONGUOQLFOGF-SNVBAGLBSA-N 1 0 271.101 2.314 10 30 CEEERO Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)cc(C#N)n1 ZINC000308241165 344726816 /nfs/dbraw/zinc/72/68/16/344726816.db2.gz OMUCZWJPXJPXOI-INIZCTEOSA-N 1 0 270.380 2.230 10 30 CEEERO N#Cc1ccc(NCCC2(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000404531198 344881370 /nfs/dbraw/zinc/88/13/70/344881370.db2.gz YQFFHXGQMKZPNS-UHFFFAOYSA-N 1 0 260.297 2.007 10 30 CEEERO C=C[C@H](CCOC)[NH2+]CCOc1ccccc1OC ZINC000584620592 344966892 /nfs/dbraw/zinc/96/68/92/344966892.db2.gz WSLYYLGAZUBWAS-CYBMUJFWSA-N 1 0 265.353 2.255 10 30 CEEERO CC[NH2+]CC/N=C/c1cccc(Br)c1O ZINC000584624374 344967669 /nfs/dbraw/zinc/96/76/69/344967669.db2.gz BMWBWZYFZYIGFK-RIYZIHGNSA-N 1 0 271.158 2.183 10 30 CEEERO CC(C)(C#N)CCC[NH+]1CCN(c2ccc(N)nc2)CC1 ZINC000087599507 534982683 /nfs/dbraw/zinc/98/26/83/534982683.db2.gz SOXOFHOIBMLCCU-UHFFFAOYSA-N 1 0 287.411 2.116 10 30 CEEERO CC1([NH3+])CCN(c2ncc(Br)cc2C#N)CC1 ZINC000591434651 345253071 /nfs/dbraw/zinc/25/30/71/345253071.db2.gz HVVBMWQTHFCNEB-UHFFFAOYSA-N 1 0 295.184 2.033 10 30 CEEERO N#Cc1cnccc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594692924 345673017 /nfs/dbraw/zinc/67/30/17/345673017.db2.gz GAOMRURMCNHIJU-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596030105 345926016 /nfs/dbraw/zinc/92/60/16/345926016.db2.gz JJEIDWPXPPHSGN-GFCCVEGCSA-N 1 0 262.313 2.252 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1c(C#N)cnc2ccccc21 ZINC000596030169 345926118 /nfs/dbraw/zinc/92/61/18/345926118.db2.gz MESXBOMWYIPQNZ-CQSZACIVSA-N 1 0 268.364 2.314 10 30 CEEERO N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085363072 179034516 /nfs/dbraw/zinc/03/45/16/179034516.db2.gz QEJLAFGJYJMYRY-ZIAGYGMSSA-N 1 0 257.337 2.209 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368557 179038102 /nfs/dbraw/zinc/03/81/02/179038102.db2.gz SCJDRKWDQMEZEW-DZGCQCFKSA-N 1 0 289.354 2.173 10 30 CEEERO Cc1sc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])c(C#N)c1C ZINC000085372020 179041748 /nfs/dbraw/zinc/04/17/48/179041748.db2.gz OJDJOAVUPTXCMA-MWLCHTKSSA-N 1 0 263.366 2.303 10 30 CEEERO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085374662 179043517 /nfs/dbraw/zinc/04/35/17/179043517.db2.gz CMZMRDQOGNMVEW-UONOGXRCSA-N 1 0 257.337 2.039 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000085365852 179036625 /nfs/dbraw/zinc/03/66/25/179036625.db2.gz YPXAJSDWVJJWEH-CABCVRRESA-N 1 0 287.363 2.435 10 30 CEEERO C=CCN1C[C@H](C2CC2)[NH2+]C[C@@H]1Cc1ccccc1 ZINC000085527580 179090594 /nfs/dbraw/zinc/09/05/94/179090594.db2.gz MJBBECCXHKUBAC-DLBZAZTESA-N 1 0 256.393 2.468 10 30 CEEERO C[C@@H]1CC[C@H](Nc2nc3c(cc2C#N)CCCC3)C[NH2+]1 ZINC000600955093 346716109 /nfs/dbraw/zinc/71/61/09/346716109.db2.gz JWFRDTSUUCINJM-RISCZKNCSA-N 1 0 270.380 2.384 10 30 CEEERO CCc1nnc(N[C@H]2CC[C@H](C)[NH2+]C2)c(C#N)c1CC ZINC000600955229 346716262 /nfs/dbraw/zinc/71/62/62/346716262.db2.gz KQQGTYCNKYJWNO-QWRGUYRKSA-N 1 0 273.384 2.025 10 30 CEEERO C[C@H]1CC[C@H](Nc2c(C#N)nnc3ccccc32)C[NH2+]1 ZINC000600955481 346716970 /nfs/dbraw/zinc/71/69/70/346716970.db2.gz NKJTUPWSNFMMRZ-QWRGUYRKSA-N 1 0 267.336 2.054 10 30 CEEERO C[C@H]1CC[C@@H](Nc2c(F)cc(C#N)cc2F)C[NH2+]1 ZINC000600956291 346717612 /nfs/dbraw/zinc/71/76/12/346717612.db2.gz YYZCCPQDOCANTK-WCBMZHEXSA-N 1 0 251.280 2.389 10 30 CEEERO C[C@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H]1C[NH3+] ZINC000600961624 346720065 /nfs/dbraw/zinc/72/00/65/346720065.db2.gz QLILKLLZNRGVKQ-WCQYABFASA-N 1 0 266.348 2.137 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1CCCC[NH2+]C1 ZINC000085921001 179200310 /nfs/dbraw/zinc/20/03/10/179200310.db2.gz ZYOADUQLSIGVDC-NSHDSACASA-N 1 0 267.336 2.055 10 30 CEEERO C[C@@H](Nc1c(C#N)nnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000085920797 179200605 /nfs/dbraw/zinc/20/06/05/179200605.db2.gz SJIFCYNSZPDWSV-NEPJUHHUSA-N 1 0 281.363 2.301 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2ccc(C#CC[NH3+])cc2)CC[C@@H]1C ZINC000086081169 179227680 /nfs/dbraw/zinc/22/76/80/179227680.db2.gz UOTHYVLJBKRWEI-WOSRLPQWSA-N 1 0 270.376 2.161 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2cc(F)ccc2C#CC[NH3+])[C@@H]1C ZINC000086081148 179227349 /nfs/dbraw/zinc/22/73/49/179227349.db2.gz CVAKZXXMOYJEQX-XHBSWPGZSA-N 1 0 288.366 2.300 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2cccc(C#CC[NH3+])c2)CC[C@@H]1C ZINC000086081145 179227528 /nfs/dbraw/zinc/22/75/28/179227528.db2.gz YZQRJEVCKNSPLN-WOSRLPQWSA-N 1 0 270.376 2.161 10 30 CEEERO C#CCCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1CC ZINC000086176219 179246879 /nfs/dbraw/zinc/24/68/79/179246879.db2.gz QPFYUSLFTHNQMA-IRXDYDNUSA-N 1 0 256.393 2.305 10 30 CEEERO CN(c1c(C#N)nnc2ccccc21)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112862 179707648 /nfs/dbraw/zinc/70/76/48/179707648.db2.gz LBAXFUOVBKTVLW-IAQYHMDHSA-N 1 0 281.363 2.065 10 30 CEEERO CCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114856 179708738 /nfs/dbraw/zinc/70/87/38/179708738.db2.gz SRGJNJGNYSKPLV-HUUCEWRRSA-N 1 0 271.364 2.148 10 30 CEEERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1c(C#N)cnc2ccccc21 ZINC000090314019 179956398 /nfs/dbraw/zinc/95/63/98/179956398.db2.gz RNEPYXRYAHXGIP-BJJXKVORSA-N 1 0 282.347 2.023 10 30 CEEERO CC(C)[NH2+]Cc1cccn1Cc1ccnc(C#N)c1 ZINC000091001201 180083341 /nfs/dbraw/zinc/08/33/41/180083341.db2.gz KZBDIXSVHIVGGV-UHFFFAOYSA-N 1 0 254.337 2.301 10 30 CEEERO CCC[NH2+]Cc1cccn1Cc1ccnc(C#N)c1 ZINC000090996227 180083444 /nfs/dbraw/zinc/08/34/44/180083444.db2.gz AOMQJNNSLGFECF-UHFFFAOYSA-N 1 0 254.337 2.303 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CS[C@@H](C)CCO ZINC000091266347 180117035 /nfs/dbraw/zinc/11/70/35/180117035.db2.gz DNHZFANPUSOGHL-LBPRGKRZSA-N 1 0 279.405 2.010 10 30 CEEERO Cc1ccc(F)cc1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091461045 180161556 /nfs/dbraw/zinc/16/15/56/180161556.db2.gz YBENBIGGGREHJT-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CCCCC[C@@H](C)NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462152 180162144 /nfs/dbraw/zinc/16/21/44/180162144.db2.gz CBOQLFLAATUPMT-CYBMUJFWSA-N 1 0 273.380 2.090 10 30 CEEERO CC(C)(C)CC(C)(C)NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462647 180162602 /nfs/dbraw/zinc/16/26/02/180162602.db2.gz WIKNILMAVRUDDD-UHFFFAOYSA-N 1 0 287.407 2.336 10 30 CEEERO CC[C@@H]1CCC[C@@H](NC(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091463583 180162722 /nfs/dbraw/zinc/16/27/22/180162722.db2.gz BIVHYDUCTSYBRB-UKRRQHHQSA-N 1 0 285.391 2.090 10 30 CEEERO CC#CC[C@@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000091613162 180208027 /nfs/dbraw/zinc/20/80/27/180208027.db2.gz ZVDMUDOSYYXFFK-HZPDHXFCSA-N 1 0 266.429 2.269 10 30 CEEERO CC[C@@H]([NH2+]C)c1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091816638 180263011 /nfs/dbraw/zinc/26/30/11/180263011.db2.gz FWOZIPLREWBAOZ-OAHLLOKOSA-N 1 0 254.337 2.474 10 30 CEEERO C[NH2+]C1CCC(N(C)C(=O)c2ccc(C#N)cc2)CC1 ZINC000091872241 180278059 /nfs/dbraw/zinc/27/80/59/180278059.db2.gz GTQRZRGDXKTUTL-UHFFFAOYSA-N 1 0 271.364 2.161 10 30 CEEERO CC(C)C1CCC(C#N)(C2(O)CC[NH2+]CC2)CC1 ZINC000091878766 180278917 /nfs/dbraw/zinc/27/89/17/180278917.db2.gz PYFVRAAAXLXZHO-UHFFFAOYSA-N 1 0 250.386 2.457 10 30 CEEERO Cc1ccc(OCc2cc(C#N)ccc2F)c(C[NH3+])n1 ZINC000091994024 180301254 /nfs/dbraw/zinc/30/12/54/180301254.db2.gz ZTCATHZBRVMYQE-UHFFFAOYSA-N 1 0 271.295 2.439 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1cc(Cl)ccc1C#N ZINC000092133114 180330542 /nfs/dbraw/zinc/33/05/42/180330542.db2.gz PHGGKHVTBNGDNH-MRVPVSSYSA-N 1 0 251.717 2.006 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092204176 180343802 /nfs/dbraw/zinc/34/38/02/180343802.db2.gz KTTUSNQXIDAGQQ-CHWSQXEVSA-N 1 0 285.347 2.211 10 30 CEEERO CC[C@@H](C#N)N1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092301682 180359406 /nfs/dbraw/zinc/35/94/06/180359406.db2.gz BNVMCJNIZFLPET-CABCVRRESA-N 1 0 285.391 2.082 10 30 CEEERO Cc1nc(C)n(C[C@@H]2CCC[N@H+](CCCCC#N)C2)n1 ZINC000105885544 186082860 /nfs/dbraw/zinc/08/28/60/186082860.db2.gz KJJQOMPGXMNBQV-OAHLLOKOSA-N 1 0 275.400 2.301 10 30 CEEERO Cc1cc(NC(=O)c2ccc(C#CC[NH3+])c(F)c2)ccn1 ZINC000092365928 180369215 /nfs/dbraw/zinc/36/92/15/180369215.db2.gz IYQBYRSPNNZGGR-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C ZINC000092473759 180392802 /nfs/dbraw/zinc/39/28/02/180392802.db2.gz JNKKRFNTIYVENY-STQMWFEESA-N 1 0 252.402 2.483 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000092474559 180393644 /nfs/dbraw/zinc/39/36/44/180393644.db2.gz ZSAAXYKTLMYEQR-AAEUAGOBSA-N 1 0 262.353 2.137 10 30 CEEERO N#CCOc1cccc(C[NH2+]CC2CCOCC2)c1 ZINC000107064370 186158113 /nfs/dbraw/zinc/15/81/13/186158113.db2.gz HEYQKIQZGTXEJS-UHFFFAOYSA-N 1 0 260.337 2.105 10 30 CEEERO [NH3+]CC#Cc1cc(COc2ccccc2CO)ccc1F ZINC000110994494 186341553 /nfs/dbraw/zinc/34/15/53/186341553.db2.gz SSEXKPGTEZZBIT-UHFFFAOYSA-N 1 0 285.318 2.207 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccccc2CO)c(F)c1 ZINC000110994487 186340761 /nfs/dbraw/zinc/34/07/61/186340761.db2.gz SIANRTMHGJIOAF-UHFFFAOYSA-N 1 0 285.318 2.207 10 30 CEEERO CC[N@@H+]1CCN(Cc2sccc2C#CCCO)C[C@@H]1C ZINC000110734542 186317984 /nfs/dbraw/zinc/31/79/84/186317984.db2.gz GUVHOKMLDOSTNH-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](C)CC1CCOCC1 ZINC000111169294 186365823 /nfs/dbraw/zinc/36/58/23/186365823.db2.gz XBXZENRFXRBKGM-OAHLLOKOSA-N 1 0 267.417 2.017 10 30 CEEERO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000131216846 366032969 /nfs/dbraw/zinc/03/29/69/366032969.db2.gz ULWOULMXZOYRLY-AWEZNQCLSA-N 1 0 250.386 2.355 10 30 CEEERO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228552346 283076278 /nfs/dbraw/zinc/07/62/78/283076278.db2.gz SLPMUCGUFAJXIF-ZKYQVNSYSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000261578373 283097558 /nfs/dbraw/zinc/09/75/58/283097558.db2.gz DFSFNEJFOIGEHU-KWBADKCTSA-N 1 0 263.291 2.010 10 30 CEEERO N#Cc1cc2c(nc1N1CC[C@H]3[NH2+]CC[C@@H]3C1)CCCC2 ZINC000261609943 283116250 /nfs/dbraw/zinc/11/62/50/283116250.db2.gz DSPVKDQTJZJLGD-UKRRQHHQSA-N 1 0 282.391 2.020 10 30 CEEERO N#Cc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000105801982 283148200 /nfs/dbraw/zinc/14/82/00/283148200.db2.gz NITFRHAOQHCAHA-INIZCTEOSA-N 1 0 293.374 2.107 10 30 CEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c(F)c1 ZINC000135701952 366468887 /nfs/dbraw/zinc/46/88/87/366468887.db2.gz FTLJJHMKWJKSIH-HUUCEWRRSA-N 1 0 262.328 2.481 10 30 CEEERO C#Cc1cccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000177114047 189030074 /nfs/dbraw/zinc/03/00/74/189030074.db2.gz RRPICIHEAZHDTC-CZUORRHYSA-N 1 0 283.375 2.368 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000083550850 363780232 /nfs/dbraw/zinc/78/02/32/363780232.db2.gz VEPDWNHMWJMJPH-SWLSCSKDSA-N 1 0 273.355 2.366 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068851 364037180 /nfs/dbraw/zinc/03/71/80/364037180.db2.gz LHCOYQLKBRVCAU-RISCZKNCSA-N 1 0 291.351 2.326 10 30 CEEERO N#Cc1ccc(C[C@H]2COCC[C@@H]2[NH2+]C2CC2)cc1 ZINC000095077177 364333686 /nfs/dbraw/zinc/33/36/86/364333686.db2.gz YYFWDDKGLBUXEX-HOCLYGCPSA-N 1 0 256.349 2.258 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(Cl)ccc1OC ZINC000095082229 364336503 /nfs/dbraw/zinc/33/65/03/364336503.db2.gz SZIRTJDDRYPJAU-UHFFFAOYSA-N 1 0 254.717 2.063 10 30 CEEERO N#CCc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000335293772 364679602 /nfs/dbraw/zinc/67/96/02/364679602.db2.gz OJCPRTCLAIDOMK-QGZVFWFLSA-N 1 0 269.392 2.423 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOc1ccc(C#N)cc1 ZINC000113267981 364879952 /nfs/dbraw/zinc/87/99/52/364879952.db2.gz FYVQRPXPWCUYSA-DOTOQJQBSA-N 1 0 299.418 2.496 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000638875280 370812993 /nfs/dbraw/zinc/81/29/93/370812993.db2.gz RECCCSNCJFVSOI-QWHCGFSZSA-N 1 0 252.402 2.483 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000638875278 370813453 /nfs/dbraw/zinc/81/34/53/370813453.db2.gz RECCCSNCJFVSOI-CHWSQXEVSA-N 1 0 252.402 2.483 10 30 CEEERO C#CCOc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1 ZINC000120734952 365468000 /nfs/dbraw/zinc/46/80/00/365468000.db2.gz BYSBUPOTPIMJSY-GDBMZVCRSA-N 1 0 298.386 2.007 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000171601581 367576036 /nfs/dbraw/zinc/57/60/36/367576036.db2.gz AIUULWONMCGOLL-INIZCTEOSA-N 1 0 281.363 2.062 10 30 CEEERO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)c(C#N)c(C)n1 ZINC000227593536 370373426 /nfs/dbraw/zinc/37/34/26/370373426.db2.gz YESXNBOHHVXMFR-NSHDSACASA-N 1 0 258.369 2.465 10 30 CEEERO C[C@H](CC[NH3+])Nc1ccc(Br)cc1C#N ZINC000336699777 213571958 /nfs/dbraw/zinc/57/19/58/213571958.db2.gz OXHCMGUNTNVYDD-MRVPVSSYSA-N 1 0 268.158 2.470 10 30 CEEERO C[C@@H](C[NH3+])N(C)c1ccc(C(F)(F)F)cc1C#N ZINC000383022639 375197264 /nfs/dbraw/zinc/19/72/64/375197264.db2.gz STUDOECRJGQBFQ-QMMMGPOBSA-N 1 0 257.259 2.360 10 30 CEEERO N#CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1 ZINC000398982345 375355516 /nfs/dbraw/zinc/35/55/16/375355516.db2.gz GLHQOGBFGDODTD-GVDBMIGSSA-N 1 0 270.376 2.345 10 30 CEEERO C[C@H](CCC[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000311431906 376668400 /nfs/dbraw/zinc/66/84/00/376668400.db2.gz NAZSHPWKELDUFN-SNVBAGLBSA-N 1 0 255.325 2.041 10 30 CEEERO CCc1nnc(N[C@@H](C)C[C@H](C)[NH3+])c(C#N)c1CC ZINC000320652276 376826789 /nfs/dbraw/zinc/82/67/89/376826789.db2.gz GUKJQYCPEPLXED-UWVGGRQHSA-N 1 0 261.373 2.011 10 30 CEEERO C[C@H](C[C@H](C)[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000320699979 376827073 /nfs/dbraw/zinc/82/70/73/376827073.db2.gz RRXWWLIMYPUBNS-VHSXEESVSA-N 1 0 255.325 2.039 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1cccs1)[C@@H](C)CC ZINC000169678017 542232719 /nfs/dbraw/zinc/23/27/19/542232719.db2.gz BBIODDJAVDPKQT-UONOGXRCSA-N 1 0 281.421 2.359 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NCc1nc(C#N)cs1 ZINC000352833196 220264459 /nfs/dbraw/zinc/26/44/59/220264459.db2.gz GYMKYJLZWPZOGM-LLVKDONJSA-N 1 0 266.414 2.081 10 30 CEEERO Cn1cc([C@@H](CNc2cccc(F)c2C#N)[NH+](C)C)cn1 ZINC000301307060 379253266 /nfs/dbraw/zinc/25/32/66/379253266.db2.gz ZOZZPNSHYAMLSU-OAHLLOKOSA-N 1 0 287.342 2.146 10 30 CEEERO N#Cc1ccc(NC(=O)OCC2CC[NH2+]CC2)cc1 ZINC000092742649 184624441 /nfs/dbraw/zinc/62/44/41/184624441.db2.gz ZUWFPHARQVEQKA-UHFFFAOYSA-N 1 0 259.309 2.106 10 30 CEEERO N#Cc1cccc(NC(=O)O[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000093220472 184656747 /nfs/dbraw/zinc/65/67/47/184656747.db2.gz APQCDZKHEJTBLH-YPMHNXCESA-N 1 0 259.309 2.377 10 30 CEEERO C[NH+](C)C1CCN(C[C@@H](C#N)c2ccccc2)CC1 ZINC000080798821 177708686 /nfs/dbraw/zinc/70/86/86/177708686.db2.gz MUYFDKAMGJHYHC-OAHLLOKOSA-N 1 0 257.381 2.320 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094592265 184822053 /nfs/dbraw/zinc/82/20/53/184822053.db2.gz DYLCSWHUBWLRMM-CMPLNLGQSA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1cccc(OCC#N)c1 ZINC000094697841 184842009 /nfs/dbraw/zinc/84/20/09/184842009.db2.gz KYEUPQUGQUYKKA-LBPRGKRZSA-N 1 0 275.352 2.148 10 30 CEEERO COc1ccc2c(c1O)[C@@]13CC[N@H+](C)[C@@H](C2)[C@@H]1C=CC(=O)C3 ZINC000022066929 394474364 /nfs/dbraw/zinc/47/43/64/394474364.db2.gz SLJDAVMWFVYEFI-SUNYJGFJSA-N 1 0 299.370 2.044 10 30 CEEERO Cc1cc(N2CC[NH+](C(C)C)CC2)c(C#N)c(C)n1 ZINC000157396147 395034903 /nfs/dbraw/zinc/03/49/03/395034903.db2.gz AAAKHCCYBUBRJY-UHFFFAOYSA-N 1 0 258.369 2.101 10 30 CEEERO Clc1ccc(C#CCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000177143753 395146274 /nfs/dbraw/zinc/14/62/74/395146274.db2.gz MHHSGYDIKFVHNR-MRXNPFEDSA-N 1 0 274.795 2.472 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000177107179 395146619 /nfs/dbraw/zinc/14/66/19/395146619.db2.gz AKNRQJRWEGPNLO-XJKSGUPXSA-N 1 0 298.390 2.453 10 30 CEEERO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000183226651 395253213 /nfs/dbraw/zinc/25/32/13/395253213.db2.gz UMSDGKVBJFBFGM-IUODEOHRSA-N 1 0 287.363 2.044 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182560739 395245628 /nfs/dbraw/zinc/24/56/28/395245628.db2.gz KRZVCQMOGCEUDM-NEPJUHHUSA-N 1 0 279.409 2.407 10 30 CEEERO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)O ZINC000181548843 395219610 /nfs/dbraw/zinc/21/96/10/395219610.db2.gz COLTYJCHYXZGFA-UHFFFAOYSA-N 1 0 264.325 2.354 10 30 CEEERO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCCO1 ZINC000183149593 395252832 /nfs/dbraw/zinc/25/28/32/395252832.db2.gz HFOQTSKBOLRFTI-JQWIXIFHSA-N 1 0 293.392 2.105 10 30 CEEERO C=C(C)C[N@@H+](CC)CC1(O)CCC(C(=O)OCC)CC1 ZINC000190805305 395342959 /nfs/dbraw/zinc/34/29/59/395342959.db2.gz MYXHKRDTVMOTPN-UHFFFAOYSA-N 1 0 283.412 2.369 10 30 CEEERO C[C@H](c1ccccc1)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C#N ZINC000206017178 395473698 /nfs/dbraw/zinc/47/36/98/395473698.db2.gz TXWNWQCDGRBOSR-YUELXQCFSA-N 1 0 271.364 2.022 10 30 CEEERO C[C@]1(C[NH3+])CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000261576488 153770953 /nfs/dbraw/zinc/77/09/53/153770953.db2.gz NRRNIAOWEYDTIW-CYBMUJFWSA-N 1 0 251.280 2.012 10 30 CEEERO CC[NH2+]CCNc1cccc(Br)c1C#N ZINC000165077083 162339889 /nfs/dbraw/zinc/33/98/89/162339889.db2.gz XMBCQTQJHIBFNR-UHFFFAOYSA-N 1 0 268.158 2.342 10 30 CEEERO C=CCOc1ccc(C[NH2+]CCCOCCOC)cc1 ZINC000020192809 171059137 /nfs/dbraw/zinc/05/91/37/171059137.db2.gz LVUWPNFNWBPCHV-UHFFFAOYSA-N 1 0 279.380 2.394 10 30 CEEERO CC[C@@H](C)C[N@H+](C)Cc1ccc(/C(N)=N/O)cc1F ZINC000037173304 173007584 /nfs/dbraw/zinc/00/75/84/173007584.db2.gz ZNSPXQYWSXZLNG-SNVBAGLBSA-N 1 0 267.348 2.398 10 30 CEEERO CC(C)[NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000037385956 173169231 /nfs/dbraw/zinc/16/92/31/173169231.db2.gz KTLALDTUVIHPGA-UHFFFAOYSA-N 1 0 251.717 2.148 10 30 CEEERO C=CCOc1ccccc1C[NH2+]CCCC(=O)OC ZINC000037416383 173193300 /nfs/dbraw/zinc/19/33/00/173193300.db2.gz CTZAASSVQGVEGU-UHFFFAOYSA-N 1 0 263.337 2.294 10 30 CEEERO C=CCC1(NC(=O)[C@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000662888065 414788762 /nfs/dbraw/zinc/78/87/62/414788762.db2.gz DFHSROAIYPFBAE-STQMWFEESA-N 1 0 250.386 2.380 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CCC#N)C(C)C ZINC000043354636 175022638 /nfs/dbraw/zinc/02/26/38/175022638.db2.gz UIFQPAKYWLYCOU-CABCVRRESA-N 1 0 260.385 2.484 10 30 CEEERO CCO[C@H]1CCC[N@H+](Cc2ccc(C#CCCO)s2)C1 ZINC000043679884 175090679 /nfs/dbraw/zinc/09/06/79/175090679.db2.gz GLANDXNWMKBFBK-AWEZNQCLSA-N 1 0 293.432 2.483 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](CC)C[C@@H]1CCCO1 ZINC000045182067 175325427 /nfs/dbraw/zinc/32/54/27/175325427.db2.gz BBPGVGIYHGSTNQ-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000045307109 175356023 /nfs/dbraw/zinc/35/60/23/175356023.db2.gz JDRAZPOTMWRTDA-KKUMJFAQSA-N 1 0 267.417 2.156 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](CC)[C@@H](C)COC ZINC000045314250 175357620 /nfs/dbraw/zinc/35/76/20/175357620.db2.gz XWMLIEHAHAZCJM-GJZGRUSLSA-N 1 0 269.433 2.405 10 30 CEEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCC[C@@](C)(C#N)NC ZINC000045318305 175358851 /nfs/dbraw/zinc/35/88/51/175358851.db2.gz HKCRVQICCNNDHY-KFWWJZLASA-N 1 0 267.417 2.158 10 30 CEEERO CC[NH+](CC)CCN[C@@]1(C#N)CCO[C@](C)(CC)C1 ZINC000070367271 175896617 /nfs/dbraw/zinc/89/66/17/175896617.db2.gz UMSDRQGXZRMGEN-CABCVRRESA-N 1 0 267.417 2.159 10 30 CEEERO CC(C)[C@@H]1CCC[N@H+](CC(=O)N(C)CCC#N)CC1 ZINC000071029253 176021980 /nfs/dbraw/zinc/02/19/80/176021980.db2.gz KOCYDERHEIVINJ-CQSZACIVSA-N 1 0 265.401 2.117 10 30 CEEERO CC(C)[NH2+][C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O ZINC000071039536 176027299 /nfs/dbraw/zinc/02/72/99/176027299.db2.gz BUKVJLUHYSPKOB-ZDUSSCGKSA-N 1 0 277.755 2.315 10 30 CEEERO CCC[NH2+][C@@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O ZINC000071041630 176028103 /nfs/dbraw/zinc/02/81/03/176028103.db2.gz NRVDYBWOFLKPEI-CQSZACIVSA-N 1 0 275.327 2.192 10 30 CEEERO C[C@H]1CCC[C@@H]1NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000071210982 176083084 /nfs/dbraw/zinc/08/30/84/176083084.db2.gz HHJLDNBINKPUMF-NHYWBVRUSA-N 1 0 274.339 2.054 10 30 CEEERO COCCN(CCC#N)[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000071222469 176088053 /nfs/dbraw/zinc/08/80/53/176088053.db2.gz XJWDSYUPCZLLGT-DOMZBBRYSA-N 1 0 279.359 2.076 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)c2ccc(Cl)o2)c1 ZINC000071322448 176123091 /nfs/dbraw/zinc/12/30/91/176123091.db2.gz VUFPGHRILCITEG-UHFFFAOYSA-N 1 0 294.763 2.235 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2cccc(F)c2)s1 ZINC000071322957 176123192 /nfs/dbraw/zinc/12/31/92/176123192.db2.gz DYDXURSMUQHLLN-UHFFFAOYSA-N 1 0 288.347 2.127 10 30 CEEERO CC(C)CCC(=O)NCc1ccc(C#CC[NH3+])s1 ZINC000071322747 176123311 /nfs/dbraw/zinc/12/33/11/176123311.db2.gz XHPKAJAADPHRSN-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO Cc1sc(=O)n(Cc2ccc(F)c(C#CC[NH3+])c2)c1C ZINC000071351744 176135002 /nfs/dbraw/zinc/13/50/02/176135002.db2.gz GSCZOHMEDXFQKJ-UHFFFAOYSA-N 1 0 290.363 2.024 10 30 CEEERO CCn1c(C[NH3+])nnc1SCc1ccc(F)cc1C#N ZINC000071375051 176140669 /nfs/dbraw/zinc/14/06/69/176140669.db2.gz NKYCPNCDYAPTRN-UHFFFAOYSA-N 1 0 291.355 2.060 10 30 CEEERO CCCn1c(C[NH3+])nnc1SCc1ccc(C#N)cc1 ZINC000071375134 176140758 /nfs/dbraw/zinc/14/07/58/176140758.db2.gz CEENDXCRTJHHIN-UHFFFAOYSA-N 1 0 287.392 2.311 10 30 CEEERO N#CCCN(CCC#N)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400834 176153053 /nfs/dbraw/zinc/15/30/53/176153053.db2.gz RKLXINVGZQFBGF-HNNXBMFYSA-N 1 0 284.363 2.123 10 30 CEEERO CC(C)(C)[C@H](CC[NH3+])CCC(=O)N(CCC#N)CCC#N ZINC000079291371 177464937 /nfs/dbraw/zinc/46/49/37/177464937.db2.gz YQDFAQSPZOTJKT-AWEZNQCLSA-N 1 0 292.427 2.434 10 30 CEEERO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000078595516 260300747 /nfs/dbraw/zinc/30/07/47/260300747.db2.gz CRTYBASBGVELIC-QWRGUYRKSA-N 1 0 295.333 2.376 10 30 CEEERO N#CCc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000414757431 263039515 /nfs/dbraw/zinc/03/95/15/263039515.db2.gz LDDABDUIYPVNNR-TZMCWYRMSA-N 1 0 272.352 2.002 10 30 CEEERO CC1(C)CN(c2cc(C#N)c3ccccc3n2)CC[NH2+]1 ZINC000212710269 273584859 /nfs/dbraw/zinc/58/48/59/273584859.db2.gz HOADVKOWOXRRAN-UHFFFAOYSA-N 1 0 266.348 2.295 10 30 CEEERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](n2cncn2)C1 ZINC000333353801 287708178 /nfs/dbraw/zinc/70/81/78/287708178.db2.gz BQKZMRVWAFRQFQ-XLWJZTARSA-N 1 0 273.384 2.290 10 30 CEEERO C[C@@H]1CN(c2cccc(Br)c2C#N)C[C@H]1[NH3+] ZINC000261535002 274364992 /nfs/dbraw/zinc/36/49/92/274364992.db2.gz VLSVVCABOINKRB-LDYMZIIASA-N 1 0 280.169 2.104 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@@H]1[NH3+] ZINC000094342366 274361136 /nfs/dbraw/zinc/36/11/36/274361136.db2.gz DJJJRVXNUZNAJG-RISCZKNCSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(C#N)cc1Br ZINC000261576021 274638391 /nfs/dbraw/zinc/63/83/91/274638391.db2.gz KAXZBIUDJLULRD-KWQFWETISA-N 1 0 280.169 2.247 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156369406 274922349 /nfs/dbraw/zinc/92/23/49/274922349.db2.gz HQGJJLGIQANIOR-MNOVXSKESA-N 1 0 296.296 2.303 10 30 CEEERO C[C@H]1[C@H]([NH3+])CCN1c1ccc(C#N)cc1Br ZINC000261576019 280114446 /nfs/dbraw/zinc/11/44/46/280114446.db2.gz KAXZBIUDJLULRD-GZMMTYOYSA-N 1 0 280.169 2.247 10 30 CEEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000249284295 280391068 /nfs/dbraw/zinc/39/10/68/280391068.db2.gz OQIXSEBXQUVBAE-IIDMSEBBSA-N 1 0 299.418 2.272 10 30 CEEERO Cc1cc(N2CC[NH+](CC(C)C)CC2)c(C#N)c(C)n1 ZINC000156575188 280558471 /nfs/dbraw/zinc/55/84/71/280558471.db2.gz WQIMWCNVGPMMEZ-UHFFFAOYSA-N 1 0 272.396 2.348 10 30 CEEERO C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000329487927 298245694 /nfs/dbraw/zinc/24/56/94/298245694.db2.gz XZWRPWGDXIFMJP-PWSUYJOCSA-N 1 0 293.367 2.313 10 30 CEEERO C=CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000339154744 327008257 /nfs/dbraw/zinc/00/82/57/327008257.db2.gz LTOVRVOPMZWATE-KFWWJZLASA-N 1 0 253.386 2.205 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000177703693 329189468 /nfs/dbraw/zinc/18/94/68/329189468.db2.gz UYUATFTVFYXVOS-JKSUJKDBSA-N 1 0 295.471 2.216 10 30 CEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3cccnn3)C2)C1 ZINC000248766458 329899056 /nfs/dbraw/zinc/89/90/56/329899056.db2.gz GZLSWPDZMOEYIW-ILXRZTDVSA-N 1 0 285.395 2.117 10 30 CEEERO CCO[C@@H]1C[C@H](NC(NCC2CCC2)=[NH+]C)C12CCC2 ZINC000262353898 330007599 /nfs/dbraw/zinc/00/75/99/330007599.db2.gz FNMIJTHDDUXRAQ-UONOGXRCSA-N 1 0 279.428 2.299 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@H]2CCC[C@H]2O)cc1Cl ZINC000262516796 330019222 /nfs/dbraw/zinc/01/92/22/330019222.db2.gz GSRACAMXJDHSRK-BXKDBHETSA-N 1 0 297.786 2.236 10 30 CEEERO C=C[C@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000135094503 334115260 /nfs/dbraw/zinc/11/52/60/334115260.db2.gz HVMGPMIRLBJGGR-WMLDXEAASA-N 1 0 296.455 2.140 10 30 CEEERO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000135112486 334115899 /nfs/dbraw/zinc/11/58/99/334115899.db2.gz HIVXONJWMPSKFY-KCQAQPDRSA-N 1 0 252.402 2.434 10 30 CEEERO CC(C)C[NH+]1CCN(CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000055081122 519726233 /nfs/dbraw/zinc/72/62/33/519726233.db2.gz XFWPDIBMZGMFMA-QGZVFWFLSA-N 1 0 294.487 2.320 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614927 520031660 /nfs/dbraw/zinc/03/16/60/520031660.db2.gz ZOJFVWKNOMMCDE-ARFHVFGLSA-N 1 0 280.460 2.073 10 30 CEEERO C#CCNC(=O)[C@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000049545444 518283884 /nfs/dbraw/zinc/28/38/84/518283884.db2.gz KHNBSEKSKMZJFV-HSBZDZAISA-N 1 0 250.386 2.073 10 30 CEEERO C=CCNC(=O)COc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728942 518896616 /nfs/dbraw/zinc/89/66/16/518896616.db2.gz MRPXYPIUITWTJF-UHFFFAOYSA-N 1 0 276.380 2.113 10 30 CEEERO C=C[C@@H](C)Oc1cc(OC)ccc1C[NH2+]CCOC ZINC000062733332 519294581 /nfs/dbraw/zinc/29/45/81/519294581.db2.gz VWXZZGJFHLRUFW-GFCCVEGCSA-N 1 0 265.353 2.385 10 30 CEEERO CC(C)CC(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587146 519601690 /nfs/dbraw/zinc/60/16/90/519601690.db2.gz XUUWUMQKJNHWTN-CYBMUJFWSA-N 1 0 258.365 2.220 10 30 CEEERO CC(C)CCC(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586256 519636044 /nfs/dbraw/zinc/63/60/44/519636044.db2.gz OCTSODGWJSYQEF-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CC(C)N(CCC#N)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881690 519641529 /nfs/dbraw/zinc/64/15/29/519641529.db2.gz HIACKXHFNLPGJV-HNNXBMFYSA-N 1 0 259.353 2.011 10 30 CEEERO CC(C)[C@H](CN(C)C)[NH2+]Cc1ccccc1OCC#N ZINC000049198040 519814514 /nfs/dbraw/zinc/81/45/14/519814514.db2.gz ZNFCPCKVYVDRTQ-HNNXBMFYSA-N 1 0 275.396 2.265 10 30 CEEERO CCCN[C@@](C)(C#N)CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055069989 520031497 /nfs/dbraw/zinc/03/14/97/520031497.db2.gz UXMHLNZMCGFMGU-HZPDHXFCSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000068614986 520032861 /nfs/dbraw/zinc/03/28/61/520032861.db2.gz GATUIHQXWVJPFO-GVDBMIGSSA-N 1 0 294.487 2.463 10 30 CEEERO CCOC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000054824405 520932138 /nfs/dbraw/zinc/93/21/38/520932138.db2.gz FBIABURFRAODDN-TZMCWYRMSA-N 1 0 279.384 2.279 10 30 CEEERO CCN(c1cc(C#N)c2ccccc2n1)[C@H]1CC[NH2+]C1 ZINC000068771174 521479491 /nfs/dbraw/zinc/47/94/91/521479491.db2.gz MXLVRQCBIHVZEN-ZDUSSCGKSA-N 1 0 266.348 2.295 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C#N)cc(C)n1 ZINC000161090769 521633066 /nfs/dbraw/zinc/63/30/66/521633066.db2.gz UJTSJGNYKVOKLS-CQSZACIVSA-N 1 0 258.369 2.182 10 30 CEEERO CCOC1CC[NH+](Cc2ccc(F)cc2C#CCO)CC1 ZINC000049613574 521656821 /nfs/dbraw/zinc/65/68/21/521656821.db2.gz HNMOYBWNNMKOIJ-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO C[NH+](C)C[C@@H]1CCCN1C(=O)C1(C#N)CCCCCC1 ZINC000061645844 521828292 /nfs/dbraw/zinc/82/82/92/521828292.db2.gz UVMJWCYRBGQGGS-AWEZNQCLSA-N 1 0 277.412 2.403 10 30 CEEERO CC[C@H](C)[C@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000049105824 521933383 /nfs/dbraw/zinc/93/33/83/521933383.db2.gz INEYBSSHSHRKFS-RYUDHWBXSA-N 1 0 276.355 2.300 10 30 CEEERO C[NH2+]CCN(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000163887439 522007340 /nfs/dbraw/zinc/00/73/40/522007340.db2.gz MHWSXUQRRTXCOO-UHFFFAOYSA-N 1 0 257.259 2.233 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1c1nc2c(cc1C#N)CCC2 ZINC000063169428 522080927 /nfs/dbraw/zinc/08/09/27/522080927.db2.gz DERWSILWSHPWOE-CQSZACIVSA-N 1 0 270.380 2.020 10 30 CEEERO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049614706 523350207 /nfs/dbraw/zinc/35/02/07/523350207.db2.gz ZXCCEKGUVQBQRB-PBHICJAKSA-N 1 0 273.376 2.030 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1COC1CCCC1 ZINC000049610334 523513753 /nfs/dbraw/zinc/51/37/53/523513753.db2.gz FNKNRTWWHKZPBA-UHFFFAOYSA-N 1 0 259.349 2.465 10 30 CEEERO CC[C@]1(C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC[NH2+]C1 ZINC000062892499 523540682 /nfs/dbraw/zinc/54/06/82/523540682.db2.gz GAHQDTYBSNJQES-LRDDRELGSA-N 1 0 271.364 2.125 10 30 CEEERO CC[C@H](C#N)Oc1cc(OC)ccc1C[NH2+]CCOC ZINC000062733341 523751192 /nfs/dbraw/zinc/75/11/92/523751192.db2.gz QANJVRPOODYCCW-CYBMUJFWSA-N 1 0 278.352 2.112 10 30 CEEERO CN(C(=O)[C@H](C[NH3+])c1ccccc1)c1cccc(C#N)c1 ZINC000061980743 523905476 /nfs/dbraw/zinc/90/54/76/523905476.db2.gz CRHWOBNKVSWAAP-MRXNPFEDSA-N 1 0 279.343 2.264 10 30 CEEERO COc1ccc(C[N@@H+]2CCC[C@H]2C)cc1C#CCO ZINC000049615238 524030107 /nfs/dbraw/zinc/03/01/07/524030107.db2.gz STGPKOIYYDELAV-CYBMUJFWSA-N 1 0 259.349 2.023 10 30 CEEERO CSC[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000069447949 525622013 /nfs/dbraw/zinc/62/20/13/525622013.db2.gz SRQHOSINSCTERR-SMDDNHRTSA-N 1 0 264.394 2.180 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccccc2C#CC[NH3+])[C@H]1C ZINC000050568516 526267419 /nfs/dbraw/zinc/26/74/19/526267419.db2.gz NUOTYXMBNZHEGS-KBPBESRZSA-N 1 0 270.376 2.257 10 30 CEEERO N#C[C@@H](c1cccc2cccnc21)N1CCC[NH2+]CC1 ZINC000069503034 526498214 /nfs/dbraw/zinc/49/82/14/526498214.db2.gz RJKNSEKILQYWAU-HNNXBMFYSA-N 1 0 266.348 2.095 10 30 CEEERO N#Cc1cc(N[C@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000164075144 526573278 /nfs/dbraw/zinc/57/32/78/526573278.db2.gz GPKSUPDVGRFUGT-JTQLQIEISA-N 1 0 255.243 2.351 10 30 CEEERO N#Cc1cc(OC[C@@H]2CC[NH2+]C2)nc2ccccc12 ZINC000068771737 526574487 /nfs/dbraw/zinc/57/44/87/526574487.db2.gz CJEICENOAFYUMN-LLVKDONJSA-N 1 0 253.305 2.095 10 30 CEEERO N#Cc1ccc(F)c(C[NH2+]CCN2CCCCC2)c1 ZINC000049575195 526638923 /nfs/dbraw/zinc/63/89/23/526638923.db2.gz WHZJMAKNYRRWSN-UHFFFAOYSA-N 1 0 261.344 2.273 10 30 CEEERO N#Cc1ccccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050939966 526740981 /nfs/dbraw/zinc/74/09/81/526740981.db2.gz BBWVADPHCOXLTC-UHFFFAOYSA-N 1 0 257.337 2.277 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)N2Cc3ccccc3C2)s1 ZINC000050913633 527148642 /nfs/dbraw/zinc/14/86/42/527148642.db2.gz PCZRJHSTWZFCBQ-UHFFFAOYSA-N 1 0 282.368 2.214 10 30 CEEERO O=C1C[C@@]23CCC[N@@H+]2CCc2cc4c(cc2C3C1=O)OCO4 ZINC000031739248 560089545 /nfs/dbraw/zinc/08/95/45/560089545.db2.gz FDWVASNYLQYPMN-QGZVFWFLSA-N 1 0 299.326 2.048 10 30 biogenic,in-vitro CEEERO C=C[C@@H](C)NC(=S)N(CCC[NH3+])C(=O)OC(C)(C)C ZINC000757135284 574826325 /nfs/dbraw/zinc/82/63/25/574826325.db2.gz SNCVIUVDJCIAMY-SNVBAGLBSA-N 1 0 287.429 2.021 10 30 CEEERO CCc1nnc(N2CCC([C@H](C)[NH3+])CC2)c(C#N)c1CC ZINC000125492999 649924451 /nfs/dbraw/zinc/92/44/51/649924451.db2.gz GFKSXFSGLVUACI-NSHDSACASA-N 1 0 287.411 2.037 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261578993 628941790 /nfs/dbraw/zinc/94/17/90/628941790.db2.gz PHOJZQOUEXJTLT-DGCLKSJQSA-N 1 0 261.756 2.400 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261684941 628988830 /nfs/dbraw/zinc/98/88/30/628988830.db2.gz MTEJMABGDGCKNC-QGZVFWFLSA-N 1 0 278.359 2.296 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1cc(Cl)cn1C ZINC000261996293 629417304 /nfs/dbraw/zinc/41/73/04/629417304.db2.gz SMGPOXPNLYYQNM-ZWNOBZJWSA-N 1 0 282.819 2.484 10 30 CEEERO CCN1CCC[C@H]([NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000087823869 630686422 /nfs/dbraw/zinc/68/64/22/630686422.db2.gz UFUJWXUXTGTUDT-HNNXBMFYSA-N 1 0 273.380 2.141 10 30 CEEERO CCCCCCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC000196389799 717158551 /nfs/dbraw/zinc/15/85/51/717158551.db2.gz XRLHDSPZIQOTFJ-CQSZACIVSA-N 1 0 274.425 2.347 10 30 CEEERO CC[NH2+]CC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246069 539191869 /nfs/dbraw/zinc/19/18/69/539191869.db2.gz QQKXNDVUPJXFCG-UHFFFAOYSA-N 1 0 278.153 2.286 10 30 CEEERO C#CCOc1ccc(Cl)cc1C[NH2+]C(C)(C)CO ZINC000045945578 362170984 /nfs/dbraw/zinc/17/09/84/362170984.db2.gz MBJRZEKQWAAYLG-UHFFFAOYSA-N 1 0 267.756 2.213 10 30 CEEERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@H]1c1ccc(C#N)cc1 ZINC000166736379 344476873 /nfs/dbraw/zinc/47/68/73/344476873.db2.gz XJMXRDZJWWOKNT-AWEZNQCLSA-N 1 0 287.363 2.440 10 30 CEEERO C[N@@H+]1CC[C@@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000083686239 178686446 /nfs/dbraw/zinc/68/64/46/178686446.db2.gz VMESNBJACUEGLX-LBPRGKRZSA-N 1 0 266.348 2.470 10 30 CEEERO CC[C@@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@H]1[NH3+] ZINC000251596223 344637016 /nfs/dbraw/zinc/63/70/16/344637016.db2.gz CWMVCYKUHMNEKS-ZWNOBZJWSA-N 1 0 265.307 2.400 10 30 CEEERO CC(=O)O[C@]1(C#Cc2ccccc2)CC[N@@H+](C)C[C@H]1C ZINC000584636801 344971272 /nfs/dbraw/zinc/97/12/72/344971272.db2.gz DYGLEMPSQGOBFF-RHSMWYFYSA-N 1 0 271.360 2.312 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[N@H+](CCOC)C1CC1 ZINC000084293573 178846190 /nfs/dbraw/zinc/84/61/90/178846190.db2.gz OQRWNMMTOIKYGK-ZFWWWQNUSA-N 1 0 267.417 2.158 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085360690 179033175 /nfs/dbraw/zinc/03/31/75/179033175.db2.gz XNBYYQZOTTYHNF-GHMZBOCLSA-N 1 0 263.728 2.278 10 30 CEEERO C=CCN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000085368884 179038487 /nfs/dbraw/zinc/03/84/87/179038487.db2.gz OGQOEXWSKGTENS-ZIAGYGMSSA-N 1 0 250.386 2.461 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC000085373905 179042861 /nfs/dbraw/zinc/04/28/61/179042861.db2.gz KGRLJPBRRYZBGK-YPMHNXCESA-N 1 0 261.300 2.153 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000085965496 179205406 /nfs/dbraw/zinc/20/54/06/179205406.db2.gz YQLYAKYMGGWHMI-GOEBONIOSA-N 1 0 274.364 2.230 10 30 CEEERO CC(C)[C@H](C[NH+](C)C)Nc1c(C#N)nnc2ccccc21 ZINC000085920278 179199189 /nfs/dbraw/zinc/19/91/89/179199189.db2.gz AJFNIKKRNGUOPE-HNNXBMFYSA-N 1 0 283.379 2.500 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2sccc2C#CC[NH3+])[C@@H]1C ZINC000086081136 179227409 /nfs/dbraw/zinc/22/74/09/179227409.db2.gz UVVLNOLUQJNRFR-NQBHXWOUSA-N 1 0 276.405 2.223 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+]CCN2CCCC2)C1 ZINC000086036359 179221402 /nfs/dbraw/zinc/22/14/02/179221402.db2.gz LRNKDKUVNGRQRS-UHFFFAOYSA-N 1 0 269.392 2.296 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000086037249 179221610 /nfs/dbraw/zinc/22/16/10/179221610.db2.gz JQJOIXGNTJHMAA-JEYLPNPQSA-N 1 0 256.349 2.236 10 30 CEEERO CC(C)[NH2+][C@@H]1CCN(c2cc(Cl)ccc2C#N)C1=O ZINC000086115376 179234278 /nfs/dbraw/zinc/23/42/78/179234278.db2.gz UQIBXQGACJTVGE-GFCCVEGCSA-N 1 0 277.755 2.315 10 30 CEEERO CC(C)c1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000066472876 362867664 /nfs/dbraw/zinc/86/76/64/362867664.db2.gz ODWGZPZPFQUUAB-LBPRGKRZSA-N 1 0 259.353 2.100 10 30 CEEERO C[C@H]([NH3+])C1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000104142196 185910735 /nfs/dbraw/zinc/91/07/35/185910735.db2.gz LACILESUZRHEKN-NSHDSACASA-N 1 0 261.344 2.257 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)Nc1nccs1 ZINC000087747651 179480538 /nfs/dbraw/zinc/48/05/38/179480538.db2.gz RBJASPAAEPMPHK-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO C=CCCCOc1nc(CCC)[nH+]c(NN)c1C ZINC000087919247 179523188 /nfs/dbraw/zinc/52/31/88/179523188.db2.gz MJPIXRUDTCSKOU-UHFFFAOYSA-N 1 0 250.346 2.368 10 30 CEEERO C=C(C)C(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616572491 348524199 /nfs/dbraw/zinc/52/41/99/348524199.db2.gz WIQOMKNNGGFLNJ-KBPBESRZSA-N 1 0 262.328 2.045 10 30 CEEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191454 179562215 /nfs/dbraw/zinc/56/22/15/179562215.db2.gz AVOFTLBCQFLPDA-KCJUWKMLSA-N 1 0 297.280 2.371 10 30 CEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N(C)Cc1ccoc1 ZINC000088443827 179603496 /nfs/dbraw/zinc/60/34/96/179603496.db2.gz MWUCCCSSVPQGKN-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089105855 179701771 /nfs/dbraw/zinc/70/17/71/179701771.db2.gz JKFZVTCNEYQSSK-JOYOIKCWSA-N 1 0 260.297 2.006 10 30 CEEERO N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089389766 179778886 /nfs/dbraw/zinc/77/88/86/179778886.db2.gz BLFNNEFDRBQPJR-DZGCQCFKSA-N 1 0 271.364 2.456 10 30 CEEERO N#Cc1ccccc1NCCOC1CCC([NH3+])CC1 ZINC000104381069 185987576 /nfs/dbraw/zinc/98/75/76/185987576.db2.gz SNITXDXDWSJHLI-UHFFFAOYSA-N 1 0 259.353 2.257 10 30 CEEERO C[C@H]([NH3+])CCSCCC(=O)Nc1ccc(C#N)cc1 ZINC000090346654 179970622 /nfs/dbraw/zinc/97/06/22/179970622.db2.gz YEVYHQUKIICLRL-NSHDSACASA-N 1 0 277.393 2.357 10 30 CEEERO C[C@@H](OCc1ccccc1C#CC[NH3+])C(F)(F)F ZINC000090673673 180021705 /nfs/dbraw/zinc/02/17/05/180021705.db2.gz AVFBMDCCODEODM-SNVBAGLBSA-N 1 0 257.255 2.464 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000090985725 180081013 /nfs/dbraw/zinc/08/10/13/180081013.db2.gz SQWQTUGQWZDCOV-MRXNPFEDSA-N 1 0 296.395 2.014 10 30 CEEERO CN(C(=O)c1ccncc1C#CC[NH3+])C1CCCCCC1 ZINC000091461454 180161456 /nfs/dbraw/zinc/16/14/56/180161456.db2.gz UQNDCTCZBCUETM-UHFFFAOYSA-N 1 0 285.391 2.187 10 30 CEEERO CSC1(C#N)CC[NH+](CCc2ccccn2)CC1 ZINC000091472901 180165113 /nfs/dbraw/zinc/16/51/13/180165113.db2.gz GWCPZNMTTXDNSF-UHFFFAOYSA-N 1 0 261.394 2.345 10 30 CEEERO CSC1(C#N)CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000091471814 180165340 /nfs/dbraw/zinc/16/53/40/180165340.db2.gz OBDRRSOEUJHSGJ-NEPJUHHUSA-N 1 0 254.399 2.011 10 30 CEEERO Cc1ncccc1NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000091497939 180173193 /nfs/dbraw/zinc/17/31/93/180173193.db2.gz WSGHOCVWWIZVKC-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CCc1ccc(C(=O)NCc2cc(C#CC[NH3+])cs2)o1 ZINC000091775645 180252026 /nfs/dbraw/zinc/25/20/26/180252026.db2.gz BYQGHIMKGONVDG-UHFFFAOYSA-N 1 0 288.372 2.144 10 30 CEEERO CCN(CC)C(=O)Nc1ccc(C#CC[NH3+])c(F)c1 ZINC000091962407 180293186 /nfs/dbraw/zinc/29/31/86/180293186.db2.gz IDQBXSGXUNZVPS-UHFFFAOYSA-N 1 0 263.316 2.010 10 30 CEEERO C[NH2+]C1CCC(N(C)c2nc(C)ccc2C#N)CC1 ZINC000091873634 180278668 /nfs/dbraw/zinc/27/86/68/180278668.db2.gz DXEIWQKDGJCAFV-UHFFFAOYSA-N 1 0 258.369 2.229 10 30 CEEERO C[C@](O)([C@H]1CCC[NH2+]C1)C1(C#N)Cc2ccccc2C1 ZINC000091879175 180279308 /nfs/dbraw/zinc/27/93/08/180279308.db2.gz ILORYMVUSLTMLD-HOTGVXAUSA-N 1 0 270.376 2.046 10 30 CEEERO C[C@](O)([C@@H]1CCC[NH2+]C1)[C@]1(C#N)CCc2ccccc2C1 ZINC000091879197 180279395 /nfs/dbraw/zinc/27/93/95/180279395.db2.gz NDUVYSIFRVHJBD-FGTMMUONSA-N 1 0 284.403 2.436 10 30 CEEERO C[N@@H+]1CCC[C@@](O)([C@]2(C#N)CCc3ccccc32)CC1 ZINC000091888333 180280764 /nfs/dbraw/zinc/28/07/64/180280764.db2.gz VPRAJOIPOHSABV-IRXDYDNUSA-N 1 0 270.376 2.241 10 30 CEEERO C[C@H](CNCc1ccccc1OCC#N)[NH+]1CCCC1 ZINC000092022381 180307346 /nfs/dbraw/zinc/30/73/46/180307346.db2.gz QYGWGWCGIFVJBJ-CQSZACIVSA-N 1 0 273.380 2.163 10 30 CEEERO C[C@@H]1C[NH+](Cc2ccc(F)cc2C#CCO)C[C@H]1C ZINC000092087036 180321325 /nfs/dbraw/zinc/32/13/25/180321325.db2.gz CRZWUMMVOFYYHD-CHWSQXEVSA-N 1 0 261.340 2.257 10 30 CEEERO COc1ccc(C#CCO)c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000092087070 180321408 /nfs/dbraw/zinc/32/14/08/180321408.db2.gz FWMYASOORHVGGQ-OKILXGFUSA-N 1 0 273.376 2.127 10 30 CEEERO Cc1sc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(C#N)c1C ZINC000092206788 180344352 /nfs/dbraw/zinc/34/43/52/180344352.db2.gz WWUDJAZOYGCLQB-ZJUUUORDSA-N 1 0 261.350 2.079 10 30 CEEERO C[C@H](C#N)N1CC[NH+](C[C@@H]2CSc3ccccc32)CC1 ZINC000092275902 180356390 /nfs/dbraw/zinc/35/63/90/180356390.db2.gz AOMWYUGPFRWTRQ-ZIAGYGMSSA-N 1 0 287.432 2.406 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000092474469 180393934 /nfs/dbraw/zinc/39/39/34/180393934.db2.gz NEOJRIGFVQBFHD-UHFFFAOYSA-N 1 0 277.343 2.140 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@H](C)c1ccccc1F ZINC000092474649 180394190 /nfs/dbraw/zinc/39/41/90/180394190.db2.gz YKMXRPJBWSVUPR-LLVKDONJSA-N 1 0 250.317 2.121 10 30 CEEERO C#CC[NH2+]CC(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000092492544 180396856 /nfs/dbraw/zinc/39/68/56/180396856.db2.gz XYAFXMFPHCCBSR-SNVBAGLBSA-N 1 0 284.281 2.105 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000123395430 187089560 /nfs/dbraw/zinc/08/95/60/187089560.db2.gz XUOQDACVNDUKGJ-HNNXBMFYSA-N 1 0 297.406 2.122 10 30 CEEERO C[C@H]1CN(c2c(C#N)cnc3ccccc32)C[C@@H]1[NH+](C)C ZINC000123992282 187117540 /nfs/dbraw/zinc/11/75/40/187117540.db2.gz BEUVMILDDPKRSG-LRDDRELGSA-N 1 0 280.375 2.493 10 30 CEEERO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000133537043 366234152 /nfs/dbraw/zinc/23/41/52/366234152.db2.gz ZWHSHYDGMNVFJT-DZGCQCFKSA-N 1 0 262.397 2.450 10 30 CEEERO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252870534 283076299 /nfs/dbraw/zinc/07/62/99/283076299.db2.gz SLPMUCGUFAJXIF-VHRBIJSZSA-N 1 0 259.328 2.261 10 30 CEEERO C[C@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@@H]1[NH+](C)C ZINC000336087469 212891824 /nfs/dbraw/zinc/89/18/24/212891824.db2.gz VSHKHHCXMFATDQ-NHYWBVRUSA-N 1 0 261.344 2.079 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000095081781 364334653 /nfs/dbraw/zinc/33/46/53/364334653.db2.gz TVDSRIBLJSHHOV-UHFFFAOYSA-N 1 0 280.196 2.096 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094593330 364281250 /nfs/dbraw/zinc/28/12/50/364281250.db2.gz XCQHTSDCUYRVJF-AWEZNQCLSA-N 1 0 288.351 2.387 10 30 CEEERO CC(C)C[C@H](C[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592250 364281582 /nfs/dbraw/zinc/28/15/82/364281582.db2.gz RDEXGAZXAJTASD-GFCCVEGCSA-N 1 0 262.313 2.252 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CC#N)cc1 ZINC000335747015 364923359 /nfs/dbraw/zinc/92/33/59/364923359.db2.gz OCPOBHZHVPVUSU-PBHICJAKSA-N 1 0 269.392 2.421 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000118907466 365189269 /nfs/dbraw/zinc/18/92/69/365189269.db2.gz SXGAABYSBPBAKQ-CQSZACIVSA-N 1 0 288.351 2.387 10 30 CEEERO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1[NH+](C)C ZINC000336087468 365390741 /nfs/dbraw/zinc/39/07/41/365390741.db2.gz VSHKHHCXMFATDQ-IAQYHMDHSA-N 1 0 261.344 2.079 10 30 CEEERO COc1cccc(OCC[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000342794535 367539307 /nfs/dbraw/zinc/53/93/07/367539307.db2.gz LMUYOODOQZFVTH-WFASDCNBSA-N 1 0 260.337 2.356 10 30 CEEERO COC(=O)[C@@]1(C)CCCN1Cc1cc(C#N)cs1 ZINC000189991299 369585699 /nfs/dbraw/zinc/58/56/99/369585699.db2.gz PBVICHRCYPKRSD-CYBMUJFWSA-N 1 0 264.350 2.147 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246922437 371031830 /nfs/dbraw/zinc/03/18/30/371031830.db2.gz YMCYONLLLIRLDP-ZENOOKHLSA-N 1 0 297.345 2.400 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000247684125 371135035 /nfs/dbraw/zinc/13/50/35/371135035.db2.gz ZXXGEIMKBSPAGM-CABCVRRESA-N 1 0 263.385 2.156 10 30 CEEERO Cc1nc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000261594329 371668429 /nfs/dbraw/zinc/66/84/29/371668429.db2.gz NLZKUFONIBXJDT-BXKDBHETSA-N 1 0 278.787 2.336 10 30 CEEERO N#Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1F ZINC000361704336 372031296 /nfs/dbraw/zinc/03/12/96/372031296.db2.gz CHVMKFKJMPYUNU-AWEZNQCLSA-N 1 0 262.328 2.434 10 30 CEEERO N#Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382465273 375186363 /nfs/dbraw/zinc/18/63/63/375186363.db2.gz LKSZAVWURSCTEZ-MWLCHTKSSA-N 1 0 260.297 2.006 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382457597 375186466 /nfs/dbraw/zinc/18/64/66/375186466.db2.gz KWTGPVMOEZITAR-CHWSQXEVSA-N 1 0 266.348 2.210 10 30 CEEERO N#Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382472868 375187192 /nfs/dbraw/zinc/18/71/92/375187192.db2.gz QYXJHJSIKLHUIU-GXSJLCMTSA-N 1 0 260.297 2.006 10 30 CEEERO O[C@@H]1CC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C1 ZINC000398746580 375352975 /nfs/dbraw/zinc/35/29/75/375352975.db2.gz SMSCRGMXZMXYHX-BRWVUGGUSA-N 1 0 255.361 2.131 10 30 CEEERO COCC[NH+]1CCC(CNc2c(C#N)cccc2C#N)CC1 ZINC000302457928 379376385 /nfs/dbraw/zinc/37/63/85/379376385.db2.gz QRJDYSISNQTFTQ-UHFFFAOYSA-N 1 0 298.390 2.200 10 30 CEEERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000092955949 184637347 /nfs/dbraw/zinc/63/73/47/184637347.db2.gz UASWAJDJVZIFMX-RKDXNWHRSA-N 1 0 275.377 2.045 10 30 CEEERO C[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251572886 131128936 /nfs/dbraw/zinc/12/89/36/131128936.db2.gz CBNKUNKDWZVVMX-RHSMWYFYSA-N 1 0 287.407 2.209 10 30 CEEERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1[NH+](C)C ZINC000251638505 131130910 /nfs/dbraw/zinc/13/09/10/131130910.db2.gz FUAYPHMRJFCCJB-GXSJLCMTSA-N 1 0 298.312 2.358 10 30 CEEERO C=CCN(Cc1cccs1)C(=O)[C@@H]([NH3+])CCC ZINC000236794430 394487660 /nfs/dbraw/zinc/48/76/60/394487660.db2.gz BOFQGDJFSCTSFD-LBPRGKRZSA-N 1 0 252.383 2.390 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000252962368 394575521 /nfs/dbraw/zinc/57/55/21/394575521.db2.gz OYDCXCHXAJWDBL-FZMZJTMJSA-N 1 0 286.335 2.139 10 30 CEEERO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000359669637 394769913 /nfs/dbraw/zinc/76/99/13/394769913.db2.gz GCQRTUASIOVTPV-CABCVRRESA-N 1 0 271.364 2.170 10 30 CEEERO CC[C@H]1C[N@H+](CC(C)(C)CCC#N)CCN1CCOC ZINC000120980327 394789501 /nfs/dbraw/zinc/78/95/01/394789501.db2.gz JTNNBMVTLOHKPH-HNNXBMFYSA-N 1 0 281.444 2.359 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000177895207 395158251 /nfs/dbraw/zinc/15/82/51/395158251.db2.gz QQSHKXNGQDKNHW-ZDUSSCGKSA-N 1 0 290.342 2.303 10 30 CEEERO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000183226617 395253198 /nfs/dbraw/zinc/25/31/98/395253198.db2.gz UMSDGKVBJFBFGM-DOMZBBRYSA-N 1 0 287.363 2.044 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccccc1 ZINC000192025933 395370234 /nfs/dbraw/zinc/37/02/34/395370234.db2.gz QBZFTCIKKMMKIC-DOTOQJQBSA-N 1 0 254.377 2.207 10 30 CEEERO CCc1nnc(N2CCC[C@H](CC[NH3+])C2)c(C#N)c1CC ZINC000125499903 400278535 /nfs/dbraw/zinc/27/85/35/400278535.db2.gz BZECNSHHVIVQAY-GFCCVEGCSA-N 1 0 287.411 2.038 10 30 CEEERO C[C@H]1CN(Cc2cccc(C#N)c2F)C[C@@H]1[NH+](C)C ZINC000223571929 153318280 /nfs/dbraw/zinc/31/82/80/153318280.db2.gz JNZXNTDLPUZEKZ-FZMZJTMJSA-N 1 0 261.344 2.079 10 30 CEEERO Cc1nc(N[C@H]2CCC[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261585919 153776208 /nfs/dbraw/zinc/77/62/08/153776208.db2.gz UCULEXLQQPWWJP-CABZTGNLSA-N 1 0 264.760 2.454 10 30 CEEERO C[C@H](C[NH3+])Nc1ccc(C#N)cc1Br ZINC000169225597 165034848 /nfs/dbraw/zinc/03/48/48/165034848.db2.gz GGGMXEJQVLNJKO-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO N#Cc1ccc(N2CCC[C@H]2C[NH3+])c(Br)c1 ZINC000169228716 165038460 /nfs/dbraw/zinc/03/84/60/165038460.db2.gz POLJDSWHKYHXHX-JTQLQIEISA-N 1 0 280.169 2.248 10 30 CEEERO N#CCC[n+]1cc(-c2ccc(F)cc2)n2c1CCC2 ZINC000006926516 170255794 /nfs/dbraw/zinc/25/57/94/170255794.db2.gz MPYIUFDKQXGTSL-UHFFFAOYSA-N 1 0 256.304 2.442 10 30 CEEERO C[NH+](C)CCN[C@H](C#N)c1ccc(Br)cc1 ZINC000020176265 171042502 /nfs/dbraw/zinc/04/25/02/171042502.db2.gz SDEUSIQBWVXFJC-GFCCVEGCSA-N 1 0 282.185 2.165 10 30 CEEERO C[C@H]([NH2+]Cc1ccccc1OCC#N)[C@@H]1CCCO1 ZINC000035273742 172094589 /nfs/dbraw/zinc/09/45/89/172094589.db2.gz FGQWZFWFOALZJJ-JSGCOSHPSA-N 1 0 260.337 2.246 10 30 CEEERO CCCOc1c(Cl)cc(C=NNC(N)=[NH2+])cc1OCC ZINC000036511857 172638074 /nfs/dbraw/zinc/63/80/74/172638074.db2.gz BHTGNRBIVMNDCW-IUXPMGMMSA-N 1 0 298.774 2.135 10 30 CEEERO C#CCN1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000037231480 173050239 /nfs/dbraw/zinc/05/02/39/173050239.db2.gz TTXCPAAJPZUCGG-HNNXBMFYSA-N 1 0 256.393 2.477 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)COc2ccc(C)cc2)CC1 ZINC000040499608 174296551 /nfs/dbraw/zinc/29/65/51/174296551.db2.gz RKPWTQXSVRYESY-MRXNPFEDSA-N 1 0 286.419 2.450 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(Cc2cn3ccccc3c2C#N)C1 ZINC000040600270 174350235 /nfs/dbraw/zinc/35/02/35/174350235.db2.gz XNVYMGDIMOUBAE-AWEZNQCLSA-N 1 0 282.391 2.242 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CCC#N)C1CC1 ZINC000043340904 175014252 /nfs/dbraw/zinc/01/42/52/175014252.db2.gz AARWTELJUDSSQS-DZGCQCFKSA-N 1 0 258.369 2.238 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350411 175019852 /nfs/dbraw/zinc/01/98/52/175019852.db2.gz OSIKLBGVARYLKD-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO N#CCc1ccc(O[C@@H](C[NH3+])c2ccncc2)cc1 ZINC000043355189 175022982 /nfs/dbraw/zinc/02/29/82/175022982.db2.gz VNPAPLTYMBQSGL-HNNXBMFYSA-N 1 0 253.305 2.226 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355535 175023003 /nfs/dbraw/zinc/02/30/03/175023003.db2.gz HWUDESUTSNYPDX-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO CC[NH+]1CCC(N(C)C(=O)C(C#N)(CC)CC)CC1 ZINC000044767158 175249791 /nfs/dbraw/zinc/24/97/91/175249791.db2.gz YYUVYPIHEUEVQH-UHFFFAOYSA-N 1 0 265.401 2.259 10 30 CEEERO CCN[C@@](C)(C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000045179477 175324304 /nfs/dbraw/zinc/32/43/04/175324304.db2.gz FKSQDPBVFFFEJZ-MRXNPFEDSA-N 1 0 257.381 2.327 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045307099 175355496 /nfs/dbraw/zinc/35/54/96/175355496.db2.gz RBNOWZXAEPYKPO-ZNMIVQPWSA-N 1 0 267.417 2.158 10 30 CEEERO C[N@H+](CCCC[C@](C)(C#N)NC1CC1)C1CCOCC1 ZINC000045311860 175357356 /nfs/dbraw/zinc/35/73/56/175357356.db2.gz XSRZCTGZVTWQFS-MRXNPFEDSA-N 1 0 279.428 2.302 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045314342 175357504 /nfs/dbraw/zinc/35/75/04/175357504.db2.gz NZWSDLDLFVGPGX-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CC[N@H+](CCC[C@](C)(C#N)NC(C)C)CCOC ZINC000045316886 175358152 /nfs/dbraw/zinc/35/81/52/175358152.db2.gz IQEIQIZQTBWEFQ-CQSZACIVSA-N 1 0 255.406 2.015 10 30 CEEERO COCC[N@H+](C)CCCC[C@](C)(C#N)NC(C)C ZINC000045319041 175359201 /nfs/dbraw/zinc/35/92/01/175359201.db2.gz TXRQPAMKHCRSEH-CQSZACIVSA-N 1 0 255.406 2.015 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000062113514 175662803 /nfs/dbraw/zinc/66/28/03/175662803.db2.gz RYKAKGHDRQBOAM-VIFPVBQESA-N 1 0 283.253 2.125 10 30 CEEERO CCCCCCNC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000070469045 175948709 /nfs/dbraw/zinc/94/87/09/175948709.db2.gz BUIYKJQZIKZIQS-UHFFFAOYSA-N 1 0 276.355 2.446 10 30 CEEERO [NH3+]CC#Cc1cncc(OCc2ccc(F)cc2F)c1 ZINC000070487738 175955124 /nfs/dbraw/zinc/95/51/24/175955124.db2.gz NDAWTUNMBBBBLA-UHFFFAOYSA-N 1 0 274.270 2.249 10 30 CEEERO CC[N@H+](C)CCNc1nc2ccccc2cc1C#N ZINC000071385908 176147338 /nfs/dbraw/zinc/14/73/38/176147338.db2.gz KPPQSDLWZQHFIW-UHFFFAOYSA-N 1 0 254.337 2.470 10 30 CEEERO N#Cc1cc2ccccc2nc1NCC[NH2+]C1CC1 ZINC000071386095 176147455 /nfs/dbraw/zinc/14/74/55/176147455.db2.gz XWFZQEALPBTJQG-UHFFFAOYSA-N 1 0 252.321 2.270 10 30 CEEERO C[C@H](C#N)CN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400817 176153110 /nfs/dbraw/zinc/15/31/10/176153110.db2.gz RRTOPKBMFSRWGG-OCCSQVGLSA-N 1 0 259.353 2.085 10 30 CEEERO N#CCCN(C(=O)CC[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000071400895 176153280 /nfs/dbraw/zinc/15/32/80/176153280.db2.gz XBHQFHINPNCXIM-OAHLLOKOSA-N 1 0 271.364 2.371 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2ccc(F)cc2C1C#N ZINC000071678387 176243745 /nfs/dbraw/zinc/24/37/45/176243745.db2.gz POOYRQOIHYMLQC-AWEZNQCLSA-N 1 0 275.327 2.188 10 30 CEEERO N#CCc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000171887555 261484861 /nfs/dbraw/zinc/48/48/61/261484861.db2.gz XBULDXDDONFBDC-OAHLLOKOSA-N 1 0 284.363 2.065 10 30 CEEERO C=C(Cl)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161422311 262315559 /nfs/dbraw/zinc/31/55/59/262315559.db2.gz PNNHCQLEKZLNJE-NSHDSACASA-N 1 0 254.765 2.230 10 30 CEEERO C=CC[C@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000117034419 276909114 /nfs/dbraw/zinc/90/91/14/276909114.db2.gz CJUQCSHPWLJARA-QWHCGFSZSA-N 1 0 255.406 2.227 10 30 CEEERO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398989756 270365060 /nfs/dbraw/zinc/36/50/60/270365060.db2.gz HAIKQEVUXTTWHB-BJJXKVORSA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1[NH+](C)C ZINC000123981359 274367399 /nfs/dbraw/zinc/36/73/99/274367399.db2.gz FUAYPHMRJFCCJB-KOLCDFICSA-N 1 0 298.312 2.358 10 30 CEEERO N#Cc1cc(F)c(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(F)c1 ZINC000261627641 274919540 /nfs/dbraw/zinc/91/95/40/274919540.db2.gz VNQJUPNLEKOQFJ-MFKMUULPSA-N 1 0 263.291 2.025 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124877209 278313290 /nfs/dbraw/zinc/31/32/90/278313290.db2.gz NOISOLDLLKGBDA-ZYHUDNBSSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1CCCN(c2nccc(C#N)c2Cl)[C@H]1C[NH3+] ZINC000261563020 278485927 /nfs/dbraw/zinc/48/59/27/278485927.db2.gz GSKYSPOEZZLDKG-KOLCDFICSA-N 1 0 264.760 2.170 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000132430438 279421927 /nfs/dbraw/zinc/42/19/27/279421927.db2.gz SXPTYBHWNNWUNH-AAEUAGOBSA-N 1 0 270.380 2.006 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc(C#N)cc1 ZINC000245416910 280238138 /nfs/dbraw/zinc/23/81/38/280238138.db2.gz FOZCUOQGOCFSNO-SJORKVTESA-N 1 0 299.418 2.496 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382457360 321840038 /nfs/dbraw/zinc/84/00/38/321840038.db2.gz RSLKPPMFHYGDAK-QWRGUYRKSA-N 1 0 267.336 2.041 10 30 CEEERO [NH2+]=C(NCC1CCC1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911280 329072161 /nfs/dbraw/zinc/07/21/61/329072161.db2.gz WNUMUXBBFFPNSL-ZIAGYGMSSA-N 1 0 261.344 2.386 10 30 CEEERO CCO[C@@H]1C[C@H]([NH2+]CCCCC#N)C12CCOCC2 ZINC000186316821 329340603 /nfs/dbraw/zinc/34/06/03/329340603.db2.gz XBPKBUAIUSCLDP-UONOGXRCSA-N 1 0 266.385 2.244 10 30 CEEERO [NH2+]=C(NCC1CCC1)N[C@@H]1COc2cccc(Cl)c21 ZINC000262290080 330004561 /nfs/dbraw/zinc/00/45/61/330004561.db2.gz NJYDIBVAFZCIHU-LLVKDONJSA-N 1 0 279.771 2.478 10 30 CEEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)s1)NC(C)C ZINC000262416178 330008985 /nfs/dbraw/zinc/00/89/85/330008985.db2.gz QDYIMMBRRJJKQE-MRVPVSSYSA-N 1 0 275.805 2.008 10 30 CEEERO C[NH+]=C(NCc1cccn1C)N[C@@H]1CCc2ccccc2C1 ZINC000262444286 330013562 /nfs/dbraw/zinc/01/35/62/330013562.db2.gz OQTLDSYECKWLIL-MRXNPFEDSA-N 1 0 296.418 2.248 10 30 CEEERO C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[C@@H]2C(F)(F)F)N1 ZINC000262672173 330025876 /nfs/dbraw/zinc/02/58/76/330025876.db2.gz ROGAAGURBOAIFP-BBBLOLIVSA-N 1 0 263.307 2.292 10 30 CEEERO [NH2+]=C(NC[C@H]1CC12CCOCC2)NC1CCCCC1 ZINC000262773397 330030612 /nfs/dbraw/zinc/03/06/12/330030612.db2.gz HRWRYSXZTDHXEL-GFCCVEGCSA-N 1 0 265.401 2.040 10 30 CEEERO CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CC12CC2 ZINC000263117357 330044537 /nfs/dbraw/zinc/04/45/37/330044537.db2.gz LPBXIILUJIQPHU-CQSZACIVSA-N 1 0 257.381 2.494 10 30 CEEERO CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000336814035 330849543 /nfs/dbraw/zinc/84/95/43/330849543.db2.gz WESOTCZVKKSBKZ-GNRIBBGQSA-N 1 0 264.369 2.390 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000156800995 519796420 /nfs/dbraw/zinc/79/64/20/519796420.db2.gz RVBGOOXTORAPPM-LBPRGKRZSA-N 1 0 276.340 2.276 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+](CCC)CC1 ZINC000068611226 520102815 /nfs/dbraw/zinc/10/28/15/520102815.db2.gz OBFAVQCOMIJCPD-CVEARBPZSA-N 1 0 280.460 2.074 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000334833085 534115094 /nfs/dbraw/zinc/11/50/94/534115094.db2.gz NJAUPBAABMNUGT-FZMZJTMJSA-N 1 0 272.352 2.015 10 30 CEEERO C#CCNC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]CCC ZINC000062747365 518275923 /nfs/dbraw/zinc/27/59/23/518275923.db2.gz GBBJVMMIGDPQDK-GFCCVEGCSA-N 1 0 292.354 2.015 10 30 CEEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CCC)c1cccs1 ZINC000049544661 518284000 /nfs/dbraw/zinc/28/40/00/518284000.db2.gz JRZVRCYCROLBBD-RYUDHWBXSA-N 1 0 264.394 2.317 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729304 518284045 /nfs/dbraw/zinc/28/40/45/518284045.db2.gz MKTWUXXPWSJWGH-ZDUSSCGKSA-N 1 0 288.391 2.091 10 30 CEEERO C=C[C@H](C)Oc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000062734012 519300408 /nfs/dbraw/zinc/30/04/08/519300408.db2.gz SVIBJGIKWMBWRM-NSHDSACASA-N 1 0 279.336 2.105 10 30 CEEERO CC(C)NC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692058 519712532 /nfs/dbraw/zinc/71/25/32/519712532.db2.gz IZYKHXHYEYRTDW-UHFFFAOYSA-N 1 0 265.744 2.180 10 30 CEEERO CC(C)CN(CC(C)C)C(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629576 519713449 /nfs/dbraw/zinc/71/34/49/519713449.db2.gz YYPPURKWUCLAFF-UHFFFAOYSA-N 1 0 287.407 2.146 10 30 CEEERO CC[NH2+]CCCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050617109 519920792 /nfs/dbraw/zinc/92/07/92/519920792.db2.gz BBXBVKPAFBPUOI-UHFFFAOYSA-N 1 0 256.309 2.150 10 30 CEEERO CCC[C@@]1(C(=O)Nc2ccc(OCC#N)cc2)CC[NH2+]C1 ZINC000062899446 520943990 /nfs/dbraw/zinc/94/39/90/520943990.db2.gz UFFBQZKOVCNFRL-MRXNPFEDSA-N 1 0 287.363 2.307 10 30 CEEERO CCCC[C@H](C)NC(=O)c1ccc(OC)c(C#CC[NH3+])c1 ZINC000050891005 521147010 /nfs/dbraw/zinc/14/70/10/521147010.db2.gz CGDBJTWRAUTKKT-ZDUSSCGKSA-N 1 0 288.391 2.314 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1sc(C)c(C)c1C#N ZINC000061318700 521945866 /nfs/dbraw/zinc/94/58/66/521945866.db2.gz ITLAGBAKZJAGBG-UHFFFAOYSA-N 1 0 251.355 2.173 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(Cc2ccc(C#CCO)s2)CC1 ZINC000055069334 522126310 /nfs/dbraw/zinc/12/63/10/522126310.db2.gz ZWEKAMBLYVDXDH-CQSZACIVSA-N 1 0 292.448 2.008 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1cnn(C)c1)N(C)c1ccc(C#N)cc1 ZINC000061949761 522347301 /nfs/dbraw/zinc/34/73/01/522347301.db2.gz RECNKUDWWWOKOL-HOTGVXAUSA-N 1 0 283.379 2.207 10 30 CEEERO CC[C@H]1CCCC[C@H]1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629642 523059322 /nfs/dbraw/zinc/05/93/22/523059322.db2.gz FOOCXHDWWBIYGY-GOEBONIOSA-N 1 0 285.391 2.090 10 30 CEEERO C[N@H+](Cc1ccc(C#CCCO)cc1)Cc1cccnc1 ZINC000049613116 523204638 /nfs/dbraw/zinc/20/46/38/523204638.db2.gz ZXUYBQBFIKXHKI-UHFFFAOYSA-N 1 0 280.371 2.448 10 30 CEEERO C[N@H+](Cc1ccc(F)cc1C#CCCO)[C@@H]1CCSC1 ZINC000049617847 523254111 /nfs/dbraw/zinc/25/41/11/523254111.db2.gz PISSBHQQTSXDRE-MRXNPFEDSA-N 1 0 293.407 2.497 10 30 CEEERO COc1ccc(C#CCCO)cc1C[N@@H+]1CC[C@H](C)C1 ZINC000049613592 523510648 /nfs/dbraw/zinc/51/06/48/523510648.db2.gz WCDZKRUNIDBIFP-AWEZNQCLSA-N 1 0 273.376 2.271 10 30 CEEERO COCC[N@H+](C)CCNc1ccc(C#N)cc1Cl ZINC000062791211 523613122 /nfs/dbraw/zinc/61/31/22/523613122.db2.gz HKQQTBSCZHUWKZ-UHFFFAOYSA-N 1 0 267.760 2.202 10 30 CEEERO Cc1cccc(C(=O)NCc2cccc(C#CC[NH3+])c2)c1 ZINC000049586526 524199305 /nfs/dbraw/zinc/19/93/05/524199305.db2.gz AMOQPXQVCMRXEY-UHFFFAOYSA-N 1 0 278.355 2.235 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCCC[C@H]2CC[NH3+])n1 ZINC000070150372 524213393 /nfs/dbraw/zinc/21/33/93/524213393.db2.gz DTPCWCZNPOXRQJ-ZDUSSCGKSA-N 1 0 258.369 2.278 10 30 CEEERO C[C@@H]1CCC[N@H+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049616038 524228841 /nfs/dbraw/zinc/22/88/41/524228841.db2.gz OMHXMJYGUYSVIZ-OAHLLOKOSA-N 1 0 273.376 2.141 10 30 CEEERO Cc1cccc(C[N@@H+](C)CC2(C=O)CCOCC2)c1 ZINC000052180390 524376245 /nfs/dbraw/zinc/37/62/45/524376245.db2.gz CNMRCUYRKGDGEY-UHFFFAOYSA-N 1 0 261.365 2.423 10 30 CEEERO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#CCCO)C1 ZINC000049613636 524511513 /nfs/dbraw/zinc/51/15/13/524511513.db2.gz FJKQQHVFKLHTRD-CYBMUJFWSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@@H](NC(=O)c1ccco1)c1ccc(C#CC[NH3+])cc1 ZINC000049586731 525357672 /nfs/dbraw/zinc/35/76/72/525357672.db2.gz HDRQLIDRMOTFQY-GFCCVEGCSA-N 1 0 268.316 2.081 10 30 CEEERO Cc1ccc(OCc2cccnc2C#N)c(C#CC[NH3+])c1 ZINC000061659773 525445760 /nfs/dbraw/zinc/44/57/60/525445760.db2.gz VQWLYNXLAQFVRC-UHFFFAOYSA-N 1 0 277.327 2.151 10 30 CEEERO CSc1ccc(NC(=O)c2cncc(C#CC[NH3+])c2)cc1 ZINC000049629303 526039926 /nfs/dbraw/zinc/03/99/26/526039926.db2.gz ONELDOLTHZJWSA-UHFFFAOYSA-N 1 0 297.383 2.366 10 30 CEEERO C[C@@H](c1cccc(C#CC[NH3+])c1)N1CCCCC1=O ZINC000049587788 526065160 /nfs/dbraw/zinc/06/51/60/526065160.db2.gz DGFVXSZSWCUTLW-ZDUSSCGKSA-N 1 0 256.349 2.070 10 30 CEEERO C[C@@H](C#N)Oc1ccc(CC[NH3+])cc1Br ZINC000062703725 526238867 /nfs/dbraw/zinc/23/88/67/526238867.db2.gz DUGZVBBRZDFKID-QMMMGPOBSA-N 1 0 269.142 2.241 10 30 CEEERO N#CC[C@@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000055020410 526480527 /nfs/dbraw/zinc/48/05/27/526480527.db2.gz QNKCYHUYLALTKN-INIZCTEOSA-N 1 0 255.365 2.421 10 30 CEEERO N#Cc1ccc(-n2cc(CCC[NH2+]C3CC3)cn2)cc1 ZINC000054680094 526584224 /nfs/dbraw/zinc/58/42/24/526584224.db2.gz PRRDFEXMWFDLIR-UHFFFAOYSA-N 1 0 266.348 2.429 10 30 CEEERO N#Cc1cccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050939980 526716232 /nfs/dbraw/zinc/71/62/32/526716232.db2.gz ZVIUHGQHWZJTGQ-ZDUSSCGKSA-N 1 0 257.337 2.419 10 30 CEEERO N#Cc1ccccc1CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000070196125 526737653 /nfs/dbraw/zinc/73/76/53/526737653.db2.gz ZPGSDGIZNPBVHU-INIZCTEOSA-N 1 0 263.344 2.448 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)N2Cc3ccccc3C2)cc1 ZINC000050913630 527148204 /nfs/dbraw/zinc/14/82/04/527148204.db2.gz CKYFYPYFMNHVRG-UHFFFAOYSA-N 1 0 276.339 2.153 10 30 CEEERO N#Cc1cc2c(nc1NC1CCC([NH3+])CC1)CCC2 ZINC000051693812 624522660 /nfs/dbraw/zinc/52/26/60/624522660.db2.gz LBJHEXNIHYIZAL-UHFFFAOYSA-N 1 0 256.353 2.124 10 30 CEEERO C#CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C1CCCC1 ZINC000163289096 631173902 /nfs/dbraw/zinc/17/39/02/631173902.db2.gz OMPSDQSHSHUISP-AWEZNQCLSA-N 1 0 279.428 2.304 10 30 CEEERO CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C#N)[NH+]1CCCCC1 ZINC000906900432 636884440 /nfs/dbraw/zinc/88/44/40/636884440.db2.gz HMRAEFMJOZUSTB-CHWSQXEVSA-N 1 0 263.385 2.059 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000229596925 639709452 /nfs/dbraw/zinc/70/94/52/639709452.db2.gz YIDDUWHARITOPE-BXKDBHETSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000229608215 639710277 /nfs/dbraw/zinc/71/02/77/639710277.db2.gz VJGOYDGHIOJELT-GXSJLCMTSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089092127 640041399 /nfs/dbraw/zinc/04/13/99/640041399.db2.gz JEVQNKZKQSDSRA-MNOVXSKESA-N 1 0 260.297 2.006 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000070175102 641641679 /nfs/dbraw/zinc/64/16/79/641641679.db2.gz IMNTWEOGVFBTOC-GHMZBOCLSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000132444882 652521408 /nfs/dbraw/zinc/52/14/08/652521408.db2.gz NOBPYPVMCVYLAX-WCQYABFASA-N 1 0 266.348 2.280 10 30 CEEERO N#CCSCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000173877354 344497836 /nfs/dbraw/zinc/49/78/36/344497836.db2.gz AZIZTBOYQNVDMO-UHFFFAOYSA-N 1 0 264.398 2.236 10 30 CEEERO C=C(Br)C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000235141861 344589848 /nfs/dbraw/zinc/58/98/48/344589848.db2.gz GGNJFNLYCNCQPL-VIFPVBQESA-N 1 0 293.205 2.398 10 30 CEEERO O=C1C=C(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000307042100 344719643 /nfs/dbraw/zinc/71/96/43/344719643.db2.gz ARPPKNIWPMEUKY-OAHLLOKOSA-N 1 0 256.349 2.097 10 30 CEEERO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C ZINC000307249480 344721109 /nfs/dbraw/zinc/72/11/09/344721109.db2.gz JRFYFSRUJLMMQX-SECBINFHSA-N 1 0 262.781 2.489 10 30 CEEERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000300590676 344700528 /nfs/dbraw/zinc/70/05/28/344700528.db2.gz UXYGYRXKXIMWGY-IJEWVQPXSA-N 1 0 274.364 2.076 10 30 CEEERO N#Cc1cncc(NCC[NH2+]C2CCCCCC2)n1 ZINC000401490572 344868537 /nfs/dbraw/zinc/86/85/37/344868537.db2.gz XZESVGFMDBKCGB-UHFFFAOYSA-N 1 0 259.357 2.073 10 30 CEEERO Brc1cscc1C#C[C@H]1CC[NH2+]C1 ZINC000404639054 344881609 /nfs/dbraw/zinc/88/16/09/344881609.db2.gz KPTVLTCILKPCQE-QMMMGPOBSA-N 1 0 256.168 2.472 10 30 CEEERO N#Cc1nnc2ccccc2c1NCCC1(C[NH3+])CC1 ZINC000404861649 344882736 /nfs/dbraw/zinc/88/27/36/344882736.db2.gz WSBYDRCFUXTAMT-UHFFFAOYSA-N 1 0 267.336 2.042 10 30 CEEERO COc1ccc2c(c1)CCCN2CC#CCC[NH+](C)C ZINC000584631635 344970065 /nfs/dbraw/zinc/97/00/65/344970065.db2.gz GEDOSAQRJRBUSQ-UHFFFAOYSA-N 1 0 272.392 2.403 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)[NH+]1CCC(OCC)CC1 ZINC000084293048 178845364 /nfs/dbraw/zinc/84/53/64/178845364.db2.gz MPDVUSYVKOVARG-HIFRSBDPSA-N 1 0 267.417 2.158 10 30 CEEERO CN(CC(C)(C)[NH3+])c1c(C#N)cnc2ccccc21 ZINC000594693828 345673338 /nfs/dbraw/zinc/67/33/38/345673338.db2.gz WBNZZCUHDZRMEQ-UHFFFAOYSA-N 1 0 254.337 2.280 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085369340 179039362 /nfs/dbraw/zinc/03/93/62/179039362.db2.gz OMZQVFKKCUFZTD-ZIAGYGMSSA-N 1 0 275.352 2.039 10 30 CEEERO C[C@H]1CC[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000600955843 346716660 /nfs/dbraw/zinc/71/66/60/346716660.db2.gz SEKNOZRHHIUDGC-JOYOIKCWSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C[NH3+] ZINC000600960817 346719170 /nfs/dbraw/zinc/71/91/70/346719170.db2.gz DOIKHCZEJXDJOW-AAEUAGOBSA-N 1 0 266.348 2.137 10 30 CEEERO N#Cc1nnc2ccccc2c1NC[C@H]1CCCC[NH2+]1 ZINC000085920772 179200469 /nfs/dbraw/zinc/20/04/69/179200469.db2.gz JAFGMJUXHKGBSX-LLVKDONJSA-N 1 0 267.336 2.055 10 30 CEEERO C#CC(C)(C)N1CCC[NH2+][C@@H](Cc2ccccc2)C1 ZINC000086298877 179268660 /nfs/dbraw/zinc/26/86/60/179268660.db2.gz SYIGFBAUAANERD-INIZCTEOSA-N 1 0 256.393 2.305 10 30 CEEERO C=C(Br)COc1ccc(C[NH2+]C)nc1 ZINC000086790492 179334749 /nfs/dbraw/zinc/33/47/49/179334749.db2.gz HMUWFOCBQGVTJQ-UHFFFAOYSA-N 1 0 257.131 2.088 10 30 CEEERO C=CCNC(=O)c1ccc(N[C@@H]2CCC[N@@H+](C)CC2)cc1 ZINC000086818766 179346411 /nfs/dbraw/zinc/34/64/11/179346411.db2.gz XXYQMVFNSPWLFE-OAHLLOKOSA-N 1 0 287.407 2.499 10 30 CEEERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000090336688 179965883 /nfs/dbraw/zinc/96/58/83/179965883.db2.gz PICMMOGJLHJWIC-GXTWGEPZSA-N 1 0 284.363 2.020 10 30 CEEERO C[C@@H](C[NH3+])CSCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000090350192 179972271 /nfs/dbraw/zinc/97/22/71/179972271.db2.gz CLSLAJLOGJVFOS-VIFPVBQESA-N 1 0 297.811 2.478 10 30 CEEERO CCOC(C[NH2+]Cc1ccc(OC)c(C#N)c1)OCC ZINC000090714240 180028502 /nfs/dbraw/zinc/02/85/02/180028502.db2.gz OVRXCTQENIRFOM-UHFFFAOYSA-N 1 0 278.352 2.056 10 30 CEEERO C#CCNC(=O)[C@H](C)Sc1cccc(C[NH2+]CC)c1 ZINC000090871245 180049451 /nfs/dbraw/zinc/04/94/51/180049451.db2.gz TXNZREKGCDRPFL-LBPRGKRZSA-N 1 0 276.405 2.026 10 30 CEEERO N#Cc1ccc(NC(=O)C[C@@H]2CSCC[NH2+]2)cc1Cl ZINC000091134319 180102860 /nfs/dbraw/zinc/10/28/60/180102860.db2.gz RLYACDJGEQNENL-LLVKDONJSA-N 1 0 295.795 2.245 10 30 CEEERO CC[C@H](CC#N)NC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361073 180141089 /nfs/dbraw/zinc/14/10/89/180141089.db2.gz VMXVOYXXEUZIQL-CRWXNKLISA-N 1 0 263.385 2.106 10 30 CEEERO CCc1ccccc1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091461072 180161596 /nfs/dbraw/zinc/16/15/96/180161596.db2.gz VDHLKJFNLOJIAD-UHFFFAOYSA-N 1 0 279.343 2.207 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)Nc1cccnc1C ZINC000091497944 180173162 /nfs/dbraw/zinc/17/31/62/180173162.db2.gz LJSNJJNVKGYGFI-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO C[NH+](C)[C@@H]1CCCN(Cc2cc(C#CCCO)cs2)C1 ZINC000091395609 180145965 /nfs/dbraw/zinc/14/59/65/180145965.db2.gz VYMJTCSGMFTRSY-OAHLLOKOSA-N 1 0 292.448 2.008 10 30 CEEERO C#CCC[C@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646363 180215517 /nfs/dbraw/zinc/21/55/17/180215517.db2.gz NTKCSVHBPLFCCR-INIZCTEOSA-N 1 0 278.440 2.413 10 30 CEEERO C=CC[C@@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646292 180215543 /nfs/dbraw/zinc/21/55/43/180215543.db2.gz IUJUFHNWSSBOOP-CQSZACIVSA-N 1 0 252.402 2.186 10 30 CEEERO C[NH2+]C1CCC(NC(=O)Nc2cccc(C#N)c2)CC1 ZINC000091872346 180277973 /nfs/dbraw/zinc/27/79/73/180277973.db2.gz PNQDXEKTELNXAF-UHFFFAOYSA-N 1 0 272.352 2.210 10 30 CEEERO CC(C)C1CCC(C#N)([C@@]2(O)CC[N@H+](C)C2)CC1 ZINC000091878791 180278789 /nfs/dbraw/zinc/27/87/89/180278789.db2.gz YAQMBZPKPFMHQN-YMAMQOFZSA-N 1 0 250.386 2.409 10 30 CEEERO C[C@](O)([C@@H]1CCC[NH2+]C1)[C@]1(C#N)CCc2ccccc21 ZINC000091879225 180279372 /nfs/dbraw/zinc/27/93/72/180279372.db2.gz GIKGZPRCUSBORL-PVAVHDDUSA-N 1 0 270.376 2.145 10 30 CEEERO C=C(Cl)COc1ccc(C)nc1C[NH2+]CCOC ZINC000091996711 180302736 /nfs/dbraw/zinc/30/27/36/180302736.db2.gz FVTPENPXFREKQM-UHFFFAOYSA-N 1 0 270.760 2.257 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1sc(C)c(C)c1C#N ZINC000092136279 180333284 /nfs/dbraw/zinc/33/32/84/180333284.db2.gz CTTAXXXXMUYKGN-ZETCQYMHSA-N 1 0 251.355 2.031 10 30 CEEERO C[C@H]1C[NH+](Cc2ccc(C#CCO)cc2F)C[C@@H]1C ZINC000092087047 180321195 /nfs/dbraw/zinc/32/11/95/180321195.db2.gz YNPXASZFRULLKV-STQMWFEESA-N 1 0 261.340 2.257 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092204415 180343752 /nfs/dbraw/zinc/34/37/52/180343752.db2.gz OQIQAPATIBURGR-GJZGRUSLSA-N 1 0 286.375 2.113 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(C)c2ncccc12 ZINC000092474257 180393610 /nfs/dbraw/zinc/39/36/10/180393610.db2.gz NRTIMTFRQPFLRR-UHFFFAOYSA-N 1 0 255.321 2.257 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@H]1c1cccc(OC)c1 ZINC000092474588 180393755 /nfs/dbraw/zinc/39/37/55/180393755.db2.gz UHEFLSFAMMIVFV-HNNXBMFYSA-N 1 0 274.364 2.134 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc(C#N)ccc1OC ZINC000130483828 365961280 /nfs/dbraw/zinc/96/12/80/365961280.db2.gz ZYNGMZDIDSSYRV-MRXNPFEDSA-N 1 0 287.407 2.483 10 30 CEEERO CCCCCCCN1CC[NH+]([C@@H](C)C(N)=S)CC1 ZINC000110444304 186296173 /nfs/dbraw/zinc/29/61/73/186296173.db2.gz DRNPNDMLASEGMW-ZDUSSCGKSA-N 1 0 271.474 2.249 10 30 CEEERO CC[C@@H](C#N)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000110513883 186299960 /nfs/dbraw/zinc/29/99/60/186299960.db2.gz MJCVYGQNBGGNRQ-AWEZNQCLSA-N 1 0 288.351 2.015 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])CC1 ZINC000110817764 186327056 /nfs/dbraw/zinc/32/70/56/186327056.db2.gz DABKLFFZSDZORF-CYBMUJFWSA-N 1 0 288.366 2.398 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)CC1 ZINC000110817779 186327592 /nfs/dbraw/zinc/32/75/92/186327592.db2.gz ZQBQVNIBOGKOFD-ZDUSSCGKSA-N 1 0 288.366 2.398 10 30 CEEERO CCCN(C(=O)c1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000110940663 186334453 /nfs/dbraw/zinc/33/44/53/186334453.db2.gz BKMHMVSGKIQLBZ-HNNXBMFYSA-N 1 0 271.364 2.162 10 30 CEEERO CC[C@H]1CN(Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000110718615 186316581 /nfs/dbraw/zinc/31/65/81/186316581.db2.gz DOTRHYLSAWUQCP-AWEZNQCLSA-N 1 0 261.344 2.223 10 30 CEEERO [NH3+]CC#Cc1csc(CSc2ccncn2)c1 ZINC000111114978 186353351 /nfs/dbraw/zinc/35/33/51/186353351.db2.gz CMQJYARZBXCBFM-UHFFFAOYSA-N 1 0 261.375 2.141 10 30 CEEERO N#Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000111243135 186375170 /nfs/dbraw/zinc/37/51/70/186375170.db2.gz ZDBUJBHAMLCFTF-LBPRGKRZSA-N 1 0 283.253 2.039 10 30 CEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000111267557 186383352 /nfs/dbraw/zinc/38/33/52/186383352.db2.gz MQUYZUXJJFLZMG-WFASDCNBSA-N 1 0 287.363 2.163 10 30 CEEERO Cc1nn(C)c(NCCC[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000111615431 186433051 /nfs/dbraw/zinc/43/30/51/186433051.db2.gz OUXYQWXZGQUKEJ-LBPRGKRZSA-N 1 0 275.400 2.277 10 30 CEEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1ccnc(C)n1 ZINC000072479143 363139289 /nfs/dbraw/zinc/13/92/89/363139289.db2.gz JGUUSYZIGBYDGF-HNNXBMFYSA-N 1 0 291.395 2.221 10 30 CEEERO N#Cc1cc(F)c(N[C@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000133698138 187701875 /nfs/dbraw/zinc/70/18/75/187701875.db2.gz PACRULXZGYJBDX-SKDRFNHKSA-N 1 0 251.280 2.376 10 30 CEEERO C#CCCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000156027860 188239986 /nfs/dbraw/zinc/23/99/86/188239986.db2.gz JDFAEPXMEAOFAY-MRXNPFEDSA-N 1 0 272.392 2.079 10 30 CEEERO CCC[C@@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+](C)C ZINC000133041173 366190853 /nfs/dbraw/zinc/19/08/53/366190853.db2.gz XVQLJYNYEKEEJT-ZDUSSCGKSA-N 1 0 263.316 2.366 10 30 CEEERO CCC1(C)CC[NH+](Cc2nn(C)cc2CC#N)CC1 ZINC000675056572 540075405 /nfs/dbraw/zinc/07/54/05/540075405.db2.gz SEKKXSRXLXUVQI-UHFFFAOYSA-N 1 0 260.385 2.498 10 30 CEEERO N#Cc1cc(Br)ccc1N1CCC[C@@H](C[NH3+])C1 ZINC000229247433 283087138 /nfs/dbraw/zinc/08/71/38/283087138.db2.gz OJYYBOLGXPYCIA-JTQLQIEISA-N 1 0 294.196 2.496 10 30 CEEERO CC1(C)C[NH+](Cc2cc(C#CCO)cs2)CC(C)(C)O1 ZINC000226438961 540164665 /nfs/dbraw/zinc/16/46/65/540164665.db2.gz UUJKIHACGXAEPW-UHFFFAOYSA-N 1 0 293.432 2.481 10 30 CEEERO N#Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc2ccccc12 ZINC000261758663 283106590 /nfs/dbraw/zinc/10/65/90/283106590.db2.gz USNRRRVCCWPWNB-WFASDCNBSA-N 1 0 278.359 2.295 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000252844214 283108926 /nfs/dbraw/zinc/10/89/26/283108926.db2.gz DLWTWOATWVARCE-BPNCWPANSA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCC[NH2+]C1 ZINC000094337438 283136691 /nfs/dbraw/zinc/13/66/91/283136691.db2.gz XDLFYPXQPFYZBR-VIFPVBQESA-N 1 0 270.258 2.136 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)nn1 ZINC000301968633 283158201 /nfs/dbraw/zinc/15/82/01/283158201.db2.gz PRMFOBDKACOKFE-MRXNPFEDSA-N 1 0 293.374 2.107 10 30 CEEERO N#Cc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F ZINC000090322950 283172417 /nfs/dbraw/zinc/17/24/17/283172417.db2.gz ZKPVMGLXTNLBHZ-PHIMTYICSA-N 1 0 281.281 2.233 10 30 CEEERO COc1cc(OC)c(C[N+](=O)C(C)(C)C)c(OC)c1 ZINC000000006331 361116350 /nfs/dbraw/zinc/11/63/50/361116350.db2.gz PHKZCVKPGLECTC-DHDCSXOGSA-N 1 0 267.325 2.440 10 30 CEEERO C#CC[N@@H+](C[C@@H](O)COCc1ccccc1)C1CCCC1 ZINC000154978818 366801530 /nfs/dbraw/zinc/80/15/30/366801530.db2.gz LGDGNCDMTIWNBG-GOSISDBHSA-N 1 0 287.403 2.442 10 30 CEEERO Cc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)c(C#N)c(C)n1 ZINC000301785999 201196676 /nfs/dbraw/zinc/19/66/76/201196676.db2.gz PASSOXYLIZZELS-CYBMUJFWSA-N 1 0 258.369 2.465 10 30 CEEERO CCC[NH2+]CCNc1nc(C(F)(F)F)ccc1C#N ZINC000094337390 364266377 /nfs/dbraw/zinc/26/63/77/364266377.db2.gz LFMFDXWWXDDKOI-UHFFFAOYSA-N 1 0 272.274 2.384 10 30 CEEERO N#CCc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000335867065 365090734 /nfs/dbraw/zinc/09/07/34/365090734.db2.gz HFTXCILZWGPKAR-MRXNPFEDSA-N 1 0 255.365 2.033 10 30 CEEERO C=CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000116855367 365073338 /nfs/dbraw/zinc/07/33/38/365073338.db2.gz RFGQVRWKAYEUSO-DZGCQCFKSA-N 1 0 260.381 2.240 10 30 CEEERO COc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000342794532 367539660 /nfs/dbraw/zinc/53/96/60/367539660.db2.gz LMUYOODOQZFVTH-IUODEOHRSA-N 1 0 260.337 2.356 10 30 CEEERO C=CCSCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171614770 367579250 /nfs/dbraw/zinc/57/92/50/367579250.db2.gz ZHKMIKUZZSDZPC-OAHLLOKOSA-N 1 0 292.448 2.195 10 30 CEEERO C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171662357 367586768 /nfs/dbraw/zinc/58/67/68/367586768.db2.gz QZGOHYJYQQIHIO-INIZCTEOSA-N 1 0 272.392 2.360 10 30 CEEERO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000171693225 367596769 /nfs/dbraw/zinc/59/67/69/367596769.db2.gz ZINBESAVYZSFQF-STQMWFEESA-N 1 0 268.426 2.013 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000172054917 367665182 /nfs/dbraw/zinc/66/51/82/367665182.db2.gz OUCAICZZANWXFI-XJKSGUPXSA-N 1 0 283.375 2.061 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)s1 ZINC000245729773 370865693 /nfs/dbraw/zinc/86/56/93/370865693.db2.gz JMYOTCUNXMMWFA-RYUDHWBXSA-N 1 0 261.394 2.288 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245990856 370897450 /nfs/dbraw/zinc/89/74/50/370897450.db2.gz GGSVAJIQBCMZSJ-GJZGRUSLSA-N 1 0 275.396 2.143 10 30 CEEERO Cc1nc(N2CCC([NH2+]CC3CC3)CC2)ccc1C#N ZINC000261684025 371701683 /nfs/dbraw/zinc/70/16/83/371701683.db2.gz HDHGTAWIWBMLAQ-UHFFFAOYSA-N 1 0 270.380 2.230 10 30 CEEERO C[N@H+](CCO)C1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000272251881 373386837 /nfs/dbraw/zinc/38/68/37/373386837.db2.gz SSEIWULFCUISKI-UHFFFAOYSA-N 1 0 293.798 2.105 10 30 CEEERO CC[N@@H+]1CC[C@@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000389126188 375297709 /nfs/dbraw/zinc/29/77/09/375297709.db2.gz DCXWDHLTIFZECP-LLVKDONJSA-N 1 0 267.336 2.008 10 30 CEEERO CC#CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495814717 381188444 /nfs/dbraw/zinc/18/84/44/381188444.db2.gz RRCOLKJIAVEPCE-LBPRGKRZSA-N 1 0 266.385 2.245 10 30 CEEERO C[C@@H]1CCC[C@H](C)N1C(=O)c1csc(C#CC[NH3+])c1 ZINC000093975695 184747161 /nfs/dbraw/zinc/74/71/61/184747161.db2.gz CZHBIGMNZSPTIM-TXEJJXNPSA-N 1 0 276.405 2.461 10 30 CEEERO Cc1ccccc1CCNC(=O)c1sccc1C#CC[NH3+] ZINC000094186652 184760804 /nfs/dbraw/zinc/76/08/04/184760804.db2.gz CXPDFJPXECRSEN-UHFFFAOYSA-N 1 0 298.411 2.339 10 30 CEEERO [NH3+]CCc1ccc(OCC#Cc2ccccc2)cn1 ZINC000094215198 184763609 /nfs/dbraw/zinc/76/36/09/184763609.db2.gz FFJLYZNXCSPBDF-UHFFFAOYSA-N 1 0 252.317 2.013 10 30 CEEERO C[NH+](C)CCCOc1nc(C(F)(F)F)ccc1C#N ZINC000094335726 184783085 /nfs/dbraw/zinc/78/30/85/184783085.db2.gz XXYCRWZZMKJXFG-UHFFFAOYSA-N 1 0 273.258 2.303 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000094592264 184822482 /nfs/dbraw/zinc/82/24/82/184822482.db2.gz VXWLYBFMEPHYKL-NSHDSACASA-N 1 0 274.324 2.032 10 30 CEEERO CCc1nnc(N2CC[C@H]([N@@H+](C)CC)C2)c(C#N)c1CC ZINC000302757822 394477290 /nfs/dbraw/zinc/47/72/90/394477290.db2.gz JCCQFOQHXGTXRG-LBPRGKRZSA-N 1 0 287.411 2.003 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000252875824 394574755 /nfs/dbraw/zinc/57/47/55/394574755.db2.gz VVWOLRRINGVJCF-UBHSHLNASA-N 1 0 286.335 2.030 10 30 CEEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccccc1C ZINC000181534161 395219651 /nfs/dbraw/zinc/21/96/51/395219651.db2.gz LFXOLHVFJPVAFR-AWEZNQCLSA-N 1 0 273.380 2.408 10 30 CEEERO N#Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000131804057 162299270 /nfs/dbraw/zinc/29/92/70/162299270.db2.gz SIGTYRBIYTYPQD-JOYOIKCWSA-N 1 0 260.297 2.006 10 30 CEEERO CC[NH2+]CCNc1ccc(Br)cc1C#N ZINC000165300964 162343328 /nfs/dbraw/zinc/34/33/28/162343328.db2.gz XXBTWUDHZAYQSR-UHFFFAOYSA-N 1 0 268.158 2.342 10 30 CEEERO N#Cc1ccccc1OCCN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248357865 162500973 /nfs/dbraw/zinc/50/09/73/162500973.db2.gz PZWBVBCWCZGMAY-INIZCTEOSA-N 1 0 285.391 2.107 10 30 CEEERO C=C[C@@H]1[C@H]2C=C(C)C[C@]1([NH+](C)C)c1ccc(=O)[nH]c1C2 ZINC000005423887 170097553 /nfs/dbraw/zinc/09/75/53/170097553.db2.gz GDGWMBXSNPMXBY-OGHNNQOOSA-N 1 0 270.376 2.456 10 30 CEEERO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(/C(N)=N/O)cc2)C1 ZINC000019482267 170810423 /nfs/dbraw/zinc/81/04/23/170810423.db2.gz NYZZTDLHIYJRAG-VXGBXAGGSA-N 1 0 261.369 2.259 10 30 CEEERO Cc1c[n+](CC(=O)c2ccc(C)cc2)c2n1CCC2 ZINC000028047833 171545966 /nfs/dbraw/zinc/54/59/66/171545966.db2.gz XXEAIAFANMEWBZ-UHFFFAOYSA-N 1 0 255.341 2.222 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035179978 172033568 /nfs/dbraw/zinc/03/35/68/172033568.db2.gz YUMVENNITHPYPA-DOMZBBRYSA-N 1 0 258.365 2.344 10 30 CEEERO N#Cc1c(NC(=O)C2CCCC2)sc2c1CC[NH2+]C2 ZINC000035248163 172078791 /nfs/dbraw/zinc/07/87/91/172078791.db2.gz OFQLNYHZCZRNDV-UHFFFAOYSA-N 1 0 275.377 2.394 10 30 CEEERO Clc1ccc(C#CCN2CC[NH2+]CC2)cc1Cl ZINC000037547790 173264670 /nfs/dbraw/zinc/26/46/70/173264670.db2.gz ZIHJBHLDBJJKEM-UHFFFAOYSA-N 1 0 269.175 2.250 10 30 CEEERO CCCN(c1ccc(C#N)cn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748898 174393921 /nfs/dbraw/zinc/39/39/21/174393921.db2.gz HBNMODWDCUMWEE-YIONKMFJSA-N 1 0 270.380 2.453 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CCC#N)C(C)C ZINC000043354633 175022344 /nfs/dbraw/zinc/02/23/44/175022344.db2.gz UIFQPAKYWLYCOU-LSDHHAIUSA-N 1 0 260.385 2.484 10 30 CEEERO Cc1ccc([C@H](C[NH3+])N(CCC#N)Cc2cccnc2)o1 ZINC000043363903 175024977 /nfs/dbraw/zinc/02/49/77/175024977.db2.gz SXDGLRKFZXKVMX-HNNXBMFYSA-N 1 0 284.363 2.399 10 30 CEEERO [NH3+]CC#Cc1csc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043689141 175096301 /nfs/dbraw/zinc/09/63/01/175096301.db2.gz WIRMKLBMVJZCSS-HOTGVXAUSA-N 1 0 290.432 2.202 10 30 CEEERO CC[N@@H+]1CC[C@@H](CNC(=O)C2(C#N)CCCCCC2)C1 ZINC000044765986 175248959 /nfs/dbraw/zinc/24/89/59/175248959.db2.gz YUBYDVKYPLEGOO-AWEZNQCLSA-N 1 0 277.412 2.309 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)C2(C#N)CCCCCC2)C1 ZINC000044766544 175249328 /nfs/dbraw/zinc/24/93/28/175249328.db2.gz YPBLOILTYQZPDF-AWEZNQCLSA-N 1 0 277.412 2.451 10 30 CEEERO CC(C)CN(CC[NH+](C)C)C(=O)C1(C#N)CCCC1 ZINC000044767252 175250175 /nfs/dbraw/zinc/25/01/75/175250175.db2.gz QCTIDKFWVCPFNW-UHFFFAOYSA-N 1 0 265.401 2.117 10 30 CEEERO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(C#N)cc2N)C1 ZINC000045118689 175311791 /nfs/dbraw/zinc/31/17/91/175311791.db2.gz SYUMFNGOXCLUIJ-ZDUSSCGKSA-N 1 0 258.369 2.283 10 30 CEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)CCc1ccccn1 ZINC000045178539 175324206 /nfs/dbraw/zinc/32/42/06/175324206.db2.gz YMKDLYKODDRNJS-INIZCTEOSA-N 1 0 274.412 2.226 10 30 CEEERO CN[C@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318477 175358998 /nfs/dbraw/zinc/35/89/98/175358998.db2.gz KPWZUWRAORTIAL-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052759627 175537436 /nfs/dbraw/zinc/53/74/36/175537436.db2.gz ADPBOZCEQKSSDC-OAHLLOKOSA-N 1 0 274.364 2.174 10 30 CEEERO CN(C(=O)c1ccc(CC[NH3+])cc1)c1cccc(C#N)c1 ZINC000070553014 175981658 /nfs/dbraw/zinc/98/16/58/175981658.db2.gz SKHWRXDEGTXNHE-UHFFFAOYSA-N 1 0 279.343 2.336 10 30 CEEERO C=C(Br)CSc1nnc(C[NH3+])n1C1CC1 ZINC000070945225 176016823 /nfs/dbraw/zinc/01/68/23/176016823.db2.gz GIVDSYRFORAQRU-UHFFFAOYSA-N 1 0 289.202 2.072 10 30 CEEERO C[C@H]1CCC[C@H]1NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000071210984 176083264 /nfs/dbraw/zinc/08/32/64/176083264.db2.gz HHJLDNBINKPUMF-XHDPSFHLSA-N 1 0 274.339 2.054 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)C2CCCCC2)s1 ZINC000071322756 176123220 /nfs/dbraw/zinc/12/32/20/176123220.db2.gz XFZIALYLXMHMJE-UHFFFAOYSA-N 1 0 276.405 2.255 10 30 CEEERO CC(C)(C)CC(=O)NCc1ccc(C#CC[NH3+])s1 ZINC000071322879 176123536 /nfs/dbraw/zinc/12/35/36/176123536.db2.gz YEGDXAXKJXPATQ-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO N#Cc1ccccc1CSc1nnc(C[NH3+])n1C1CC1 ZINC000071375692 176140435 /nfs/dbraw/zinc/14/04/35/176140435.db2.gz PVGXRFXSLZIIMI-UHFFFAOYSA-N 1 0 285.376 2.236 10 30 CEEERO C=CCNC(=O)COc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406600 176155733 /nfs/dbraw/zinc/15/57/33/176155733.db2.gz WLRLIYPVKDJLFC-UHFFFAOYSA-N 1 0 276.380 2.174 10 30 CEEERO CC(C)CN1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680411 176244613 /nfs/dbraw/zinc/24/46/13/176244613.db2.gz RSFNSPBFEXRLRJ-HNNXBMFYSA-N 1 0 271.364 2.425 10 30 CEEERO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000532749011 269965915 /nfs/dbraw/zinc/96/59/15/269965915.db2.gz VEBGZWFOJXTERO-UKRRQHHQSA-N 1 0 269.348 2.371 10 30 CEEERO C[C@H]1[C@H]([NH3+])CCN1c1c(C#N)cnc2ccccc21 ZINC000261629205 274643149 /nfs/dbraw/zinc/64/31/49/274643149.db2.gz VPXBMLWNKVJUOB-GXFFZTMASA-N 1 0 252.321 2.032 10 30 CEEERO N#Cc1cc(Br)ccc1N1CCC[C@@H]([NH3+])C1 ZINC000165299252 274918961 /nfs/dbraw/zinc/91/89/61/274918961.db2.gz YWVXBUJICKNGDV-LLVKDONJSA-N 1 0 280.169 2.248 10 30 CEEERO CC1(C)CN(C(=O)NCC2CCC(C#N)CC2)CC[C@H]1[NH3+] ZINC000334930698 281171646 /nfs/dbraw/zinc/17/16/46/281171646.db2.gz CFWXYAHFNPYKCO-JXQTWKCFSA-N 1 0 292.427 2.085 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000175044696 281191113 /nfs/dbraw/zinc/19/11/13/281191113.db2.gz YXQCCJKVEBRNBH-JKSUJKDBSA-N 1 0 283.375 2.257 10 30 CEEERO CC[NH2+][C@H](C)CNc1nc2c(cc1C#N)CCCC2 ZINC000387527454 321879314 /nfs/dbraw/zinc/87/93/14/321879314.db2.gz LOUUQJAHFREBCE-LLVKDONJSA-N 1 0 258.369 2.242 10 30 CEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC(OCC2CC2)CC1 ZINC000261655103 329974699 /nfs/dbraw/zinc/97/46/99/329974699.db2.gz AJPVAXPAINXNGV-CQSZACIVSA-N 1 0 279.428 2.251 10 30 CEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@@H]1C[C@H]1C ZINC000262438710 330012934 /nfs/dbraw/zinc/01/29/34/330012934.db2.gz GZYJSCLTQPDREB-HLTSFMKQSA-N 1 0 287.816 2.008 10 30 CEEERO CCN(CC)C(=[NH2+])NC[C@H](O)c1ccc(Cl)s1 ZINC000262519937 330019200 /nfs/dbraw/zinc/01/92/00/330019200.db2.gz HWNHXQLOQXZYNJ-QMMMGPOBSA-N 1 0 275.805 2.091 10 30 CEEERO COC(=O)c1cc(CNC(=[NH2+])N2CCCCCC2)oc1C ZINC000262561300 330021426 /nfs/dbraw/zinc/02/14/26/330021426.db2.gz WJTIROHORGIQTO-UHFFFAOYSA-N 1 0 293.367 2.065 10 30 CEEERO CCOc1ccc(CNC2=[NH+]C[C@H](C)N2)cc1Cl ZINC000262636444 330023694 /nfs/dbraw/zinc/02/36/94/330023694.db2.gz GYYMQXVWVNFCMN-VIFPVBQESA-N 1 0 267.760 2.176 10 30 CEEERO [NH2+]=C(NCCc1c[nH]c2ncccc12)NC1CCCCC1 ZINC000262771670 330030406 /nfs/dbraw/zinc/03/04/06/330030406.db2.gz HUPJGXBYUZMIEL-UHFFFAOYSA-N 1 0 285.395 2.342 10 30 CEEERO [NH2+]=C(NC[C@H]1CC12CC2)Nc1cc(F)ccc1F ZINC000263060172 330041490 /nfs/dbraw/zinc/04/14/90/330041490.db2.gz FJUZJJNLXKVHKX-MRVPVSSYSA-N 1 0 251.280 2.492 10 30 CEEERO COc1cccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)c1 ZINC000263112528 330044202 /nfs/dbraw/zinc/04/42/02/330044202.db2.gz BDWQJOCIXNAIFG-UWVGGRQHSA-N 1 0 255.268 2.075 10 30 CEEERO CN1CCC[NH+]=C1N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000263151152 330046070 /nfs/dbraw/zinc/04/60/70/330046070.db2.gz PLZATWVSIHJKSB-QWHCGFSZSA-N 1 0 295.333 2.425 10 30 CEEERO CCOc1ccc(CNC(=[NH2+])N2CCC2)cc1Cl ZINC000263194756 330048637 /nfs/dbraw/zinc/04/86/37/330048637.db2.gz WFBKCGPRXVOLAI-UHFFFAOYSA-N 1 0 267.760 2.259 10 30 CEEERO C=C(C)COCC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186420784 333160441 /nfs/dbraw/zinc/16/04/41/333160441.db2.gz ORXTXFKXOHDSCJ-LSDHHAIUSA-N 1 0 283.412 2.143 10 30 CEEERO CCCN[C@@H](C#N)CC[N@@H+]1CCC[C@H](OCCC)C1 ZINC000062437890 519984654 /nfs/dbraw/zinc/98/46/54/519984654.db2.gz ACTRNYVHOHSTAY-CABCVRRESA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)[NH+]1CCC(COC)CC1 ZINC000068616638 520030641 /nfs/dbraw/zinc/03/06/41/520030641.db2.gz JVWZDFSXZLXQGR-GOEBONIOSA-N 1 0 281.444 2.405 10 30 CEEERO CC[N@H+](CCOc1ccc(C#CCO)cc1)C(C)C ZINC000049617436 521150763 /nfs/dbraw/zinc/15/07/63/521150763.db2.gz HMFPXVKLBKZGJK-UHFFFAOYSA-N 1 0 261.365 2.140 10 30 CEEERO CC#CCOc1ccc(C[NH2+]CCOC)cc1Cl ZINC000062730556 519345178 /nfs/dbraw/zinc/34/51/78/519345178.db2.gz HDLZCBAPTMYWKH-UHFFFAOYSA-N 1 0 267.756 2.478 10 30 CEEERO CC(C)CC(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586918 519574549 /nfs/dbraw/zinc/57/45/49/519574549.db2.gz XCXMUJVSZWRXHA-UHFFFAOYSA-N 1 0 258.365 2.001 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613207 519735523 /nfs/dbraw/zinc/73/55/23/519735523.db2.gz UFSAITGYUNGBES-NVXWUHKLSA-N 1 0 294.487 2.461 10 30 CEEERO CC(C)COC(=O)NCc1cc(C#CC[NH3+])ccc1F ZINC000049587442 519750901 /nfs/dbraw/zinc/75/09/01/519750901.db2.gz HUVKYOVFZVVTHD-UHFFFAOYSA-N 1 0 278.327 2.018 10 30 CEEERO CCC[NH+]1CCC(NC(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061615020 519845788 /nfs/dbraw/zinc/84/57/88/519845788.db2.gz CHKLEGRCYXTAEN-INIZCTEOSA-N 1 0 285.391 2.284 10 30 CEEERO CCCC1CC[NH+](CCC(=O)N(C)CCC#N)CC1 ZINC000050893778 519900765 /nfs/dbraw/zinc/90/07/65/519900765.db2.gz RCKCWXINGZDUJN-UHFFFAOYSA-N 1 0 265.401 2.261 10 30 CEEERO CC[NH2+]Cc1nccn1Cc1ccc(C#N)cc1F ZINC000051004899 520023756 /nfs/dbraw/zinc/02/37/56/520023756.db2.gz KFBZJFOYPLAUNX-UHFFFAOYSA-N 1 0 258.300 2.052 10 30 CEEERO CC1CC[NH+](Cc2ccc(F)cc2C#CCO)CC1 ZINC000049615550 521026118 /nfs/dbraw/zinc/02/61/18/521026118.db2.gz MZNJCYXTVCDXCL-UHFFFAOYSA-N 1 0 261.340 2.401 10 30 CEEERO CCCC[C@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000050890997 521146678 /nfs/dbraw/zinc/14/66/78/521146678.db2.gz KFZBDASWHVMDCF-LBPRGKRZSA-N 1 0 276.355 2.444 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000069461739 521296365 /nfs/dbraw/zinc/29/63/65/521296365.db2.gz QZBWUVHOVGCNNM-UHFFFAOYSA-N 1 0 276.355 2.397 10 30 CEEERO CC[N@H+](Cc1ccc(OC)c(C#CCCO)c1)C1CC1 ZINC000049617354 521321974 /nfs/dbraw/zinc/32/19/74/521321974.db2.gz QMZHDRUQMXQJGP-UHFFFAOYSA-N 1 0 273.376 2.413 10 30 CEEERO CC[N@@H+](Cc1ccccc1C#CCCO)C[C@H]1CCCO1 ZINC000049613763 521376335 /nfs/dbraw/zinc/37/63/35/521376335.db2.gz RLDWCCAWFZDXMS-GOSISDBHSA-N 1 0 287.403 2.421 10 30 CEEERO CCC(CC)C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586540 521497951 /nfs/dbraw/zinc/49/79/51/521497951.db2.gz LHLYFBPUYQRDAM-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CCC(CC)CN(CC)C(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629604 521519738 /nfs/dbraw/zinc/51/97/38/521519738.db2.gz ADNSDOVFJHHGNI-UHFFFAOYSA-N 1 0 287.407 2.290 10 30 CEEERO CC[C@H](C)[C@@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049105807 521816569 /nfs/dbraw/zinc/81/65/69/521816569.db2.gz OURHGXIECODPOQ-NWDGAFQWSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@@H](C)C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586946 521902070 /nfs/dbraw/zinc/90/20/70/521902070.db2.gz PHCRUJJRZSYROW-CYBMUJFWSA-N 1 0 258.365 2.001 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000055070155 522117890 /nfs/dbraw/zinc/11/78/90/522117890.db2.gz UNZLFSIFHJTRMF-IAGOWNOFSA-N 1 0 294.487 2.463 10 30 CEEERO CC[C@H](NC(=O)c1ccccc1C#CC[NH3+])C(C)C ZINC000049148547 522544950 /nfs/dbraw/zinc/54/49/50/522544950.db2.gz ICNXWRKVQDCYDK-HNNXBMFYSA-N 1 0 258.365 2.161 10 30 CEEERO C[N@H+](CCOc1cccc(C#CCO)c1)C1CCCC1 ZINC000049617534 522911023 /nfs/dbraw/zinc/91/10/23/522911023.db2.gz QAITVQCGEPBBLU-UHFFFAOYSA-N 1 0 273.376 2.284 10 30 CEEERO C[N@H+](Cc1ccc(F)c(C#CCCO)c1)[C@H]1CCSC1 ZINC000049617853 523238129 /nfs/dbraw/zinc/23/81/29/523238129.db2.gz UXXSTHSBDXPWEA-HNNXBMFYSA-N 1 0 293.407 2.497 10 30 CEEERO C[N@H+](Cc1ccncc1)Cc1ccc(F)c(C#CCO)c1 ZINC000049613173 523462277 /nfs/dbraw/zinc/46/22/77/523462277.db2.gz GBICTVBFVWNZSW-UHFFFAOYSA-N 1 0 284.334 2.197 10 30 CEEERO CCc1c(C)nn(Cc2ccccc2C#CC[NH3+])c1C ZINC000049610256 523715843 /nfs/dbraw/zinc/71/58/43/523715843.db2.gz KNTWRHHWVUWPAU-UHFFFAOYSA-N 1 0 267.376 2.421 10 30 CEEERO CC[C@H](C)C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587224 523835832 /nfs/dbraw/zinc/83/58/32/523835832.db2.gz FKXNHQALBCQOEO-QWHCGFSZSA-N 1 0 258.365 2.220 10 30 CEEERO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cnn2ccncc12 ZINC000329271498 534762565 /nfs/dbraw/zinc/76/25/65/534762565.db2.gz ICSOMQQKWZYQFQ-GFCCVEGCSA-N 1 0 299.378 2.051 10 30 CEEERO C[C@H]1CCC[C@@H](N(C)C(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000049629613 524142381 /nfs/dbraw/zinc/14/23/81/524142381.db2.gz CSMYRVZGSLEADW-XJKSGUPXSA-N 1 0 285.391 2.043 10 30 CEEERO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#CCCO)C1 ZINC000049613638 524295075 /nfs/dbraw/zinc/29/50/75/524295075.db2.gz FJKQQHVFKLHTRD-ZDUSSCGKSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@@H]([NH3+])[C@H](c1cccnc1)N(C)c1cccc(C#N)c1 ZINC000061950327 525017721 /nfs/dbraw/zinc/01/77/21/525017721.db2.gz XYBDYJVZPCRWJA-MLGOLLRUSA-N 1 0 266.348 2.478 10 30 CEEERO Cc1ccccc1C(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586404 525057642 /nfs/dbraw/zinc/05/76/42/525057642.db2.gz AQJVFSHICWKGEJ-UHFFFAOYSA-N 1 0 278.355 2.235 10 30 CEEERO Cc1cc(SCc2cccc(C#CC[NH3+])c2)n(C)n1 ZINC000052311597 525437573 /nfs/dbraw/zinc/43/75/73/525437573.db2.gz ZOXZRCKNQWXDEN-UHFFFAOYSA-N 1 0 271.389 2.331 10 30 CEEERO Cc1ccoc1C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586760 525786444 /nfs/dbraw/zinc/78/64/44/525786444.db2.gz AULRKMITEXOTKR-CYBMUJFWSA-N 1 0 282.343 2.389 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000070256129 526568456 /nfs/dbraw/zinc/56/84/56/526568456.db2.gz RFFQNRLILNQVTE-GFCCVEGCSA-N 1 0 273.311 2.026 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]1CC[NH3+] ZINC000070150321 526576516 /nfs/dbraw/zinc/57/65/16/526576516.db2.gz HPCYNJDUERPQJZ-GFCCVEGCSA-N 1 0 274.324 2.174 10 30 CEEERO N#Cc1ncccc1C[NH2+]CCc1cccc(F)c1 ZINC000061657506 526790112 /nfs/dbraw/zinc/79/01/12/526790112.db2.gz JLAAPAAFTVAWCT-UHFFFAOYSA-N 1 0 255.296 2.425 10 30 CEEERO [NH3+]CC#Cc1ccc(CN2CCCCCCC2=O)c(F)c1 ZINC000049610002 527148718 /nfs/dbraw/zinc/14/87/18/527148718.db2.gz INYYBKNLYQCZLF-UHFFFAOYSA-N 1 0 288.366 2.429 10 30 CEEERO [NH3+]CC#Cc1ccccc1CN1CCCCCCC1=O ZINC000049610000 527153200 /nfs/dbraw/zinc/15/32/00/527153200.db2.gz APMSBBUVYUBFIZ-UHFFFAOYSA-N 1 0 270.376 2.290 10 30 CEEERO C[NH2+][C@H](C)c1cc(F)c(C)cc1N1CCO[C@H](C#N)C1 ZINC000094767017 536406781 /nfs/dbraw/zinc/40/67/81/536406781.db2.gz GMOSSAFEMDXILN-VXGBXAGGSA-N 1 0 277.343 2.143 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CCC[C@H]([NH3+])C1 ZINC000071386039 623383299 /nfs/dbraw/zinc/38/32/99/623383299.db2.gz RELBTMRDBWLZGE-ZDUSSCGKSA-N 1 0 252.321 2.034 10 30 CEEERO C#CCCCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245576660 624955541 /nfs/dbraw/zinc/95/55/41/624955541.db2.gz FFIIZMWYINSPSP-UONOGXRCSA-N 1 0 250.386 2.025 10 30 CEEERO C[NH2+]CC1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000063166339 628576038 /nfs/dbraw/zinc/57/60/38/628576038.db2.gz LJZQHOBETGMFLM-UHFFFAOYSA-N 1 0 284.407 2.268 10 30 CEEERO N#Cc1ccnc(NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000261740859 629174515 /nfs/dbraw/zinc/17/45/15/629174515.db2.gz LYEWBNCCXOZBEL-HNNXBMFYSA-N 1 0 264.332 2.252 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccccc2C#N)C1 ZINC000193685706 640594149 /nfs/dbraw/zinc/59/41/49/640594149.db2.gz RLRPMHRAXSECSL-SCOAYWHSSA-N 1 0 283.375 2.172 10 30 CEEERO C#CCC[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000070245474 641650889 /nfs/dbraw/zinc/65/08/89/641650889.db2.gz HHOBKVSGYIBMMA-UHFFFAOYSA-N 1 0 253.729 2.470 10 30 CEEERO C[C@]1(CNc2c(C#N)nnc3ccccc32)CCC[NH2+]C1 ZINC000129394029 651938191 /nfs/dbraw/zinc/93/81/91/651938191.db2.gz CAEJBHVUEICCMM-INIZCTEOSA-N 1 0 281.363 2.303 10 30 CEEERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000135302296 652964581 /nfs/dbraw/zinc/96/45/81/652964581.db2.gz IZLOWAPZIZFRQM-NEPJUHHUSA-N 1 0 267.373 2.183 10 30 CEEERO CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000135302343 652964593 /nfs/dbraw/zinc/96/45/93/652964593.db2.gz IZLOWAPZIZFRQM-RYUDHWBXSA-N 1 0 267.373 2.183 10 30 CEEERO C=C(Br)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000124327292 365649883 /nfs/dbraw/zinc/64/98/83/365649883.db2.gz PAFJBGQREHYWIO-NWDGAFQWSA-N 1 0 273.218 2.454 10 30 CEEERO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1ccccc1C ZINC000036099985 361828308 /nfs/dbraw/zinc/82/83/08/361828308.db2.gz WNUDZDQRPUQTKF-QGZVFWFLSA-N 1 0 275.392 2.218 10 30 CEEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccn1 ZINC000124604475 344315793 /nfs/dbraw/zinc/31/57/93/344315793.db2.gz LKOXVIRYCKWPPX-BBWFWOEESA-N 1 0 285.391 2.469 10 30 CEEERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC[C@@H]1[NH3+] ZINC000127872574 344332244 /nfs/dbraw/zinc/33/22/44/344332244.db2.gz MJEYUFNUOCPTNX-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO C#CC[C@H]([NH3+])c1cccc(I)c1 ZINC000168565324 344480577 /nfs/dbraw/zinc/48/05/77/344480577.db2.gz ZELAPOMVBTYVSO-JTQLQIEISA-N 1 0 271.101 2.314 10 30 CEEERO N#Cc1ccc(N2CCc3ccccc3[C@@H]2C[NH3+])nc1 ZINC000227725100 344556396 /nfs/dbraw/zinc/55/63/96/344556396.db2.gz HEHKAWBDSQOTSH-HNNXBMFYSA-N 1 0 264.332 2.016 10 30 CEEERO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000591427423 345251274 /nfs/dbraw/zinc/25/12/74/345251274.db2.gz DBNOUNAAXHZVOS-UHFFFAOYSA-N 1 0 262.313 2.266 10 30 CEEERO N#Cc1ccc(OCCCN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000096477898 232185637 /nfs/dbraw/zinc/18/56/37/232185637.db2.gz ZMOCWVQKYYGMBJ-MRXNPFEDSA-N 1 0 285.391 2.107 10 30 CEEERO N#Cc1cccc(NCCC2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000593233240 345456763 /nfs/dbraw/zinc/45/67/63/345456763.db2.gz MXDXIIWCDACDKI-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO CCc1nnc(NCC2([NH3+])CCCC2)c(C#N)c1CC ZINC000594694193 345673934 /nfs/dbraw/zinc/67/39/34/345673934.db2.gz DXCIMLCCHPNYRQ-UHFFFAOYSA-N 1 0 273.384 2.156 10 30 CEEERO N#Cc1c(NC(=O)[C@@H]2CCC[C@H]2[NH3+])sc2c1CCC2 ZINC000085371703 179041757 /nfs/dbraw/zinc/04/17/57/179041757.db2.gz FHBRMDXZBLBSNI-MWLCHTKSSA-N 1 0 275.377 2.174 10 30 CEEERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1C#N ZINC000599437538 346520190 /nfs/dbraw/zinc/52/01/90/346520190.db2.gz SFCYXRVIXTZKKY-BHYGNILZSA-N 1 0 270.376 2.460 10 30 CEEERO C=CC[C@H]1CC[N@@H+](Cc2ncccc2C(=O)OC)C1 ZINC000599528049 346532949 /nfs/dbraw/zinc/53/29/49/346532949.db2.gz ALAWNGPEDDDRGB-LBPRGKRZSA-N 1 0 260.337 2.266 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000600951745 346715567 /nfs/dbraw/zinc/71/55/67/346715567.db2.gz MTSYTEYKPICCTH-NWDGAFQWSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CC[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C[NH2+]1 ZINC000600955236 346716568 /nfs/dbraw/zinc/71/65/68/346716568.db2.gz KWSJKVKYIHOKDJ-GXSJLCMTSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1cccc(N2CCCCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000600958202 346718064 /nfs/dbraw/zinc/71/80/64/346718064.db2.gz BTLCRVQMRNRQGH-GFCCVEGCSA-N 1 0 274.324 2.174 10 30 CEEERO N#Cc1ccc(N2CCCCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000600958795 346718117 /nfs/dbraw/zinc/71/81/17/346718117.db2.gz LEPANZWSDNCYJB-LBPRGKRZSA-N 1 0 274.324 2.174 10 30 CEEERO C[N@@H+]1CCCC[C@@H]1CNc1c(C#N)nnc2ccccc21 ZINC000085920330 179199855 /nfs/dbraw/zinc/19/98/55/179199855.db2.gz ITSBUXHBZNMRFR-GFCCVEGCSA-N 1 0 281.363 2.398 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000085986607 179211969 /nfs/dbraw/zinc/21/19/69/179211969.db2.gz VGTRHWOAVFOVOV-UKRRQHHQSA-N 1 0 262.328 2.338 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)c1cc[nH+]c(NN)c1 ZINC000086113038 179234410 /nfs/dbraw/zinc/23/44/10/179234410.db2.gz VXJDATCPTJGQQV-UHFFFAOYSA-N 1 0 287.710 2.145 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1cc(Br)cs1 ZINC000086473569 179300483 /nfs/dbraw/zinc/30/04/83/179300483.db2.gz TVINHWQYWZRCIW-MRVPVSSYSA-N 1 0 286.198 2.368 10 30 CEEERO CC[C@@H](C[NH3+])C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000087515597 179438126 /nfs/dbraw/zinc/43/81/26/179438126.db2.gz ZXLXTPCQHGCSHA-QMMMGPOBSA-N 1 0 251.717 2.135 10 30 CEEERO CCN(CCC#N)C(=O)CC1([NH2+]C)CCCCC1 ZINC000087577282 179449396 /nfs/dbraw/zinc/44/93/96/179449396.db2.gz PLWNXHLGMRVSCH-UHFFFAOYSA-N 1 0 251.374 2.061 10 30 CEEERO COc1ccc([C@H]2[C@H]([NH3+])CCCCN2C)cc1C#N ZINC000087823434 179493983 /nfs/dbraw/zinc/49/39/83/179493983.db2.gz OIPNUBSBVGJWQD-HIFRSBDPSA-N 1 0 259.353 2.051 10 30 CEEERO N#Cc1cccc([C@@H]2c3ccccc3CCN2CC[NH3+])c1 ZINC000616678960 348558110 /nfs/dbraw/zinc/55/81/10/348558110.db2.gz QGJSIFMQGKFQLZ-GOSISDBHSA-N 1 0 277.371 2.464 10 30 CEEERO CCCCCCCC[NH2+]CC(C)(C)NS(C)(=O)=O ZINC000104408525 185990492 /nfs/dbraw/zinc/99/04/92/185990492.db2.gz PEDBXQCIJAJDJB-UHFFFAOYSA-N 1 0 278.462 2.264 10 30 CEEERO CC(C)C[C@@](C)(O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000090267281 179943184 /nfs/dbraw/zinc/94/31/84/179943184.db2.gz KYGBGNBYSMHPPB-MRXNPFEDSA-N 1 0 276.380 2.476 10 30 CEEERO C=CCCC(=O)N1CCCSC[C@H]1C[NH+]1CCCC1 ZINC000090700491 180027745 /nfs/dbraw/zinc/02/77/45/180027745.db2.gz LRNYPEVXAZSXSC-CQSZACIVSA-N 1 0 282.453 2.383 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091134798 180104151 /nfs/dbraw/zinc/10/41/51/180104151.db2.gz DKMRNBHVWNPLQW-NSHDSACASA-N 1 0 295.795 2.245 10 30 CEEERO CCN(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360180 180141097 /nfs/dbraw/zinc/14/10/97/180141097.db2.gz JFDMSADQQQJNLR-RDBSUJKOSA-N 1 0 263.385 2.059 10 30 CEEERO C[NH2+]CC1CC(Oc2cc(C#N)c3ccccc3n2)C1 ZINC000091477811 180165904 /nfs/dbraw/zinc/16/59/04/180165904.db2.gz PLVJECJLNJWJGT-UHFFFAOYSA-N 1 0 267.332 2.483 10 30 CEEERO N#Cc1ccc(-c2csc([C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000091502128 180175120 /nfs/dbraw/zinc/17/51/20/180175120.db2.gz QVYJMLJGZIHHII-ZDUSSCGKSA-N 1 0 271.345 2.343 10 30 CEEERO C[NH+](C)[C@@H]1CCCN(Cc2sccc2C#CCCO)C1 ZINC000091392685 180144960 /nfs/dbraw/zinc/14/49/60/180144960.db2.gz DXSOYKMBCQOHCM-OAHLLOKOSA-N 1 0 292.448 2.008 10 30 CEEERO C=C[C@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646331 180215211 /nfs/dbraw/zinc/21/52/11/180215211.db2.gz PPTLGGBLONWJHD-AWEZNQCLSA-N 1 0 252.402 2.186 10 30 CEEERO CC(C)[C@@H]([NH3+])c1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091825652 180265056 /nfs/dbraw/zinc/26/50/56/180265056.db2.gz WOPGHKDSUKQUMV-OAHLLOKOSA-N 1 0 254.337 2.459 10 30 CEEERO CCN(CC)C(=O)Nc1ccc(F)cc1C#CC[NH3+] ZINC000091962368 180293022 /nfs/dbraw/zinc/29/30/22/180293022.db2.gz QZKOMCXWCIZHBA-UHFFFAOYSA-N 1 0 263.316 2.010 10 30 CEEERO CCN(CC)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000091962021 180293182 /nfs/dbraw/zinc/29/31/82/180293182.db2.gz NSCPFEOCBUVBMZ-UHFFFAOYSA-N 1 0 278.381 2.139 10 30 CEEERO C[C@@](O)([C@@H]1CCC[NH2+]C1)C1(C#N)Cc2ccccc2C1 ZINC000091879172 180279417 /nfs/dbraw/zinc/27/94/17/180279417.db2.gz ILORYMVUSLTMLD-HZPDHXFCSA-N 1 0 270.376 2.046 10 30 CEEERO C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2C#CC[NH3+])C1 ZINC000091992466 180300365 /nfs/dbraw/zinc/30/03/65/180300365.db2.gz ZHBKXWUYIZXOIA-LBPRGKRZSA-N 1 0 289.354 2.400 10 30 CEEERO C[C@@H]1CCCN(C(=O)Nc2ccccc2C#CC[NH3+])C1 ZINC000091992395 180300535 /nfs/dbraw/zinc/30/05/35/180300535.db2.gz HWHFMHNSPLAKBB-CYBMUJFWSA-N 1 0 271.364 2.261 10 30 CEEERO Cc1ccc(OCc2ccnc(C#N)c2)c(C[C@@H](C)[NH3+])n1 ZINC000092000240 180303940 /nfs/dbraw/zinc/30/39/40/180303940.db2.gz LZPXYULOMZXVOJ-LLVKDONJSA-N 1 0 282.347 2.125 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000092137377 180333396 /nfs/dbraw/zinc/33/33/96/180333396.db2.gz MWAXDUWHUACAPF-MRVPVSSYSA-N 1 0 285.269 2.371 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)ccc1Cl ZINC000092202817 180343464 /nfs/dbraw/zinc/34/34/64/180343464.db2.gz JULLTWKYMCCQQW-WPRPVWTQSA-N 1 0 261.712 2.054 10 30 CEEERO C[C@@H](C#N)N1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092260813 180354134 /nfs/dbraw/zinc/35/41/34/180354134.db2.gz GKWFPHDOXDLPEC-ZFWWWQNUSA-N 1 0 287.432 2.233 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1CSc1cnccn1 ZINC000110914161 186332189 /nfs/dbraw/zinc/33/21/89/186332189.db2.gz BEXPNBPXGQRMLJ-UHFFFAOYSA-N 1 0 273.336 2.218 10 30 CEEERO [NH3+]CC#Cc1cc(CSc2cnccn2)ccc1F ZINC000110914165 186332938 /nfs/dbraw/zinc/33/29/38/186332938.db2.gz NBKADWZPLXVZSC-UHFFFAOYSA-N 1 0 273.336 2.218 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@@H](C)[NH2+]CC ZINC000110960460 186336683 /nfs/dbraw/zinc/33/66/83/186336683.db2.gz GYBBTSZLXKVBPJ-KGLIPLIRSA-N 1 0 288.391 2.182 10 30 CEEERO CC[C@H]1C[N@H+](CCCC[C@@](C)(C#N)NC(C)C)CCN1C ZINC000110737339 186319434 /nfs/dbraw/zinc/31/94/34/186319434.db2.gz YWNDRLUVFGEYML-IRXDYDNUSA-N 1 0 294.487 2.463 10 30 CEEERO [NH3+]CC#Cc1ccccc1CSc1ccncn1 ZINC000111114967 186353706 /nfs/dbraw/zinc/35/37/06/186353706.db2.gz BKEDNDJZSADTID-UHFFFAOYSA-N 1 0 255.346 2.079 10 30 CEEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000111265326 186381487 /nfs/dbraw/zinc/38/14/87/186381487.db2.gz LDFUXXRWDQSCOW-SCZZXKLOSA-N 1 0 297.280 2.371 10 30 CEEERO C[C@@H](C#N)C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130987573 366011303 /nfs/dbraw/zinc/01/13/03/366011303.db2.gz YLNHEIGGISEFMH-QWHCGFSZSA-N 1 0 281.400 2.383 10 30 CEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOCC(F)(F)F ZINC000111638622 186435742 /nfs/dbraw/zinc/43/57/42/186435742.db2.gz AZAAUVCTAROVKG-UWVGGRQHSA-N 1 0 250.264 2.237 10 30 CEEERO C=CC1CCN(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000111836740 186461687 /nfs/dbraw/zinc/46/16/87/186461687.db2.gz HCJQYYXBLRHXOC-CQSZACIVSA-N 1 0 265.401 2.078 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000070171235 363045134 /nfs/dbraw/zinc/04/51/34/363045134.db2.gz IQRNUHBPYBCMQX-ZDUSSCGKSA-N 1 0 258.369 2.135 10 30 CEEERO CC[NH2+]CC1CCN(c2nc(C)ccc2C#N)CC1 ZINC000131591951 366068653 /nfs/dbraw/zinc/06/86/53/366068653.db2.gz GKGUDXNLBDRSQU-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO Cc1cc(C)c2c(c1)ncc(C#N)c2N1CC[NH2+]CC1 ZINC000072237049 363122108 /nfs/dbraw/zinc/12/21/08/363122108.db2.gz SSLNBVCPMKLATM-UHFFFAOYSA-N 1 0 266.348 2.133 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000155753590 188225244 /nfs/dbraw/zinc/22/52/44/188225244.db2.gz DYJRVOUFOWYELT-WFASDCNBSA-N 1 0 271.364 2.017 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000228553598 283108295 /nfs/dbraw/zinc/10/82/95/283108295.db2.gz DLWTWOATWVARCE-ZLKJLUDKSA-N 1 0 286.335 2.030 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000130984268 283171659 /nfs/dbraw/zinc/17/16/59/283171659.db2.gz RZVDATHBUOZTDZ-SCRDCRAPSA-N 1 0 259.328 2.261 10 30 CEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncncc1C#N ZINC000309886594 540344540 /nfs/dbraw/zinc/34/45/40/540344540.db2.gz LIMXRNVGSULUGD-ZDUSSCGKSA-N 1 0 281.363 2.281 10 30 CEEERO CC[NH+](CC)CC[C@@H](OS(=O)(=O)CC)C(F)(F)F ZINC000002557794 361240806 /nfs/dbraw/zinc/24/08/06/361240806.db2.gz KTGOZEWSVFERIG-SECBINFHSA-N 1 0 291.335 2.016 10 30 CEEERO N#Cc1ccc(N[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000086727348 363838424 /nfs/dbraw/zinc/83/84/24/363838424.db2.gz CTRWMUQKMIGCAV-SECBINFHSA-N 1 0 266.142 2.095 10 30 CEEERO C[NH2+]CC1CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000094337398 364266456 /nfs/dbraw/zinc/26/64/56/364266456.db2.gz YXPGJRUFCABAKR-UHFFFAOYSA-N 1 0 298.312 2.408 10 30 CEEERO C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000094592177 364281296 /nfs/dbraw/zinc/28/12/96/364281296.db2.gz RRRNBCCMQQTVOJ-CMPLNLGQSA-N 1 0 274.324 2.266 10 30 CEEERO C[NH+](C)C[C@H](NC(=O)NCCCCC#N)c1ccccc1 ZINC000171416941 367537901 /nfs/dbraw/zinc/53/79/01/367537901.db2.gz UMCCXVZJZMOEPH-HNNXBMFYSA-N 1 0 288.395 2.282 10 30 CEEERO CN(CCC#N)c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245803258 370875281 /nfs/dbraw/zinc/87/52/81/370875281.db2.gz YDNDTOHDAAXGKQ-SFHVURJKSA-N 1 0 298.434 2.316 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(CC#N)cc1 ZINC000246319149 370946820 /nfs/dbraw/zinc/94/68/20/370946820.db2.gz AKNRQJRWEGPNLO-BBRMVZONSA-N 1 0 298.390 2.453 10 30 CEEERO C[NH2+]C[C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000214365050 370172092 /nfs/dbraw/zinc/17/20/92/370172092.db2.gz LOAQCSDADMKVMH-LLVKDONJSA-N 1 0 294.196 2.366 10 30 CEEERO Cc1cccc(NC[C@H]2CC[N@H+](CCCC#N)C2)n1 ZINC000195516186 370135305 /nfs/dbraw/zinc/13/53/05/370135305.db2.gz RPHVVUJCMUXBLR-CQSZACIVSA-N 1 0 258.369 2.428 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc(C#N)cc1 ZINC000247207393 371076594 /nfs/dbraw/zinc/07/65/94/371076594.db2.gz LVOOIOWLVPVPIN-HOCLYGCPSA-N 1 0 285.391 2.106 10 30 CEEERO CCC[NH2+]CCNc1nc(C)c(C#N)cc1Cl ZINC000261566569 371651595 /nfs/dbraw/zinc/65/15/95/371651595.db2.gz ZBWFXYLHZSXBDW-UHFFFAOYSA-N 1 0 252.749 2.327 10 30 CEEERO C[C@@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000261929800 371774360 /nfs/dbraw/zinc/77/43/60/371774360.db2.gz JNLUJVJHHLZEKQ-SECBINFHSA-N 1 0 269.270 2.375 10 30 CEEERO C=CCOc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1OC ZINC000262013766 371799215 /nfs/dbraw/zinc/79/92/15/371799215.db2.gz MNYLAGNHXARMMC-OCCSQVGLSA-N 1 0 276.380 2.039 10 30 CEEERO CC[N@@H+]1CC[C@H](Nc2nc(C)c(C#N)cc2Cl)C1 ZINC000389192053 375297558 /nfs/dbraw/zinc/29/75/58/375297558.db2.gz VOKVMFTVYVMDBA-NSHDSACASA-N 1 0 264.760 2.421 10 30 CEEERO CC(C)[C@@H]([NH3+])CNc1ncc(Br)cc1C#N ZINC000309299403 376590513 /nfs/dbraw/zinc/59/05/13/376590513.db2.gz LORTVSXVMLUOLN-JTQLQIEISA-N 1 0 283.173 2.111 10 30 CEEERO Cc1nc(N2CC[C@@H]([NH+](C)C)C2)c(Cl)cc1C#N ZINC000292560763 377253343 /nfs/dbraw/zinc/25/33/43/377253343.db2.gz JQIGPWUYZMAYHV-LLVKDONJSA-N 1 0 264.760 2.055 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C#N)c1F ZINC000300239718 379157387 /nfs/dbraw/zinc/15/73/87/379157387.db2.gz DNPADSNCUDKDJS-DOMZBBRYSA-N 1 0 273.355 2.366 10 30 CEEERO Cc1cc(C#N)cc(NC(=O)N2CC[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000334876358 207228649 /nfs/dbraw/zinc/22/86/49/207228649.db2.gz WBWPOZDPCIFFGJ-CQSZACIVSA-N 1 0 286.379 2.458 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCO[C@H](C#N)C1 ZINC000093931913 184744875 /nfs/dbraw/zinc/74/48/75/184744875.db2.gz KXTABSMAQXSTHF-MBNYWOFBSA-N 1 0 279.409 2.059 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000094752481 184853307 /nfs/dbraw/zinc/85/33/07/184853307.db2.gz MNOIUPHITZFTNE-LSDHHAIUSA-N 1 0 287.363 2.435 10 30 CEEERO CC(C)C[C@H](C[NH3+])C(=O)N(CCC#N)Cc1ccco1 ZINC000094698932 184842301 /nfs/dbraw/zinc/84/23/01/184842301.db2.gz KSLJQJOSIBBENE-CYBMUJFWSA-N 1 0 277.368 2.143 10 30 CEEERO N#Cc1nccn1[C@H](C[NH3+])c1cccc(Br)c1 ZINC000094936641 184896222 /nfs/dbraw/zinc/89/62/22/184896222.db2.gz GBEVKEDTCSHYQI-LLVKDONJSA-N 1 0 291.152 2.065 10 30 CEEERO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000222966254 130791668 /nfs/dbraw/zinc/79/16/68/130791668.db2.gz WQKVDQBYVASYEP-ABAIWWIYSA-N 1 0 261.344 2.079 10 30 CEEERO CC1(C)C[NH2+]CCN1c1cc(C#N)c2ccccc2n1 ZINC000088147091 135053064 /nfs/dbraw/zinc/05/30/64/135053064.db2.gz JAJUOHRSODIHFT-UHFFFAOYSA-N 1 0 266.348 2.295 10 30 CEEERO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]([NH3+])CCC ZINC000236794342 394487640 /nfs/dbraw/zinc/48/76/40/394487640.db2.gz BDMIEOFQVDWALK-AWEZNQCLSA-N 1 0 291.351 2.237 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000048769487 394528289 /nfs/dbraw/zinc/52/82/89/394528289.db2.gz JIBKJAFTVNGVIW-AWEZNQCLSA-N 1 0 272.352 2.164 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000132461963 394930330 /nfs/dbraw/zinc/93/03/30/394930330.db2.gz VZDVJVSOIOOQPY-RYUDHWBXSA-N 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ZINC000043342978 175015800 /nfs/dbraw/zinc/01/58/00/175015800.db2.gz UPAHQUYKHHOWQP-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355752 175023624 /nfs/dbraw/zinc/02/36/24/175023624.db2.gz UHCGYIADQRJHGK-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO CC(C)C[N@H+](CCN(C)C)Cc1cc(C#CCO)cs1 ZINC000043698786 175096927 /nfs/dbraw/zinc/09/69/27/175096927.db2.gz CWOKKWXYMCSASZ-UHFFFAOYSA-N 1 0 294.464 2.112 10 30 CEEERO CN(C(=O)C1(C#N)CCCCCC1)C1CC[NH+](C)CC1 ZINC000044764921 175248645 /nfs/dbraw/zinc/24/86/45/175248645.db2.gz VFQCBWDTPSYRNA-UHFFFAOYSA-N 1 0 277.412 2.403 10 30 CEEERO CCC(C#N)(CC)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000044767256 175250017 /nfs/dbraw/zinc/25/00/17/175250017.db2.gz DOMLKTPOEBCVHF-UHFFFAOYSA-N 1 0 267.417 2.363 10 30 CEEERO CC(C)CN(CC[NH+](C)C)CC[C@@](C)(C#N)NC(C)C ZINC000045181793 175325010 /nfs/dbraw/zinc/32/50/10/175325010.db2.gz UWFIXWBBNMULKN-INIZCTEOSA-N 1 0 282.476 2.176 10 30 CEEERO CCC(CC)[N@H+](CCOC)CC[C@](C)(C#N)NC ZINC000045183097 175325861 /nfs/dbraw/zinc/32/58/61/175325861.db2.gz ANICBPIOXJSTJE-CQSZACIVSA-N 1 0 255.406 2.015 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCC[N@@H+]1CCCN(C)CC1 ZINC000045308410 175356337 /nfs/dbraw/zinc/35/63/37/175356337.db2.gz APYQGPXFWCRTOW-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO COCC[N@H+](CCCC[C@](C)(N)C#N)CC(C)C ZINC000045315004 175357462 /nfs/dbraw/zinc/35/74/62/175357462.db2.gz UQZNVAQIHGAJJX-AWEZNQCLSA-N 1 0 255.406 2.002 10 30 CEEERO COCC[N@H+](CCCC[C@](C)(N)C#N)[C@@H](C)C1CC1 ZINC000045317434 175358369 /nfs/dbraw/zinc/35/83/69/175358369.db2.gz KIYDDAOCZQBEEO-ZFWWWQNUSA-N 1 0 267.417 2.145 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070575405 175991013 /nfs/dbraw/zinc/99/10/13/175991013.db2.gz NPALBTSJPWMWIC-NEPJUHHUSA-N 1 0 275.327 2.462 10 30 CEEERO C=CCN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCC1 ZINC000070576549 175991949 /nfs/dbraw/zinc/99/19/49/175991949.db2.gz LIINPFMFAWVLAR-CHWSQXEVSA-N 1 0 250.386 2.461 10 30 CEEERO C=CCCOc1c(OC)cc(CC[NH3+])cc1OC ZINC000071277769 176107745 /nfs/dbraw/zinc/10/77/45/176107745.db2.gz YSRCCQGUDYINJD-UHFFFAOYSA-N 1 0 251.326 2.160 10 30 CEEERO N#Cc1cc2ccccc2nc1NC1CC[NH2+]CC1 ZINC000071386020 176147617 /nfs/dbraw/zinc/14/76/17/176147617.db2.gz QUGXAWAXLYZFJK-UHFFFAOYSA-N 1 0 252.321 2.270 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000662630789 415913178 /nfs/dbraw/zinc/91/31/78/415913178.db2.gz MZSFRXYLCCHWAO-MJBXVCDLSA-N 1 0 250.386 2.189 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)CC#Cc1ccccc1 ZINC000192053118 264553476 /nfs/dbraw/zinc/55/34/76/264553476.db2.gz FWKVMCUYNUTGTK-KRWDZBQOSA-N 1 0 256.393 2.454 10 30 CEEERO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398989759 270365301 /nfs/dbraw/zinc/36/53/01/270365301.db2.gz HAIKQEVUXTTWHB-DUVNUKRYSA-N 1 0 274.339 2.290 10 30 CEEERO C[NH2+]C[C@H]1CCCN1c1nc(C)c(C#N)cc1Cl ZINC000261569250 273968062 /nfs/dbraw/zinc/96/80/62/273968062.db2.gz JSTGHSJLNPCDOD-LLVKDONJSA-N 1 0 264.760 2.103 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000132471953 274239549 /nfs/dbraw/zinc/23/95/49/274239549.db2.gz XXGUJACTRLAPII-PSASIEDQSA-N 1 0 284.285 2.146 10 30 CEEERO C[C@@H](Nc1nc2c(cc1C#N)CCC2)[C@H]1CCC[NH2+]C1 ZINC000050164290 274264979 /nfs/dbraw/zinc/26/49/79/274264979.db2.gz PPMNEZJGNMHXFR-YPMHNXCESA-N 1 0 270.380 2.242 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000216209554 274385455 /nfs/dbraw/zinc/38/54/55/274385455.db2.gz KYVCNHRPUWIBTD-NEPJUHHUSA-N 1 0 266.348 2.280 10 30 CEEERO N#Cc1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1Cl ZINC000261578807 274925075 /nfs/dbraw/zinc/92/50/75/274925075.db2.gz PDBWECMNIJLRDW-BXUZGUMPSA-N 1 0 261.756 2.400 10 30 CEEERO CCC[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000135133055 278917884 /nfs/dbraw/zinc/91/78/84/278917884.db2.gz DLWBPSHYFGYREK-OAHLLOKOSA-N 1 0 273.380 2.247 10 30 CEEERO Cc1nc(C[C@H]2CCC[N@H+](CCCSCC#N)C2)no1 ZINC000173881968 329153426 /nfs/dbraw/zinc/15/34/26/329153426.db2.gz LYPYYAZXTLFWPR-CYBMUJFWSA-N 1 0 294.424 2.279 10 30 CEEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382465274 321840403 /nfs/dbraw/zinc/84/04/03/321840403.db2.gz LKSZAVWURSCTEZ-ONGXEEELSA-N 1 0 260.297 2.006 10 30 CEEERO N#Cc1cc(Cl)ccc1NC[C@H]1C[NH2+]CCCO1 ZINC000390059870 321892929 /nfs/dbraw/zinc/89/29/29/321892929.db2.gz JKEKWJZQLFOPHL-GFCCVEGCSA-N 1 0 265.744 2.002 10 30 CEEERO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185372968 329271380 /nfs/dbraw/zinc/27/13/80/329271380.db2.gz XJTXTRPIXKPOPK-ZIAGYGMSSA-N 1 0 250.386 2.285 10 30 CEEERO CC[C@@H](C)NC(=[NH2+])NCC1(C)CCC(OC)CC1 ZINC000262418188 330009020 /nfs/dbraw/zinc/00/90/20/330009020.db2.gz UNKJVHJCWBWGHV-LKSINWNRSA-N 1 0 255.406 2.285 10 30 CEEERO C[NH+]=C(NCc1cccn1C)N[C@H]1CCc2ccccc2C1 ZINC000262444284 330013521 /nfs/dbraw/zinc/01/35/21/330013521.db2.gz OQTLDSYECKWLIL-INIZCTEOSA-N 1 0 296.418 2.248 10 30 CEEERO C[C@@H]1C[NH+]=C(N[C@H]2C[C@@H]2c2c(F)cccc2Cl)N1 ZINC000262675897 330026025 /nfs/dbraw/zinc/02/60/25/330026025.db2.gz TYOJPUFKDDLRST-FYBVGQRMSA-N 1 0 267.735 2.272 10 30 CEEERO CN1CCC[NH+]=C1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000263153235 330046099 /nfs/dbraw/zinc/04/60/99/330046099.db2.gz PSEZLRYDTCZKDO-UHFFFAOYSA-N 1 0 282.731 2.029 10 30 CEEERO CC1(C)CC[C@H]1NC(=[NH2+])NCCc1cccs1 ZINC000263176640 330047414 /nfs/dbraw/zinc/04/74/14/330047414.db2.gz TYBZNEXSJNJKEH-LLVKDONJSA-N 1 0 251.399 2.384 10 30 CEEERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@H](C#N)CC)c1 ZINC000050516908 520002311 /nfs/dbraw/zinc/00/23/11/520002311.db2.gz FEGAQBYPFHFVIE-NSHDSACASA-N 1 0 263.297 2.385 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000068613293 520102159 /nfs/dbraw/zinc/10/21/59/520102159.db2.gz QWVXOKSVWKAHNY-JYJNAYRXSA-N 1 0 299.459 2.030 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615894 520102374 /nfs/dbraw/zinc/10/23/74/520102374.db2.gz LYRXMJWXGBHXTJ-IKGGRYGDSA-N 1 0 294.487 2.463 10 30 CEEERO CC[C@@H](C)C[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049617885 521972486 /nfs/dbraw/zinc/97/24/86/521972486.db2.gz NOQSQESSWSLJEZ-OAHLLOKOSA-N 1 0 275.392 2.387 10 30 CEEERO C=CCNC(=O)COc1cccc2c1CC[C@@H]2[NH2+]CCC ZINC000062799989 518896752 /nfs/dbraw/zinc/89/67/52/518896752.db2.gz ZUIVFDRKXZGZNA-HNNXBMFYSA-N 1 0 288.391 2.355 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081118 520031461 /nfs/dbraw/zinc/03/14/61/520031461.db2.gz DKZAULSSSYKTTI-QGZVFWFLSA-N 1 0 294.487 2.322 10 30 CEEERO CC[NH2+][C@@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061273874 520071169 /nfs/dbraw/zinc/07/11/69/520071169.db2.gz VRQWXMJAZIILOP-VIFPVBQESA-N 1 0 277.393 2.435 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613187 520225307 /nfs/dbraw/zinc/22/53/07/520225307.db2.gz ARHCMDJGXNXRQV-ZBFHGGJFSA-N 1 0 280.460 2.073 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000160666221 521048991 /nfs/dbraw/zinc/04/89/91/521048991.db2.gz YONPLZLPLORUMM-NSHDSACASA-N 1 0 269.352 2.431 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1ccc(C#CC[NH3+])cc1F ZINC000069461759 521296882 /nfs/dbraw/zinc/29/68/82/521296882.db2.gz ZXCXNPUOSLNEPT-UHFFFAOYSA-N 1 0 276.355 2.397 10 30 CEEERO COCCSCc1ccc(F)cc1C#CC[NH3+] ZINC000049611513 521778743 /nfs/dbraw/zinc/77/87/43/521778743.db2.gz LHCVNOVOANPNSW-UHFFFAOYSA-N 1 0 253.342 2.016 10 30 CEEERO C[NH+](C)C[C@@H]1CCCN1Cc1sccc1C#CCCO ZINC000061652336 521841445 /nfs/dbraw/zinc/84/14/45/521841445.db2.gz DCURXESDTMTOFQ-HNNXBMFYSA-N 1 0 292.448 2.008 10 30 CEEERO CC[C@H](C)[C@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049105812 521933322 /nfs/dbraw/zinc/93/33/22/521933322.db2.gz OURHGXIECODPOQ-RYUDHWBXSA-N 1 0 276.355 2.300 10 30 CEEERO COc1cc(C[NH2+]CC(C)C)cc(OC)c1OCC#N ZINC000062732841 522445032 /nfs/dbraw/zinc/44/50/32/522445032.db2.gz HJSHONIRCLOHKN-UHFFFAOYSA-N 1 0 278.352 2.352 10 30 CEEERO COCC1CC[NH+]([C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068616647 522936307 /nfs/dbraw/zinc/93/63/07/522936307.db2.gz XTUZPOWSEDCTSM-HOCLYGCPSA-N 1 0 281.444 2.404 10 30 CEEERO C[N@H+](CCc1ccccn1)Cc1ccccc1C#CCO ZINC000049617043 522966501 /nfs/dbraw/zinc/96/65/01/522966501.db2.gz ONIIQOLBANNIPE-UHFFFAOYSA-N 1 0 280.371 2.100 10 30 CEEERO C[N@H+](Cc1ccc(F)c(C#CCCO)c1)[C@@H]1CCSC1 ZINC000049617852 523240199 /nfs/dbraw/zinc/24/01/99/523240199.db2.gz UXXSTHSBDXPWEA-OAHLLOKOSA-N 1 0 293.407 2.497 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000049616057 523516423 /nfs/dbraw/zinc/51/64/23/523516423.db2.gz WSZDTAZOIGLSLX-AWEZNQCLSA-N 1 0 273.376 2.271 10 30 CEEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C#CCCO ZINC000049614658 523516357 /nfs/dbraw/zinc/51/63/57/523516357.db2.gz BVYMEQXENTWXCA-CRAIPNDOSA-N 1 0 287.403 2.420 10 30 CEEERO CC[C@H](C#N)Oc1cc(C[NH2+]CCOC)ccc1[N+](=O)[O-] ZINC000062733400 523751057 /nfs/dbraw/zinc/75/10/57/523751057.db2.gz BDDGLWFKUPNHRQ-GFCCVEGCSA-N 1 0 293.323 2.012 10 30 CEEERO CC[C@H](C)C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586617 523822273 /nfs/dbraw/zinc/82/22/73/523822273.db2.gz RRTXULZFAVOSRR-ZDUSSCGKSA-N 1 0 258.365 2.001 10 30 CEEERO CC[C@H](C)[NH+]1CCN(Cc2cc(C#CCO)cs2)CC1 ZINC000055069323 523955118 /nfs/dbraw/zinc/95/51/18/523955118.db2.gz XMAPICSZMQLYFH-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO CC[C@H](C)[NH+]1CCN(C[C@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069082465 523955255 /nfs/dbraw/zinc/95/52/55/523955255.db2.gz UGMIPXHNQFDNOG-RDJZCZTQSA-N 1 0 292.471 2.073 10 30 CEEERO Cc1ccc(F)c(C(=O)Nc2cccc(C#CC[NH3+])n2)c1 ZINC000052998787 524800630 /nfs/dbraw/zinc/80/06/30/524800630.db2.gz HPQJGYOXZYEEJS-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[C@@H](C[C@@](C)(C#N)NC1CC1)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068613845 524850651 /nfs/dbraw/zinc/85/06/51/524850651.db2.gz IHGHFCIIAAGGSE-ZENOOKHLSA-N 1 0 279.428 2.299 10 30 CEEERO Cc1ccc(C(=O)N(C)Cc2ccccc2C#CC[NH3+])o1 ZINC000049586814 526063537 /nfs/dbraw/zinc/06/35/37/526063537.db2.gz CNJFMGGHSGLNQD-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO C[C@H](c1cccc(C#CC[NH3+])c1)N1CCCCC1=O ZINC000049587789 526071975 /nfs/dbraw/zinc/07/19/75/526071975.db2.gz DGFVXSZSWCUTLW-CYBMUJFWSA-N 1 0 256.349 2.070 10 30 CEEERO Cc1nnc(SCc2ccc(C#CC[NH3+])s2)o1 ZINC000051038612 526386451 /nfs/dbraw/zinc/38/64/51/526386451.db2.gz SCNUBAUBQBWAOD-UHFFFAOYSA-N 1 0 265.363 2.042 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050942832 526522675 /nfs/dbraw/zinc/52/26/75/526522675.db2.gz OQYBCLODNNKDGR-UHFFFAOYSA-N 1 0 275.327 2.416 10 30 CEEERO N#Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000061610838 526721707 /nfs/dbraw/zinc/72/17/07/526721707.db2.gz DDRYLUMZFUZRMJ-OAHLLOKOSA-N 1 0 265.316 2.239 10 30 CEEERO N#Cc1cccnc1NCc1ccc(CC[NH3+])cc1 ZINC000052899412 526754784 /nfs/dbraw/zinc/75/47/84/526754784.db2.gz GEHVKDPQYDPWAZ-UHFFFAOYSA-N 1 0 252.321 2.067 10 30 CEEERO [NH3+]CC#Cc1csc(Cn2ncc3ccccc32)c1 ZINC000050527400 527156340 /nfs/dbraw/zinc/15/63/40/527156340.db2.gz NHASUBUEXNZVNT-UHFFFAOYSA-N 1 0 267.357 2.456 10 30 CEEERO OCCC#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000049616767 527530319 /nfs/dbraw/zinc/53/03/19/527530319.db2.gz PCVFVYXZZUERIH-GOSISDBHSA-N 1 0 287.403 2.157 10 30 CEEERO OCCC#Cc1cc(F)ccc1C[N@@H+]1CCCSCC1 ZINC000049615047 527530619 /nfs/dbraw/zinc/53/06/19/527530619.db2.gz GWCLWTWTWWNZLV-UHFFFAOYSA-N 1 0 293.407 2.499 10 30 CEEERO OCCC#Cc1ccccc1C[N@@H+]1CCCSCC1 ZINC000049615016 527531914 /nfs/dbraw/zinc/53/19/14/527531914.db2.gz YGRMTOIPIAYXCF-UHFFFAOYSA-N 1 0 275.417 2.359 10 30 CEEERO N#Cc1cc(Br)cnc1NC[C@@H]1CCC[NH2+]C1 ZINC000261552712 623330996 /nfs/dbraw/zinc/33/09/96/623330996.db2.gz NHJFZHHHBWADEY-SECBINFHSA-N 1 0 295.184 2.127 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1[NH3+] ZINC000235692056 625710658 /nfs/dbraw/zinc/71/06/58/625710658.db2.gz XZWGKZCSEYGLLZ-UFBFGSQYSA-N 1 0 269.270 2.360 10 30 CEEERO C#Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000048770444 624417112 /nfs/dbraw/zinc/41/71/12/624417112.db2.gz LBMWEQIICNSAGX-HNNXBMFYSA-N 1 0 271.364 2.274 10 30 CEEERO N#Cc1sc(NC2CCC([NH3+])CC2)nc1Cl ZINC000236208751 625909663 /nfs/dbraw/zinc/90/96/63/625909663.db2.gz QNLGXNAHMZSKNC-UHFFFAOYSA-N 1 0 256.762 2.350 10 30 CEEERO C[C@@H]([NH3+])CN(C)c1ccc(C(F)(F)F)cc1C#N ZINC000310950392 627327404 /nfs/dbraw/zinc/32/74/04/627327404.db2.gz YXVZYXZAXCYMOY-MRVPVSSYSA-N 1 0 257.259 2.360 10 30 CEEERO C#C[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000123113445 648795852 /nfs/dbraw/zinc/79/58/52/648795852.db2.gz OIXACPIGYRHORQ-QWRGUYRKSA-N 1 0 263.337 2.385 10 30 CEEERO C#C[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000123114054 648795956 /nfs/dbraw/zinc/79/59/56/648795956.db2.gz OIXACPIGYRHORQ-GHMZBOCLSA-N 1 0 263.337 2.385 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000132445069 652521571 /nfs/dbraw/zinc/52/15/71/652521571.db2.gz NOBPYPVMCVYLAX-DGCLKSJQSA-N 1 0 266.348 2.280 10 30 CEEERO C=C(Br)CN1C[C@@H](CC)[NH2+]C[C@@H]1CC ZINC000083117807 178338074 /nfs/dbraw/zinc/33/80/74/178338074.db2.gz MRKAEOUBOJONNT-MNOVXSKESA-N 1 0 261.207 2.357 10 30 CEEERO C[C@H]([NH3+])C#Cc1c[nH]c2cncc(Br)c12 ZINC000725245755 539191594 /nfs/dbraw/zinc/19/15/94/539191594.db2.gz LVCXVBFZUBFDSY-ZETCQYMHSA-N 1 0 264.126 2.024 10 30 CEEERO C#CC[N@@H+](CCC)[C@@H]1COc2ccc(OC)cc2C1 ZINC000038777850 343434874 /nfs/dbraw/zinc/43/48/74/343434874.db2.gz MQBLRNGQQYSICL-AWEZNQCLSA-N 1 0 259.349 2.344 10 30 CEEERO Cc1cc(C#N)cc(N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000161808948 344465101 /nfs/dbraw/zinc/46/51/01/344465101.db2.gz KKFQJPSGBRQQEJ-MRXNPFEDSA-N 1 0 278.359 2.324 10 30 CEEERO C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000050163695 362407267 /nfs/dbraw/zinc/40/72/67/362407267.db2.gz OLJLGIJGKHWELZ-QWRGUYRKSA-N 1 0 274.324 2.266 10 30 CEEERO N#Cc1cc(N2CCc3ccccc3[C@H]2C[NH3+])ccn1 ZINC000227725382 344556352 /nfs/dbraw/zinc/55/63/52/344556352.db2.gz ZKWRVEOZHPJRJL-MRXNPFEDSA-N 1 0 264.332 2.016 10 30 CEEERO COC[C@H](C)[N@H+](C)Cc1ccc(F)cc1C#CCCO ZINC000049613854 522594261 /nfs/dbraw/zinc/59/42/61/522594261.db2.gz CQFLSWLWOPHJQT-ZDUSSCGKSA-N 1 0 279.355 2.026 10 30 CEEERO C[N@H+](CC1CC1)C[C@H]1CN(Cc2ccc(C#N)cc2)CCO1 ZINC000328645696 344757846 /nfs/dbraw/zinc/75/78/46/344757846.db2.gz SHYMMBDWEFHGKH-SFHVURJKSA-N 1 0 299.418 2.101 10 30 CEEERO Cc1nc(N2CCC(C)([NH3+])CC2)c(Cl)cc1C#N ZINC000591435811 345253764 /nfs/dbraw/zinc/25/37/64/345253764.db2.gz XXWOYJWZWJHOSY-UHFFFAOYSA-N 1 0 264.760 2.233 10 30 CEEERO C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)c1cccs1 ZINC000594426976 345626588 /nfs/dbraw/zinc/62/65/88/345626588.db2.gz UDZADFUZMBVFKW-MNOVXSKESA-N 1 0 265.382 2.337 10 30 CEEERO CC[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H](CC)C[NH2+]1 ZINC000086466435 136512382 /nfs/dbraw/zinc/51/23/82/136512382.db2.gz POQIZJZWMQPMNC-OLZOCXBDSA-N 1 0 288.351 2.433 10 30 CEEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000061892456 362696991 /nfs/dbraw/zinc/69/69/91/362696991.db2.gz DCEXZSUFMDOMPX-PWSUYJOCSA-N 1 0 275.318 2.295 10 30 CEEERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1C#N ZINC000599437541 346520606 /nfs/dbraw/zinc/52/06/06/346520606.db2.gz SFCYXRVIXTZKKY-XIRDDKMYSA-N 1 0 270.376 2.460 10 30 CEEERO C[C@H]1CC[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C[NH2+]1 ZINC000600955239 346716685 /nfs/dbraw/zinc/71/66/85/346716685.db2.gz KWSJKVKYIHOKDJ-ONGXEEELSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1cccc(NCC[C@H]([NH3+])Cc2ccccc2)n1 ZINC000600960525 346718423 /nfs/dbraw/zinc/71/84/23/346718423.db2.gz DQRSGHABNQSMRS-AWEZNQCLSA-N 1 0 266.348 2.325 10 30 CEEERO C[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@@H]1C[NH3+] ZINC000600961625 346719695 /nfs/dbraw/zinc/71/96/95/346719695.db2.gz QLILKLLZNRGVKQ-YPMHNXCESA-N 1 0 266.348 2.137 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000085920746 179200396 /nfs/dbraw/zinc/20/03/96/179200396.db2.gz AGCYEKCVSBSDHN-DGCLKSJQSA-N 1 0 267.336 2.183 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133689805 136714254 /nfs/dbraw/zinc/71/42/54/136714254.db2.gz GTEDHVCDDHUMSC-KOLCDFICSA-N 1 0 265.307 2.400 10 30 CEEERO C#CCN1C[C@@](C)(C2CC2)[NH2+]C[C@H]1c1ccccc1 ZINC000086222867 179250284 /nfs/dbraw/zinc/25/02/84/179250284.db2.gz NNWKQRJNIWFGKM-IRXDYDNUSA-N 1 0 254.377 2.435 10 30 CEEERO N#Cc1ccc([C@H]2c3ccccc3CCN2CC[NH3+])cc1 ZINC000616583260 348525978 /nfs/dbraw/zinc/52/59/78/348525978.db2.gz BKKOFAPUBXOSOV-SFHVURJKSA-N 1 0 277.371 2.464 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1F ZINC000404162555 233192610 /nfs/dbraw/zinc/19/26/10/233192610.db2.gz QUHUJZAZRAXGBV-SOUVJXGZSA-N 1 0 274.339 2.290 10 30 CEEERO C=CCNC(=O)N1CCCSC[C@@H]1C[NH+]1CCCCC1 ZINC000090701798 180027788 /nfs/dbraw/zinc/02/77/88/180027788.db2.gz SUASKTOXTLZNKQ-AWEZNQCLSA-N 1 0 297.468 2.175 10 30 CEEERO [NH3+]CC#Cc1cccc(OC[C@H]2Cc3ccccc3O2)c1 ZINC000090876384 180051702 /nfs/dbraw/zinc/05/17/02/180051702.db2.gz CYBNBIFGEOYXEY-QGZVFWFLSA-N 1 0 279.339 2.379 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)[C@@H]2Cc3ccccc32)cc1 ZINC000090985719 180080794 /nfs/dbraw/zinc/08/07/94/180080794.db2.gz HNUCJPFLFAHGBH-QGZVFWFLSA-N 1 0 276.339 2.275 10 30 CEEERO N#Cc1ccccc1Cn1cc(C[NH3+])c2cccnc21 ZINC000091019199 180088094 /nfs/dbraw/zinc/08/80/94/180088094.db2.gz YGPFLZAJHDYUSB-UHFFFAOYSA-N 1 0 262.316 2.415 10 30 CEEERO C[NH2+]Cc1cn(Cc2cccnc2C#N)c2ncccc12 ZINC000091019296 180088285 /nfs/dbraw/zinc/08/82/85/180088285.db2.gz ZMIYXKULZNQKEM-UHFFFAOYSA-N 1 0 277.331 2.071 10 30 CEEERO CSC1(C#N)CC[NH+](CCc2cccnc2)CC1 ZINC000091471450 180165208 /nfs/dbraw/zinc/16/52/08/180165208.db2.gz URZSPMUEVOATEX-UHFFFAOYSA-N 1 0 261.394 2.345 10 30 CEEERO C#CCC[C@@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000091613198 180208170 /nfs/dbraw/zinc/20/81/70/180208170.db2.gz ACDAUYBCSAQPGD-HZPDHXFCSA-N 1 0 266.429 2.269 10 30 CEEERO CC[NH2+][C@@H](C)c1ccn(Cc2cccnc2C#N)c1 ZINC000091804834 180260028 /nfs/dbraw/zinc/26/00/28/180260028.db2.gz OXDKZNUKDJQESW-LBPRGKRZSA-N 1 0 254.337 2.474 10 30 CEEERO C=CCCCOCCn1cc(C[NH2+]CC(C)C)nn1 ZINC000091842385 180268861 /nfs/dbraw/zinc/26/88/61/180268861.db2.gz JAOCLNCNIPWCPN-UHFFFAOYSA-N 1 0 266.389 2.007 10 30 CEEERO CC[NH+]1CCC(O)([C@@]2(C#N)CCOc3ccccc32)CC1 ZINC000091878290 180278847 /nfs/dbraw/zinc/27/88/47/180278847.db2.gz QINJMYJWELBDCU-MRXNPFEDSA-N 1 0 286.375 2.077 10 30 CEEERO C=C(C)[C@@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000092128205 180329021 /nfs/dbraw/zinc/32/90/21/180329021.db2.gz NIKLZNHRGOQKAM-CABCVRRESA-N 1 0 254.418 2.432 10 30 CEEERO CCc1nn(-c2ccc(C#N)cc2)c(CC)c1C[NH3+] ZINC000092319779 180361867 /nfs/dbraw/zinc/36/18/67/180361867.db2.gz YRJFZVVJZFGLLK-UHFFFAOYSA-N 1 0 254.337 2.327 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(C)nc2ccccc21 ZINC000092469816 180392785 /nfs/dbraw/zinc/39/27/85/180392785.db2.gz RTVDLAQANUHKRN-UHFFFAOYSA-N 1 0 255.321 2.257 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000092473773 180392822 /nfs/dbraw/zinc/39/28/22/180392822.db2.gz ATQQXUGTBUBHFR-CYBMUJFWSA-N 1 0 276.380 2.427 10 30 CEEERO C=CC[NH2+]CC(=O)N(CC)[C@H](C)c1cccc(O)c1 ZINC000092475093 180393765 /nfs/dbraw/zinc/39/37/65/180393765.db2.gz VSBLEAYEBJSPET-GFCCVEGCSA-N 1 0 262.353 2.077 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OCC)c(Cl)c1 ZINC000092474403 180394250 /nfs/dbraw/zinc/39/42/50/180394250.db2.gz GAGDRNXQTLTBTB-UHFFFAOYSA-N 1 0 268.744 2.453 10 30 CEEERO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C#N)c2ccccc2)C1 ZINC000110250318 186288626 /nfs/dbraw/zinc/28/86/26/186288626.db2.gz FTHLJRKPCTXLFK-CVEARBPZSA-N 1 0 285.391 2.236 10 30 CEEERO [NH3+]CC#Cc1ccccc1CSc1cnccn1 ZINC000110914140 186332946 /nfs/dbraw/zinc/33/29/46/186332946.db2.gz JCAGEWKFAPVSOX-UHFFFAOYSA-N 1 0 255.346 2.079 10 30 CEEERO CCCN(C(=O)C#Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000110941100 186334168 /nfs/dbraw/zinc/33/41/68/186334168.db2.gz HQHTVZTVOMFQBH-MRXNPFEDSA-N 1 0 270.376 2.029 10 30 CEEERO CCCN(C(=O)C#Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000110941104 186334179 /nfs/dbraw/zinc/33/41/79/186334179.db2.gz HQHTVZTVOMFQBH-INIZCTEOSA-N 1 0 270.376 2.029 10 30 CEEERO CCN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110941206 186334692 /nfs/dbraw/zinc/33/46/92/186334692.db2.gz JGQTXSFDLPMDDZ-CQSZACIVSA-N 1 0 272.352 2.164 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000110736921 186319268 /nfs/dbraw/zinc/31/92/68/186319268.db2.gz KHTHARIKAHPHQB-HOTGVXAUSA-N 1 0 280.460 2.073 10 30 CEEERO CCOCC[N@H+](CC)CC[C@](C)(C#N)NC(C)C ZINC000111121579 186355254 /nfs/dbraw/zinc/35/52/54/186355254.db2.gz LMAFGRKQNGRROC-CQSZACIVSA-N 1 0 255.406 2.015 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169018 186365672 /nfs/dbraw/zinc/36/56/72/186365672.db2.gz ICDLAQOJABMONU-HOTGVXAUSA-N 1 0 281.444 2.407 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246845 186375848 /nfs/dbraw/zinc/37/58/48/186375848.db2.gz UWXGVVOFOPNRDK-ZDUSSCGKSA-N 1 0 297.280 2.347 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111267959 186383007 /nfs/dbraw/zinc/38/30/07/186383007.db2.gz HSSCFQYYDKRDAX-CZUORRHYSA-N 1 0 288.391 2.065 10 30 CEEERO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179468571 189196472 /nfs/dbraw/zinc/19/64/72/189196472.db2.gz KJJFHOHIBNJXPH-MRXNPFEDSA-N 1 0 296.374 2.127 10 30 CEEERO C[C@H]1C[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180169287 189241356 /nfs/dbraw/zinc/24/13/56/189241356.db2.gz CWOLTFIHSHONAB-XHDPSFHLSA-N 1 0 266.348 2.457 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc2c(cc1C#N)CCC2 ZINC000092631253 364090230 /nfs/dbraw/zinc/09/02/30/364090230.db2.gz BBZRPORFMSHLDW-OAHLLOKOSA-N 1 0 284.407 2.362 10 30 CEEERO CCn1cnnc1[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000102400674 364593298 /nfs/dbraw/zinc/59/32/98/364593298.db2.gz QVVQZRUZYTXXLM-ZDUSSCGKSA-N 1 0 261.373 2.171 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)cc2C)C1 ZINC000121038064 365515407 /nfs/dbraw/zinc/51/54/07/365515407.db2.gz KTARECGSTOANFH-AWEZNQCLSA-N 1 0 271.364 2.081 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000229255658 189797347 /nfs/dbraw/zinc/79/73/47/189797347.db2.gz HKDUQCGABYWWSU-ZJUUUORDSA-N 1 0 294.196 2.494 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC000192029310 369765496 /nfs/dbraw/zinc/76/54/96/369765496.db2.gz YLPNVUVBLHCWMG-AWEZNQCLSA-N 1 0 284.338 2.420 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1C#N ZINC000247196389 371075246 /nfs/dbraw/zinc/07/52/46/371075246.db2.gz LKXSQFXMMRCBRZ-HOCLYGCPSA-N 1 0 285.391 2.106 10 30 CEEERO N#Cc1c(CN2CC[N@@H+]3CCCC[C@H]3C2)cn2ccccc12 ZINC000248359086 371178967 /nfs/dbraw/zinc/17/89/67/371178967.db2.gz RNQZLSYXTKFGHR-INIZCTEOSA-N 1 0 294.402 2.481 10 30 CEEERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)CC2 ZINC000248993960 371280146 /nfs/dbraw/zinc/28/01/46/371280146.db2.gz OJNJSICEXBFZDH-HZSPNIEDSA-N 1 0 287.411 2.388 10 30 CEEERO C(#Cc1ccccc1)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248892478 371266142 /nfs/dbraw/zinc/26/61/42/371266142.db2.gz SIMBHFFXODFQQI-KRWDZBQOSA-N 1 0 254.377 2.208 10 30 CEEERO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)cc1C#N ZINC000261574475 371657400 /nfs/dbraw/zinc/65/74/00/371657400.db2.gz BESQLAANNZWXIF-NEPJUHHUSA-N 1 0 276.771 2.246 10 30 CEEERO Cc1nc(NCC[C@H]2CC[NH2+]C2)c(Cl)cc1C#N ZINC000261582269 371661530 /nfs/dbraw/zinc/66/15/30/371661530.db2.gz RCKRPJXFLNFBRL-SNVBAGLBSA-N 1 0 264.760 2.327 10 30 CEEERO N#Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382469902 375187276 /nfs/dbraw/zinc/18/72/76/375187276.db2.gz OZFWRCHHOHHBGM-GXSJLCMTSA-N 1 0 260.297 2.006 10 30 CEEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000389736220 375306506 /nfs/dbraw/zinc/30/65/06/375306506.db2.gz UZGQIBXBHWGECG-WPRPVWTQSA-N 1 0 284.285 2.382 10 30 CEEERO C[C@@H](CCC[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000311906476 376692684 /nfs/dbraw/zinc/69/26/84/376692684.db2.gz RLXUCQPEYPKBFQ-NSHDSACASA-N 1 0 258.369 2.371 10 30 CEEERO C=CCNC(=O)[C@H](C)Sc1ccc([C@@H](C)[NH3+])cc1 ZINC000079577827 184594058 /nfs/dbraw/zinc/59/40/58/184594058.db2.gz UIAHPMCNRYGLPG-MNOVXSKESA-N 1 0 264.394 2.489 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000092953659 184637510 /nfs/dbraw/zinc/63/75/10/184637510.db2.gz VHNCMGXOIFLRPE-CZUORRHYSA-N 1 0 288.391 2.208 10 30 CEEERO C=C(CC)C[C@H]([NH2+]CCC)[C@@H]1CN(CC)CCO1 ZINC000093915613 184742430 /nfs/dbraw/zinc/74/24/30/184742430.db2.gz YXXCUSIJOKKDBB-GJZGRUSLSA-N 1 0 254.418 2.432 10 30 CEEERO C[C@@H](CNc1ccc(C#N)c(N)c1)[NH+]1CCCCC1 ZINC000094590732 184822022 /nfs/dbraw/zinc/82/20/22/184822022.db2.gz MLZLZGUBOUTYKF-LBPRGKRZSA-N 1 0 258.369 2.427 10 30 CEEERO N#Cc1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000094593588 184823322 /nfs/dbraw/zinc/82/33/22/184823322.db2.gz YHMUKHAGOSQQQF-GHMZBOCLSA-N 1 0 261.281 2.115 10 30 CEEERO C[C@H]1CN(CCCOc2cccc(C#N)c2)C[C@H]1[NH+](C)C ZINC000251572902 131129797 /nfs/dbraw/zinc/12/97/97/131129797.db2.gz CBNKUNKDWZVVMX-WMLDXEAASA-N 1 0 287.407 2.209 10 30 CEEERO C[C@@H]1C[C@@H](O)C[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000401835841 533672970 /nfs/dbraw/zinc/67/29/70/533672970.db2.gz NWFGKIOXWMLROQ-UKRRQHHQSA-N 1 0 274.364 2.030 10 30 CEEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261729807 394606612 /nfs/dbraw/zinc/60/66/12/394606612.db2.gz QZVBRWSODXXJCV-NILFDRSVSA-N 1 0 278.359 2.280 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000131087368 394903756 /nfs/dbraw/zinc/90/37/56/394903756.db2.gz VVWOLRRINGVJCF-YUTCNCBUSA-N 1 0 286.335 2.030 10 30 CEEERO C#CCCCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000155024111 395025972 /nfs/dbraw/zinc/02/59/72/395025972.db2.gz QRGUPFJCDJTUHV-LSDHHAIUSA-N 1 0 277.412 2.058 10 30 CEEERO C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400696112 395254212 /nfs/dbraw/zinc/25/42/12/395254212.db2.gz BBOIYORIJVCBDY-BFHYXJOUSA-N 1 0 298.427 2.159 10 30 CEEERO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181506859 395218186 /nfs/dbraw/zinc/21/81/86/395218186.db2.gz OHCBUGKFPGOMBY-HNNXBMFYSA-N 1 0 283.375 2.018 10 30 CEEERO CC[C@@H]1CN(CC#Cc2ccccc2)CC[N@@H+]1CCOC ZINC000192001611 395370334 /nfs/dbraw/zinc/37/03/34/395370334.db2.gz LQHOTZKHYVXPEU-GOSISDBHSA-N 1 0 286.419 2.081 10 30 CEEERO C=C[C@](C)(O)C[N@H+](CC)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104985148 400261949 /nfs/dbraw/zinc/26/19/49/400261949.db2.gz ISKZIRCXSQBNNN-WBVHZDCISA-N 1 0 288.391 2.439 10 30 CEEERO N#Cc1cc(Br)ccc1NC[C@@H]([NH3+])C1CC1 ZINC000165308316 162344817 /nfs/dbraw/zinc/34/48/17/162344817.db2.gz LAEIHXZXBTYOHY-LLVKDONJSA-N 1 0 280.169 2.470 10 30 CEEERO N#Cc1ccc(NCCC[NH3+])c(Br)c1 ZINC000168990944 165034837 /nfs/dbraw/zinc/03/48/37/165034837.db2.gz HFLWZFQZGTXYFM-UHFFFAOYSA-N 1 0 254.131 2.081 10 30 CEEERO C[NH+](C)CCCN[C@@H](C#N)c1ccc(Cl)cc1 ZINC000020174189 171041456 /nfs/dbraw/zinc/04/14/56/171041456.db2.gz YTLAEGMPFFNVPZ-ZDUSSCGKSA-N 1 0 251.761 2.446 10 30 CEEERO C=CCOc1ccccc1C[NH2+]CCCOCCOC ZINC000035015578 171932922 /nfs/dbraw/zinc/93/29/22/171932922.db2.gz NGFJGZHHBRVVBF-UHFFFAOYSA-N 1 0 279.380 2.394 10 30 CEEERO N#CCc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000037030966 172897999 /nfs/dbraw/zinc/89/79/99/172897999.db2.gz PZMDZBAXNZASQD-UHFFFAOYSA-N 1 0 257.337 2.353 10 30 CEEERO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccccc1C#N ZINC000037173176 173007031 /nfs/dbraw/zinc/00/70/31/173007031.db2.gz NYRCQTHGGIUASR-GFCCVEGCSA-N 1 0 259.353 2.475 10 30 CEEERO N#Cc1c2c(sc1NC(=O)[C@@H]1CCC[NH2+]C1)CCC2 ZINC000040853110 174421691 /nfs/dbraw/zinc/42/16/91/174421691.db2.gz XKHWRHOTVPZTSR-SECBINFHSA-N 1 0 275.377 2.047 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(CC)CCO1 ZINC000657942989 415136237 /nfs/dbraw/zinc/13/62/37/415136237.db2.gz HWAQPFDINJUDIF-OWCLPIDISA-N 1 0 266.429 2.432 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CCC#N)C(C)C ZINC000043340886 175014213 /nfs/dbraw/zinc/01/42/13/175014213.db2.gz UMEHYYVXAXSTBN-DZGCQCFKSA-N 1 0 260.385 2.484 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CC)C[C@@H](C)C#N ZINC000043340723 175014550 /nfs/dbraw/zinc/01/45/50/175014550.db2.gz IBMZCXWTQUELCS-GZBFAFLISA-N 1 0 260.385 2.342 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](N(CCC#N)C(C)C)C(F)(F)F ZINC000043379011 175031052 /nfs/dbraw/zinc/03/10/52/175031052.db2.gz AMIZFORAGZTVPA-NXEZZACHSA-N 1 0 251.296 2.279 10 30 CEEERO CC(C)CN(CC[NH+](C)C)Cc1ccc(C#CCO)s1 ZINC000043682120 175091179 /nfs/dbraw/zinc/09/11/79/175091179.db2.gz ZHPZHOXLYSKOGE-UHFFFAOYSA-N 1 0 294.464 2.112 10 30 CEEERO C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C#N)CCCCC1 ZINC000044767400 175249961 /nfs/dbraw/zinc/24/99/61/175249961.db2.gz QVHRBMYKAHFMKO-ZDUSSCGKSA-N 1 0 263.385 2.061 10 30 CEEERO CC1(NC(=O)c2ccc(C#CC[NH3+])cc2)CCCCC1 ZINC000045047649 175297271 /nfs/dbraw/zinc/29/72/71/175297271.db2.gz QQUNHANTMFWGSK-UHFFFAOYSA-N 1 0 270.376 2.449 10 30 CEEERO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C#N)cc2N)C1 ZINC000045118686 175311559 /nfs/dbraw/zinc/31/15/59/175311559.db2.gz SYUMFNGOXCLUIJ-CYBMUJFWSA-N 1 0 258.369 2.283 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](CC)[C@@H](C)COC ZINC000045181856 175324752 /nfs/dbraw/zinc/32/47/52/175324752.db2.gz CSLSNIUKWQNLQL-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO COCC[N@H+](CC[C@](C)(C#N)NC1CC1)CC(C)C ZINC000045182044 175325772 /nfs/dbraw/zinc/32/57/72/175325772.db2.gz UPTIINWYKLIJAK-OAHLLOKOSA-N 1 0 267.417 2.015 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@@H+]1CCO[C@@H](CC)C1 ZINC000045310768 175356661 /nfs/dbraw/zinc/35/66/61/175356661.db2.gz WHDRNHWFKHPUIM-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318438 175358958 /nfs/dbraw/zinc/35/89/58/175358958.db2.gz SYWDPLWHGMXPGK-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO C[NH2+][C@H](C)c1ccc(-n2cnc(C#N)n2)c(Cl)c1 ZINC000061842291 175656240 /nfs/dbraw/zinc/65/62/40/175656240.db2.gz WGQPLIAHPVEKPN-MRVPVSSYSA-N 1 0 261.716 2.073 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000659328863 415518503 /nfs/dbraw/zinc/51/85/03/415518503.db2.gz JLRRKIXBDQSQGN-RFGFWPKPSA-N 1 0 250.386 2.365 10 30 CEEERO N#Cc1cc2ccccc2nc1N[C@@H]1CCC[C@@H]1[NH3+] ZINC000071386115 176147579 /nfs/dbraw/zinc/14/75/79/176147579.db2.gz MLFUMWBPMSAGKX-GXTWGEPZSA-N 1 0 252.321 2.398 10 30 CEEERO CC[NH+](CC)CCCN1C(=O)c2ccccc2[C@H]1C#N ZINC000071677982 176242994 /nfs/dbraw/zinc/24/29/94/176242994.db2.gz MIVAPXNFSSYSBE-OAHLLOKOSA-N 1 0 271.364 2.439 10 30 CEEERO CC(C)N1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680404 176244741 /nfs/dbraw/zinc/24/47/41/176244741.db2.gz LHSLDUJBJRGQFR-CQSZACIVSA-N 1 0 257.337 2.177 10 30 CEEERO C[C@]1(C(=O)N(CCC#N)c2ccccc2)CCC[NH2+]1 ZINC000079511255 177510112 /nfs/dbraw/zinc/51/01/12/177510112.db2.gz IDVUYXZGRNDVJJ-OAHLLOKOSA-N 1 0 257.337 2.075 10 30 CEEERO C[NH+]=C(NCc1c(C)noc1C)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000156038729 260778771 /nfs/dbraw/zinc/77/87/71/260778771.db2.gz GHXDNFQFZFXXFV-OKILXGFUSA-N 1 0 290.411 2.489 10 30 CEEERO CN(CCC#N)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179549121 261794934 /nfs/dbraw/zinc/79/49/34/261794934.db2.gz YDNDTOHDAAXGKQ-GOSISDBHSA-N 1 0 298.434 2.316 10 30 CEEERO CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCCC#N)C1 ZINC000195278810 262248646 /nfs/dbraw/zinc/24/86/46/262248646.db2.gz ZNJMVKDOYRCQBV-MRXNPFEDSA-N 1 0 272.396 2.139 10 30 CEEERO N#CCSCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249557824 262698192 /nfs/dbraw/zinc/69/81/92/262698192.db2.gz KMXRACRSRYADJG-KBPBESRZSA-N 1 0 296.461 2.403 10 30 CEEERO C[C@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@H]1[NH3+] ZINC000251731148 274591067 /nfs/dbraw/zinc/59/10/67/274591067.db2.gz KHWGPQBROORQHT-SMDDNHRTSA-N 1 0 266.348 2.280 10 30 CEEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261729797 274930637 /nfs/dbraw/zinc/93/06/37/274930637.db2.gz QZVBRWSODXXJCV-CQDKDKBSSA-N 1 0 278.359 2.280 10 30 CEEERO CCc1nnc(N2CC[C@H]([NH3+])C(C)(C)C2)c(C#N)c1CC ZINC000261648040 276701515 /nfs/dbraw/zinc/70/15/15/276701515.db2.gz JHPBIWZAQDYYHI-AWEZNQCLSA-N 1 0 287.411 2.037 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)cc2Br)C[C@@H]1[NH3+] ZINC000235693399 279880556 /nfs/dbraw/zinc/88/05/56/279880556.db2.gz FCTCPWVJPPXWQX-KWQFWETISA-N 1 0 280.169 2.104 10 30 CEEERO C[C@H]1[C@@H]([NH3+])CCN1c1cccc(Br)c1C#N ZINC000261569404 280100475 /nfs/dbraw/zinc/10/04/75/280100475.db2.gz GHIWYEQDWPIFQR-KWQFWETISA-N 1 0 280.169 2.247 10 30 CEEERO C[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235675047 290590903 /nfs/dbraw/zinc/59/09/03/290590903.db2.gz QQNNWNWMCZMPGE-CMPLNLGQSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]([NH3+])C[C@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000320642088 297497837 /nfs/dbraw/zinc/49/78/37/297497837.db2.gz IGFMMXSIIBLDJC-MNOVXSKESA-N 1 0 258.369 2.370 10 30 CEEERO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000189581811 329383596 /nfs/dbraw/zinc/38/35/96/329383596.db2.gz WOBJZLDBMHTKAW-NVXWUHKLSA-N 1 0 296.455 2.452 10 30 CEEERO COc1cccc(NC(=[NH2+])NCc2cc(C)nc(C)n2)c1 ZINC000261714717 329979078 /nfs/dbraw/zinc/97/90/78/329979078.db2.gz FCNMYNGBDFPOSP-UHFFFAOYSA-N 1 0 285.351 2.029 10 30 CEEERO CC[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262440575 330013097 /nfs/dbraw/zinc/01/30/97/330013097.db2.gz UNQWNJKOHQLIIN-MJBXVCDLSA-N 1 0 279.428 2.155 10 30 CEEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262440620 330013145 /nfs/dbraw/zinc/01/31/45/330013145.db2.gz UOEGTEXDNNFMEW-RQJABVFESA-N 1 0 281.444 2.400 10 30 CEEERO N#C[C@@H]1CCC[C@H]1NC(NCCc1ccco1)=[NH+]C1CC1 ZINC000262689224 330027400 /nfs/dbraw/zinc/02/74/00/330027400.db2.gz VVPDKPAEJRVZTL-SWLSCSKDSA-N 1 0 286.379 2.212 10 30 CEEERO C#CCNC(NCc1nc(C(C)C)c(C)s1)=[NH+]CC ZINC000262767435 330030239 /nfs/dbraw/zinc/03/02/39/330030239.db2.gz HTHRVODNSUFIRF-UHFFFAOYSA-N 1 0 278.425 2.263 10 30 CEEERO Cc1nn(-c2ccccc2)cc1CNC(=[NH2+])NC1CCC1 ZINC000263143542 330045676 /nfs/dbraw/zinc/04/56/76/330045676.db2.gz ONYWXRQOOORAQF-UHFFFAOYSA-N 1 0 283.379 2.138 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@H]2CC23CC3)cc1OC ZINC000263181416 330047628 /nfs/dbraw/zinc/04/76/28/330047628.db2.gz UGGFYJHSJANEEC-SNVBAGLBSA-N 1 0 275.352 2.231 10 30 CEEERO C=CC[C@@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000184264304 333126247 /nfs/dbraw/zinc/12/62/47/333126247.db2.gz VLNAHTPNISEMRO-KBPBESRZSA-N 1 0 298.427 2.160 10 30 CEEERO C=CCCCCC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000193362407 333248717 /nfs/dbraw/zinc/24/87/17/333248717.db2.gz SNMNXJNRQLUICE-HNNXBMFYSA-N 1 0 254.418 2.121 10 30 CEEERO C=CCCC[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000181091118 335749938 /nfs/dbraw/zinc/74/99/38/335749938.db2.gz BNOZQZDYDRXRJT-OLZOCXBDSA-N 1 0 253.390 2.077 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049105809 522358213 /nfs/dbraw/zinc/35/82/13/522358213.db2.gz OURHGXIECODPOQ-NEPJUHHUSA-N 1 0 276.355 2.300 10 30 CEEERO C=CCOc1c(OC)cc(C[NH2+]CCOC)cc1OC ZINC000062732857 519005653 /nfs/dbraw/zinc/00/56/53/519005653.db2.gz JWUQDMZPXUZAEV-UHFFFAOYSA-N 1 0 281.352 2.005 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C#N)c1ccccc1 ZINC000061615025 519337824 /nfs/dbraw/zinc/33/78/24/519337824.db2.gz MZESPNTUVIMCQO-HZPDHXFCSA-N 1 0 287.407 2.386 10 30 CEEERO CC(C)CCC(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586481 519636120 /nfs/dbraw/zinc/63/61/20/519636120.db2.gz LRFYLHVNRUAMGH-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CC(C)CCC(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586367 519636152 /nfs/dbraw/zinc/63/61/52/519636152.db2.gz MDKGBHVJGCBDET-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CC(C)[NH2+]Cc1nccn1Cc1ccc(C#N)cc1F ZINC000051005664 519729065 /nfs/dbraw/zinc/72/90/65/519729065.db2.gz SKPHVHVOTKTKPE-UHFFFAOYSA-N 1 0 272.327 2.440 10 30 CEEERO CCC1CC[NH+](C[C@@H](O)COc2cccc(C#N)c2)CC1 ZINC000048907988 519859194 /nfs/dbraw/zinc/85/91/94/519859194.db2.gz APNRXVBHJKFRFA-MRXNPFEDSA-N 1 0 288.391 2.420 10 30 CEEERO CC(C)c1nccn1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049610129 519879591 /nfs/dbraw/zinc/87/95/91/519879591.db2.gz UTQSDVUPTGWDCB-UHFFFAOYSA-N 1 0 283.375 2.396 10 30 CEEERO CCCN[C@@](C)(C#N)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062982529 520032278 /nfs/dbraw/zinc/03/22/78/520032278.db2.gz STEAERPDAYYAKO-DLBZAZTESA-N 1 0 292.471 2.219 10 30 CEEERO CC[NH2+][C@@H](C)CC(=O)N(CC)Cc1ccc(C#N)cc1F ZINC000061272324 520060095 /nfs/dbraw/zinc/06/00/95/520060095.db2.gz CCWTWIMXQGAAPN-LBPRGKRZSA-N 1 0 291.370 2.434 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000068614865 520225279 /nfs/dbraw/zinc/22/52/79/520225279.db2.gz MWDNEQYUPAUWPX-WBVHZDCISA-N 1 0 292.471 2.217 10 30 CEEERO CC1(C)CCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)CC1 ZINC000061824047 520374204 /nfs/dbraw/zinc/37/42/04/520374204.db2.gz YYKZLCLDFCHCST-UHFFFAOYSA-N 1 0 288.366 2.398 10 30 CEEERO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C[C@@](C)(C#N)NC(C)C)C1 ZINC000068615921 520848517 /nfs/dbraw/zinc/84/85/17/520848517.db2.gz DPVDLKRGBHSUAL-BBWFWOEESA-N 1 0 294.487 2.461 10 30 CEEERO CCOc1cccc(C[NH3+])c1OCc1cccnc1C#N ZINC000061656401 521332408 /nfs/dbraw/zinc/33/24/08/521332408.db2.gz NVCRPICFAIJRGT-UHFFFAOYSA-N 1 0 283.331 2.390 10 30 CEEERO CC[NH+]1CCC(N(C)C(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615209 521556176 /nfs/dbraw/zinc/55/61/76/521556176.db2.gz DDSAHJSYLDXBAE-MRXNPFEDSA-N 1 0 285.391 2.236 10 30 CEEERO CCOC1CC[NH+](Cc2ccc(C#CCO)cc2F)CC1 ZINC000049613571 521656873 /nfs/dbraw/zinc/65/68/73/521656873.db2.gz VYGFUQJOCVUYAK-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO CCCN(CC[NH+](C)C)[C@@H](C)C[C@@](C)(C#N)NC(C)C ZINC000068613928 521657643 /nfs/dbraw/zinc/65/76/43/521657643.db2.gz GZLQEPZKDMATMT-HOTGVXAUSA-N 1 0 282.476 2.319 10 30 CEEERO CC[C@@H](C#N)Oc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000062732137 521800928 /nfs/dbraw/zinc/80/09/28/521800928.db2.gz JXSDQFFEVHDXFO-ZDUSSCGKSA-N 1 0 293.323 2.012 10 30 CEEERO CC[C@@H](C#N)Oc1ccc(C[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000062730749 521801911 /nfs/dbraw/zinc/80/19/11/521801911.db2.gz ORQVDTMNWPTRTK-LBPRGKRZSA-N 1 0 293.323 2.012 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(c2ccc(N)cc2C#N)CC1 ZINC000055066236 522133661 /nfs/dbraw/zinc/13/36/61/522133661.db2.gz WYKMFLQRWFTWLR-GFCCVEGCSA-N 1 0 258.369 2.061 10 30 CEEERO C[NH2+][C@@H]1COc2cc(OCc3cccnc3C#N)ccc21 ZINC000062804251 522400420 /nfs/dbraw/zinc/40/04/20/522400420.db2.gz GOFAMZXFDKEHCP-OAHLLOKOSA-N 1 0 281.315 2.185 10 30 CEEERO CC[C@@H](NC(=O)c1cccc(C#CC[NH3+])c1)C(C)C ZINC000049148550 522792035 /nfs/dbraw/zinc/79/20/35/522792035.db2.gz ICNMCRJOTQTHCA-OAHLLOKOSA-N 1 0 258.365 2.161 10 30 CEEERO CC[C@H]1CCC[N@@H+]1CCOc1cccc(C#CCO)c1 ZINC000049615129 523108748 /nfs/dbraw/zinc/10/87/48/523108748.db2.gz KZVYFXUZYFIPIP-INIZCTEOSA-N 1 0 273.376 2.284 10 30 CEEERO C[N@H+](Cc1ccc(C#CCCO)cc1)[C@@H]1CCSC1 ZINC000049617793 523205312 /nfs/dbraw/zinc/20/53/12/523205312.db2.gz RAYDSZVMGPZYBX-MRXNPFEDSA-N 1 0 275.417 2.358 10 30 CEEERO C[N@H+](Cc1ccco1)Cc1ccc(C#CCO)cc1 ZINC000049618201 523435323 /nfs/dbraw/zinc/43/53/23/523435323.db2.gz PDMJPQSWUFBOSO-UHFFFAOYSA-N 1 0 255.317 2.255 10 30 CEEERO COc1ccc(C#CCCO)cc1C[N@H+](C)C1CC1 ZINC000049617392 523510821 /nfs/dbraw/zinc/51/08/21/523510821.db2.gz FZMLHKJRDOBNOM-UHFFFAOYSA-N 1 0 259.349 2.023 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)c1cccs1 ZINC000049587366 523515590 /nfs/dbraw/zinc/51/55/90/523515590.db2.gz HFEOKHCPGZPECM-UHFFFAOYSA-N 1 0 286.356 2.319 10 30 CEEERO CN(c1cccc(C#N)c1)[C@@H](C[NH3+])c1ccncc1 ZINC000061950333 523644438 /nfs/dbraw/zinc/64/44/38/523644438.db2.gz MAASPERGPIQBGM-HNNXBMFYSA-N 1 0 252.321 2.089 10 30 CEEERO C[NH+](C)CC1CCN(C(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061615092 524049036 /nfs/dbraw/zinc/04/90/36/524049036.db2.gz CWMVQCIBZCRZOO-INIZCTEOSA-N 1 0 285.391 2.094 10 30 CEEERO C[C@@H](CN1CCCC1)[NH2+]Cc1cccc(OCC#N)c1 ZINC000049150679 524592610 /nfs/dbraw/zinc/59/26/10/524592610.db2.gz PNIFRVJGPUTPEJ-AWEZNQCLSA-N 1 0 273.380 2.163 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1C#N ZINC000160405651 524690009 /nfs/dbraw/zinc/69/00/09/524690009.db2.gz XQVXSNSZTTVSLH-BLLLJJGKSA-N 1 0 273.355 2.366 10 30 CEEERO C[C@H]1C[C@H](C)C[NH+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049616625 524884536 /nfs/dbraw/zinc/88/45/36/524884536.db2.gz ZPTCWGLIGUCQNT-HOTGVXAUSA-N 1 0 287.403 2.387 10 30 CEEERO C[C@H](C#N)Oc1ccc(CC[NH3+])cc1Br ZINC000062703726 525923280 /nfs/dbraw/zinc/92/32/80/525923280.db2.gz DUGZVBBRZDFKID-MRVPVSSYSA-N 1 0 269.142 2.241 10 30 CEEERO Cc1nn(Cc2ccc(F)cc2C#CC[NH3+])c(C)c1C ZINC000049610247 526292551 /nfs/dbraw/zinc/29/25/51/526292551.db2.gz LOXSFVFIXJVKDU-UHFFFAOYSA-N 1 0 271.339 2.306 10 30 CEEERO N#Cc1cccc(OCc2ccccc2C#CC[NH3+])c1 ZINC000049610630 526729627 /nfs/dbraw/zinc/72/96/27/526729627.db2.gz UJMSSUANIXRHOZ-UHFFFAOYSA-N 1 0 262.312 2.447 10 30 CEEERO C#CCCOc1ccc(C[NH2+]CCn2cc(C)cn2)cc1 ZINC000113338695 526744195 /nfs/dbraw/zinc/74/41/95/526744195.db2.gz AWJXJKFYYGJCLI-UHFFFAOYSA-N 1 0 283.375 2.383 10 30 CEEERO N#Cc1ncccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000061657750 526789974 /nfs/dbraw/zinc/78/99/74/526789974.db2.gz VRBMJWPOCMUMFL-CQSZACIVSA-N 1 0 265.316 2.047 10 30 CEEERO Cc1occc1C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586758 526811582 /nfs/dbraw/zinc/81/15/82/526811582.db2.gz FLZCMAALVBBGNJ-GFCCVEGCSA-N 1 0 282.343 2.389 10 30 CEEERO O=C[C@@H]1CCC[N@@H+](CCc2ccccc2[N+](=O)[O-])C1 ZINC000062727326 527142837 /nfs/dbraw/zinc/14/28/37/527142837.db2.gz SWPKJGPEIIUDMO-GFCCVEGCSA-N 1 0 262.309 2.048 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2ccccn2)c1 ZINC000061691978 527150000 /nfs/dbraw/zinc/15/00/00/527150000.db2.gz RQDKOLKBFHWCOJ-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO [NH3+]CC#Cc1cncc(C(=O)NCCC2CCCCC2)c1 ZINC000049629556 527155218 /nfs/dbraw/zinc/15/52/18/527155218.db2.gz GOFJKQQADVKXOZ-UHFFFAOYSA-N 1 0 285.391 2.092 10 30 CEEERO Cn1cc(SCc2ccc(C#CC[NH3+])cc2)cn1 ZINC000049612935 527291741 /nfs/dbraw/zinc/29/17/41/527291741.db2.gz VXBJFDOFWIJTMK-UHFFFAOYSA-N 1 0 257.362 2.023 10 30 CEEERO Cn1ccnc1SCc1cccc(C#CC[NH3+])c1 ZINC000049611274 527448869 /nfs/dbraw/zinc/44/88/69/527448869.db2.gz OCPYFKZGPOZDOK-UHFFFAOYSA-N 1 0 257.362 2.023 10 30 CEEERO Cn1ccnc1SCc1ccccc1C#CC[NH3+] ZINC000049611268 527449526 /nfs/dbraw/zinc/44/95/26/527449526.db2.gz RWIJXHOBKBHMEM-UHFFFAOYSA-N 1 0 257.362 2.023 10 30 CEEERO OCC#Cc1cc(C[N@@H+]2CCCSCC2)ccc1F ZINC000049615043 527518234 /nfs/dbraw/zinc/51/82/34/527518234.db2.gz XFEWSHDPOYGGKB-UHFFFAOYSA-N 1 0 279.380 2.108 10 30 CEEERO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@@]1(C)C[NH3+] ZINC000310304941 625444254 /nfs/dbraw/zinc/44/42/54/625444254.db2.gz RLNYPNRQDQHEEB-RDDDGLTNSA-N 1 0 270.789 2.089 10 30 CEEERO C[C@H](Nc1nc2c(cc1C#N)CCC2)[C@H]1CCC[NH2+]C1 ZINC000050164288 623328443 /nfs/dbraw/zinc/32/84/43/623328443.db2.gz PPMNEZJGNMHXFR-AAEUAGOBSA-N 1 0 270.380 2.242 10 30 CEEERO C[C@@H](Nc1nc(Cl)c(C#N)s1)[C@@H]1CCC[NH2+]C1 ZINC000235215767 625083680 /nfs/dbraw/zinc/08/36/80/625083680.db2.gz ZVCLQYLFAHSHJE-HTQZYQBOSA-N 1 0 270.789 2.468 10 30 CEEERO C#CCNC(NCC1CCC(C(F)(F)F)CC1)=[NH+]C ZINC000081687165 629858237 /nfs/dbraw/zinc/85/82/37/629858237.db2.gz RYDOZTAKNNDNMQ-UHFFFAOYSA-N 1 0 275.318 2.153 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccccc2C#N)C1 ZINC000060416613 639614473 /nfs/dbraw/zinc/61/44/73/639614473.db2.gz RLRPMHRAXSECSL-ZNFPLGDCSA-N 1 0 283.375 2.172 10 30 CEEERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000324250802 640377449 /nfs/dbraw/zinc/37/74/49/640377449.db2.gz DISILDHOXJYBTG-AWEZNQCLSA-N 1 0 262.353 2.086 10 30 CEEERO C=CCOc1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000185116650 641938146 /nfs/dbraw/zinc/93/81/46/641938146.db2.gz LAGWUVBVVWDJGS-NUEKZKHPSA-N 1 0 286.375 2.061 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000127851447 651326549 /nfs/dbraw/zinc/32/65/49/651326549.db2.gz IJIFTLVFLJICET-SNVBAGLBSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)s1 ZINC000121355373 365558376 /nfs/dbraw/zinc/55/83/76/365558376.db2.gz JZTCENSHUJGJHK-GFCCVEGCSA-N 1 0 261.394 2.290 10 30 CEEERO CC[C@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000124897754 344317360 /nfs/dbraw/zinc/31/73/60/344317360.db2.gz HWYBSOQAFVYIKP-RYUDHWBXSA-N 1 0 274.324 2.030 10 30 CEEERO CC[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@H]1[NH3+] ZINC000251779329 344637399 /nfs/dbraw/zinc/63/73/99/344637399.db2.gz MZHXBCFYTRICHS-IUODEOHRSA-N 1 0 284.407 2.396 10 30 CEEERO CC[C@@H](C#N)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000390774174 344837802 /nfs/dbraw/zinc/83/78/02/344837802.db2.gz LVEXLZSQSPIEJO-ZFWWWQNUSA-N 1 0 273.380 2.173 10 30 CEEERO CCOc1ccccc1OCCC[NH2+]CCS ZINC000584601914 344962884 /nfs/dbraw/zinc/96/28/84/344962884.db2.gz RHDGXRIOEMKVPT-UHFFFAOYSA-N 1 0 255.383 2.374 10 30 CEEERO C=CC[C@]1([NH3+])c2cc(Br)ccc2N(C)C1=O ZINC000584630988 344969404 /nfs/dbraw/zinc/96/94/04/344969404.db2.gz ZSYYDXOJMXMHLI-LBPRGKRZSA-N 1 0 281.153 2.156 10 30 CEEERO C[C@H](C[C@@](C)(N)C#N)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000084294255 178846245 /nfs/dbraw/zinc/84/62/45/178846245.db2.gz RDTSEDVJTWTMJB-VNQPRFMTSA-N 1 0 257.381 2.495 10 30 CEEERO N#Cc1cccc(NCC2([NH3+])CCCC2)c1[N+](=O)[O-] ZINC000594694764 345673985 /nfs/dbraw/zinc/67/39/85/345673985.db2.gz SESWQXUZSFPMJT-UHFFFAOYSA-N 1 0 260.297 2.150 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336787715 365806769 /nfs/dbraw/zinc/80/67/69/365806769.db2.gz MMDDBPNFNACVIQ-ZRUFSTJUSA-N 1 0 262.275 2.378 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000085366631 179037074 /nfs/dbraw/zinc/03/70/74/179037074.db2.gz VZFDYYMQRAAYTL-HZPDHXFCSA-N 1 0 288.391 2.337 10 30 CEEERO Cc1sc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c(C#N)c1C ZINC000085372019 179041770 /nfs/dbraw/zinc/04/17/70/179041770.db2.gz OJDJOAVUPTXCMA-ONGXEEELSA-N 1 0 263.366 2.303 10 30 CEEERO C[C@H]1CC[C@@H](Nc2nc3c(cc2C#N)CCCC3)C[NH2+]1 ZINC000600955094 346716191 /nfs/dbraw/zinc/71/61/91/346716191.db2.gz JWFRDTSUUCINJM-SMDDNHRTSA-N 1 0 270.380 2.384 10 30 CEEERO C[C@@H]1CN(c2cccc(Br)c2C#N)C[C@H]1C[NH3+] ZINC000600960467 346718634 /nfs/dbraw/zinc/71/86/34/346718634.db2.gz ADPYTAFDEVSGDU-NXEZZACHSA-N 1 0 294.196 2.352 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CC[NH3+])s2)[C@@H]1C ZINC000086081160 179227264 /nfs/dbraw/zinc/22/72/64/179227264.db2.gz MOSXLJYNVCAXKW-NQBHXWOUSA-N 1 0 276.405 2.223 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2cc(C#CC[NH3+])ccc2F)CC[C@@H]1C ZINC000086081153 179227414 /nfs/dbraw/zinc/22/74/14/179227414.db2.gz ZKYJMMCHODFACU-HWWQOWPSSA-N 1 0 288.366 2.300 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1ccccc1Br ZINC000086473620 179300332 /nfs/dbraw/zinc/30/03/32/179300332.db2.gz TZXLHUMIITZDQA-NSHDSACASA-N 1 0 280.169 2.307 10 30 CEEERO N#Cc1cccc([C@@H]2CNc3ccccc3N2CC[NH3+])c1 ZINC000616586901 348527060 /nfs/dbraw/zinc/52/70/60/348527060.db2.gz YHAACQNKWDWWPX-KRWDZBQOSA-N 1 0 278.359 2.490 10 30 CEEERO N#Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000089741403 179856711 /nfs/dbraw/zinc/85/67/11/179856711.db2.gz CTGODVMIWQVZBZ-SECBINFHSA-N 1 0 263.728 2.150 10 30 CEEERO C=CCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]C)c1 ZINC000090870841 180049307 /nfs/dbraw/zinc/04/93/07/180049307.db2.gz FXHIXXGLYFUMLZ-LLVKDONJSA-N 1 0 264.394 2.189 10 30 CEEERO CCCN[C@@](C)(C#N)CCCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091431202 180153756 /nfs/dbraw/zinc/15/37/56/180153756.db2.gz NRWVRVFHOWUAFM-DLBZAZTESA-N 1 0 294.487 2.465 10 30 CEEERO Cc1cc(C)cc(NC(=O)c2ccncc2C#CC[NH3+])c1 ZINC000091461043 180161387 /nfs/dbraw/zinc/16/13/87/180161387.db2.gz RVYVEBABRZFHJM-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO CC1(C)C(C(=O)NCc2ccc(C#CC[NH3+])cc2)C1(C)C ZINC000091493001 180170518 /nfs/dbraw/zinc/17/05/18/180170518.db2.gz HYXXOTUJOSLIRF-UHFFFAOYSA-N 1 0 284.403 2.295 10 30 CEEERO Cc1sc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c(C#N)c1C ZINC000091542481 180184211 /nfs/dbraw/zinc/18/42/11/180184211.db2.gz ODIZOTXKUNPTDJ-NXEZZACHSA-N 1 0 263.366 2.303 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091542084 180184247 /nfs/dbraw/zinc/18/42/47/180184247.db2.gz KADUWBRLIVLXRS-MNOVXSKESA-N 1 0 261.300 2.072 10 30 CEEERO CC[NH+]1CCC(O)([C@]2(C#N)CCc3ccccc32)CC1 ZINC000091878314 180278765 /nfs/dbraw/zinc/27/87/65/180278765.db2.gz XSLJAZURCRINEC-INIZCTEOSA-N 1 0 270.376 2.241 10 30 CEEERO Cc1ccc(OCc2ccccc2C#N)c(CC[NH3+])n1 ZINC000091999538 180303463 /nfs/dbraw/zinc/30/34/63/180303463.db2.gz UYRZTWZWTQJDRL-UHFFFAOYSA-N 1 0 267.332 2.342 10 30 CEEERO Cc1ccc(OCc2ccnc(C#N)c2)c(C[C@H](C)[NH3+])n1 ZINC000092000241 180303518 /nfs/dbraw/zinc/30/35/18/180303518.db2.gz LZPXYULOMZXVOJ-NSHDSACASA-N 1 0 282.347 2.125 10 30 CEEERO Cc1ccc(OCC2(CC#N)CC2)c(C[C@@H](C)[NH3+])n1 ZINC000092000342 180303613 /nfs/dbraw/zinc/30/36/13/180303613.db2.gz XRLNRXMMGUKAMV-LLVKDONJSA-N 1 0 259.353 2.352 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000105785538 186071654 /nfs/dbraw/zinc/07/16/54/186071654.db2.gz IZLMIKCLKRLZEG-LLVKDONJSA-N 1 0 250.367 2.187 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)ccc1Cl ZINC000092202815 180343382 /nfs/dbraw/zinc/34/33/82/180343382.db2.gz JULLTWKYMCCQQW-WCBMZHEXSA-N 1 0 261.712 2.054 10 30 CEEERO C[C@@H](C#N)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000109451774 186253375 /nfs/dbraw/zinc/25/33/75/186253375.db2.gz PGBMWDJYYOLHGU-AWEZNQCLSA-N 1 0 280.375 2.264 10 30 CEEERO C[C@H]1CCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])CC1 ZINC000110817767 186327627 /nfs/dbraw/zinc/32/76/27/186327627.db2.gz DABKLFFZSDZORF-ZDUSSCGKSA-N 1 0 288.366 2.398 10 30 CEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000110718612 186315975 /nfs/dbraw/zinc/31/59/75/186315975.db2.gz DOTRHYLSAWUQCP-CQSZACIVSA-N 1 0 261.344 2.223 10 30 CEEERO CC[N@@H+]1CCN(Cc2cc(C#CCCO)cs2)C[C@@H]1C ZINC000110734495 186318164 /nfs/dbraw/zinc/31/81/64/186318164.db2.gz SGXFAOXDSVEDMG-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)s1)C[C@@H]1CCCOC1 ZINC000111168228 186363552 /nfs/dbraw/zinc/36/35/52/186363552.db2.gz KSACMCWNQSGDMD-AWEZNQCLSA-N 1 0 293.432 2.340 10 30 CEEERO N#Cc1ccc(N2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000070188625 363050982 /nfs/dbraw/zinc/05/09/82/363050982.db2.gz MIYFLJQLQPWGQQ-UHFFFAOYSA-N 1 0 274.324 2.032 10 30 CEEERO C[C@H]1CN(CCCOc2cccc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124145031 187123691 /nfs/dbraw/zinc/12/36/91/187123691.db2.gz CBNKUNKDWZVVMX-YOEHRIQHSA-N 1 0 287.407 2.209 10 30 CEEERO C=CCC[C@@H](C[NH+](C)C)Oc1cc(C(=O)NCC)ccn1 ZINC000072475847 363137014 /nfs/dbraw/zinc/13/70/14/363137014.db2.gz GRRLKINVGWGZJX-AWEZNQCLSA-N 1 0 291.395 2.107 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(C#N)c2)[C@@H](C)C1 ZINC000155602157 188215620 /nfs/dbraw/zinc/21/56/20/188215620.db2.gz AOFPYTOXCKJFRQ-WFASDCNBSA-N 1 0 271.364 2.017 10 30 CEEERO Cn1cc([C@H]2CCCN2Cc2ccc(C#N)o2)cn1 ZINC000131865764 366094446 /nfs/dbraw/zinc/09/44/46/366094446.db2.gz QLEWPIZEAIGQBV-CQSZACIVSA-N 1 0 256.309 2.222 10 30 CEEERO N#CCSCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000074981856 363429523 /nfs/dbraw/zinc/42/95/23/363429523.db2.gz GJNHDIZXIZTNOE-CHWSQXEVSA-N 1 0 254.399 2.277 10 30 CEEERO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)CCS1 ZINC000134343798 366310163 /nfs/dbraw/zinc/31/01/63/366310163.db2.gz YTJGMANXPYKQDW-LBPRGKRZSA-N 1 0 262.378 2.374 10 30 CEEERO C#CC[NH2+][C@H]1CCc2ccc(OC(=O)N(C)CC)cc21 ZINC000027623423 361656198 /nfs/dbraw/zinc/65/61/98/361656198.db2.gz LHXOCOHMBFOVJS-HNNXBMFYSA-N 1 0 272.348 2.347 10 30 CEEERO C[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000094592269 364282039 /nfs/dbraw/zinc/28/20/39/364282039.db2.gz ATUUWLGWXYYHBA-QMTHXVAHSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]([NH3+])[C@H](C)Nc1cccc(Br)c1C#N ZINC000335846311 365062957 /nfs/dbraw/zinc/06/29/57/365062957.db2.gz WNKBYGWYCKSWKE-SFYZADRCSA-N 1 0 268.158 2.468 10 30 CEEERO C=CC[C@@H](C)NC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000117034424 365089035 /nfs/dbraw/zinc/08/90/35/365089035.db2.gz CJUQCSHPWLJARA-CHWSQXEVSA-N 1 0 255.406 2.227 10 30 CEEERO N#Cc1ccc(C[N@H+]2CC[C@H](CCO)C2)c(Cl)c1 ZINC000162939654 367206210 /nfs/dbraw/zinc/20/62/10/367206210.db2.gz PYUNFBQGUZGGMT-LLVKDONJSA-N 1 0 264.756 2.416 10 30 CEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[C@H](C)O1)C(C)C ZINC000245964832 370894935 /nfs/dbraw/zinc/89/49/35/370894935.db2.gz DMASGYUEHLUCGY-XHSDSOJGSA-N 1 0 294.439 2.369 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc(C#N)cc2)C1 ZINC000246162197 370918418 /nfs/dbraw/zinc/91/84/18/370918418.db2.gz DKLQGGKZBCMWLH-SWLSCSKDSA-N 1 0 286.379 2.408 10 30 CEEERO C=CC(C)(C)CCNC(=O)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634772350 368876343 /nfs/dbraw/zinc/87/63/43/368876343.db2.gz HRAKHFWWHDSVEX-WFASDCNBSA-N 1 0 250.386 2.095 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000229596902 189800490 /nfs/dbraw/zinc/80/04/90/189800490.db2.gz YIDDUWHARITOPE-CABZTGNLSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)ccc1F ZINC000246420755 370959077 /nfs/dbraw/zinc/95/90/77/370959077.db2.gz CNYDMCCALPOUED-HNNXBMFYSA-N 1 0 273.355 2.367 10 30 CEEERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000246455309 370963842 /nfs/dbraw/zinc/96/38/42/370963842.db2.gz YIXSIHILDZBDDG-CZUORRHYSA-N 1 0 257.381 2.377 10 30 CEEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCSCC#N ZINC000072514827 284189598 /nfs/dbraw/zinc/18/95/98/284189598.db2.gz ZJIGGQAVAGKZSY-RDBSUJKOSA-N 1 0 296.436 2.439 10 30 CEEERO Cc1cc(NCC[NH+]2CCCCC2)c(C#N)c(C)n1 ZINC000211682604 370162940 /nfs/dbraw/zinc/16/29/40/370162940.db2.gz GFGIJAIPTUXOBI-UHFFFAOYSA-N 1 0 258.369 2.468 10 30 CEEERO C=CC1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247444161 371108744 /nfs/dbraw/zinc/10/87/44/371108744.db2.gz SFIHESHFRUGQFF-UKRRQHHQSA-N 1 0 279.428 2.323 10 30 CEEERO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000248597509 371219775 /nfs/dbraw/zinc/21/97/75/371219775.db2.gz MVUDYFNNVUHOOS-XQQFMLRXSA-N 1 0 266.385 2.408 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncccc1C#N ZINC000252661441 371462675 /nfs/dbraw/zinc/46/26/75/371462675.db2.gz KKSNOYOWHJATRC-JSGCOSHPSA-N 1 0 256.353 2.016 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000382464723 375186034 /nfs/dbraw/zinc/18/60/34/375186034.db2.gz ZPFSUHVLFBAQGK-MNOVXSKESA-N 1 0 260.297 2.148 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382462504 375186331 /nfs/dbraw/zinc/18/63/31/375186331.db2.gz XEFGQWRJRMYLEW-KWQFWETISA-N 1 0 295.184 2.255 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106432620 284995709 /nfs/dbraw/zinc/99/57/09/284995709.db2.gz FWXHNWWNUSAALQ-GOEBONIOSA-N 1 0 287.407 2.167 10 30 CEEERO N#Cc1cccc(OC[C@@H]2CO[C@H]3C[N@@H+](C4CCC4)C[C@H]32)c1 ZINC000247661835 256696782 /nfs/dbraw/zinc/69/67/82/256696782.db2.gz TXWTXJKYWNVVRP-JLSDUUJJSA-N 1 0 298.386 2.436 10 30 CEEERO CC(C)N[C@]1(C#N)CC[C@H]([N@H+](C)CC2CCOCC2)C1 ZINC000093803260 184723140 /nfs/dbraw/zinc/72/31/40/184723140.db2.gz BRAHBPLODUVBPK-JKSUJKDBSA-N 1 0 279.428 2.158 10 30 CEEERO CC[C@@](C)([NH3+])COc1nc(C(F)(F)F)ccc1C#N ZINC000094337720 184783415 /nfs/dbraw/zinc/78/34/15/184783415.db2.gz ZEMGFLVLMRSZKS-LLVKDONJSA-N 1 0 273.258 2.478 10 30 CEEERO N#C[C@@H](c1ccccc1C1CC1)N1CCC[NH2+]CC1 ZINC000094527908 184814171 /nfs/dbraw/zinc/81/41/71/184814171.db2.gz ZCSKRWDVQNPIAM-INIZCTEOSA-N 1 0 255.365 2.424 10 30 CEEERO CCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000094592239 184822575 /nfs/dbraw/zinc/82/25/75/184822575.db2.gz DCRWIMJJZYXLHQ-CYBMUJFWSA-N 1 0 274.324 2.045 10 30 CEEERO C#CCCCC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000192094952 130369893 /nfs/dbraw/zinc/36/98/93/130369893.db2.gz AJPSZYIMOFWLEN-OAHLLOKOSA-N 1 0 258.365 2.209 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000086115343 135038661 /nfs/dbraw/zinc/03/86/61/135038661.db2.gz BFTTZSFFKDESMK-ZDUSSCGKSA-N 1 0 289.766 2.459 10 30 CEEERO C[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H]1[NH+](C)C ZINC000251550413 394568559 /nfs/dbraw/zinc/56/85/59/394568559.db2.gz BEUVMILDDPKRSG-MLGOLLRUSA-N 1 0 280.375 2.493 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(F)cc1 ZINC000154733894 395024186 /nfs/dbraw/zinc/02/41/86/395024186.db2.gz MESPSCSPMJBGDY-RHSMWYFYSA-N 1 0 272.367 2.346 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000174854594 395128945 /nfs/dbraw/zinc/12/89/45/395128945.db2.gz YXRHODHGJXSPQY-AWEZNQCLSA-N 1 0 275.400 2.320 10 30 CEEERO N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398808121 395238436 /nfs/dbraw/zinc/23/84/36/395238436.db2.gz UNCYWIKRTHMBSR-JYJNAYRXSA-N 1 0 256.349 2.151 10 30 CEEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000186218238 395287085 /nfs/dbraw/zinc/28/70/85/395287085.db2.gz DKLKZAZYBVQMGX-MRXNPFEDSA-N 1 0 281.363 2.295 10 30 CEEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000193182158 395403107 /nfs/dbraw/zinc/40/31/07/395403107.db2.gz IPZSVEBSNQKYBV-SMDDNHRTSA-N 1 0 279.409 2.453 10 30 CEEERO COCC[NH2+]CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000215509994 153290239 /nfs/dbraw/zinc/29/02/39/153290239.db2.gz ZCDKMXVQEZVKLV-UHFFFAOYSA-N 1 0 287.285 2.225 10 30 CEEERO CCCN(c1nc(C)c(C#N)cc1Cl)[C@@H]1CC[NH2+]C1 ZINC000261587093 153779579 /nfs/dbraw/zinc/77/95/79/153779579.db2.gz JFOVCAWFNLAVPQ-GFCCVEGCSA-N 1 0 278.787 2.493 10 30 CEEERO N#Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000131803868 162298722 /nfs/dbraw/zinc/29/87/22/162298722.db2.gz SIGTYRBIYTYPQD-SKDRFNHKSA-N 1 0 260.297 2.006 10 30 CEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)CC2 ZINC000181938402 165361162 /nfs/dbraw/zinc/36/11/62/165361162.db2.gz VRQGHPIZSGWMHJ-IUODEOHRSA-N 1 0 295.390 2.378 10 30 CEEERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCO ZINC000005275368 170082061 /nfs/dbraw/zinc/08/20/61/170082061.db2.gz NFKLPTMMLYYXEQ-RBSFLKMASA-N 1 0 286.436 2.059 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CC)C[C@@H](C)C#N ZINC000043340719 175014749 /nfs/dbraw/zinc/01/47/49/175014749.db2.gz IBMZCXWTQUELCS-GUTXKFCHSA-N 1 0 260.385 2.342 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](c1ccccn1)[C@H](C)[NH3+] ZINC000043341836 175015046 /nfs/dbraw/zinc/01/50/46/175015046.db2.gz SKOFNMKQORVHBX-ZBEGNZNMSA-N 1 0 283.331 2.429 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CC)C[C@@H](C)C#N ZINC000043348192 175018817 /nfs/dbraw/zinc/01/88/17/175018817.db2.gz IASLGATXUYRJQR-QEJZJMRPSA-N 1 0 260.385 2.342 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](C[NH3+])c1ccncc1 ZINC000043355164 175023136 /nfs/dbraw/zinc/02/31/36/175023136.db2.gz OXYHRHWGDBDDLD-OAHLLOKOSA-N 1 0 269.304 2.041 10 30 CEEERO Cc1ccc([C@@H](C[NH3+])N(CCC#N)Cc2cccnc2)o1 ZINC000043363902 175025017 /nfs/dbraw/zinc/02/50/17/175025017.db2.gz SXDGLRKFZXKVMX-OAHLLOKOSA-N 1 0 284.363 2.399 10 30 CEEERO C[N@H+](CCc1ccccn1)Cc1sccc1C#CCO ZINC000043679291 175089514 /nfs/dbraw/zinc/08/95/14/175089514.db2.gz IGSVOASBOKHHPK-UHFFFAOYSA-N 1 0 286.400 2.161 10 30 CEEERO C[C@H](CNc1ccc(N)cc1C#N)[NH+]1CCCCC1 ZINC000044989366 175285671 /nfs/dbraw/zinc/28/56/71/175285671.db2.gz QSUUOHNIQQOZKK-GFCCVEGCSA-N 1 0 258.369 2.427 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045307130 175355780 /nfs/dbraw/zinc/35/57/80/175355780.db2.gz NAWQVGAUMGDJCN-ZNMIVQPWSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1 ZINC000045311512 175356842 /nfs/dbraw/zinc/35/68/42/175356842.db2.gz OYFQPXYKYHNIDY-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316600 175357785 /nfs/dbraw/zinc/35/77/85/175357785.db2.gz HWJLBXMMHGOJGQ-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CC[NH2+][C@H](C)c1ccc(-n2cnc(C#N)n2)c(Cl)c1 ZINC000061842293 175656328 /nfs/dbraw/zinc/65/63/28/175656328.db2.gz JYHUVTIZVGFJQF-SECBINFHSA-N 1 0 275.743 2.463 10 30 CEEERO COCCN(CCC#N)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000071222056 176087592 /nfs/dbraw/zinc/08/75/92/176087592.db2.gz HLXIRRWWMXOIFB-JTQLQIEISA-N 1 0 287.816 2.263 10 30 CEEERO C=CCCOc1c(OC)cc(C[NH2+]C)cc1OC ZINC000071274496 176106378 /nfs/dbraw/zinc/10/63/78/176106378.db2.gz DMVREDVUSPMTGY-UHFFFAOYSA-N 1 0 251.326 2.378 10 30 CEEERO CCOC(=O)CCCCC[NH+]1CCN([C@@H](C#N)CC)CC1 ZINC000071297585 176112705 /nfs/dbraw/zinc/11/27/05/176112705.db2.gz ATKPUHVLUBXACG-OAHLLOKOSA-N 1 0 295.427 2.030 10 30 CEEERO Cc1ccc(C(=O)NCc2cc(C#CC[NH3+])cs2)cc1 ZINC000071322225 176122763 /nfs/dbraw/zinc/12/27/63/176122763.db2.gz ZHXVDILMOAYMSN-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)c2cccs2)c1 ZINC000071322230 176122997 /nfs/dbraw/zinc/12/29/97/176122997.db2.gz MQCSDCIZPHTRKK-UHFFFAOYSA-N 1 0 276.386 2.050 10 30 CEEERO CCn1c(C[NH3+])nnc1SCc1cc(C#N)ccc1F ZINC000071374643 176140059 /nfs/dbraw/zinc/14/00/59/176140059.db2.gz MEPHBZADPSCXNX-UHFFFAOYSA-N 1 0 291.355 2.060 10 30 CEEERO CCC[NH2+]CCOc1nc2ccccc2cc1C#N ZINC000071386316 176147592 /nfs/dbraw/zinc/14/75/92/176147592.db2.gz WZHQXWJBKXLNJO-UHFFFAOYSA-N 1 0 255.321 2.485 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406887 176156131 /nfs/dbraw/zinc/15/61/31/176156131.db2.gz GSSRPKZCUHSQIL-ZDUSSCGKSA-N 1 0 288.391 2.317 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2F)C1C#N ZINC000071678305 176243063 /nfs/dbraw/zinc/24/30/63/176243063.db2.gz JHYJNEATJLTXOH-ZDUSSCGKSA-N 1 0 275.327 2.188 10 30 CEEERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc(C(F)(F)F)ccc1C#N ZINC000078835854 177396144 /nfs/dbraw/zinc/39/61/44/177396144.db2.gz COCWYSLFVLRWEP-SNVBAGLBSA-N 1 0 298.312 2.360 10 30 CEEERO Cc1c(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc(C#N)n1C ZINC000078877648 177399730 /nfs/dbraw/zinc/39/97/30/177399730.db2.gz WZRICPQIQBZPKM-INIZCTEOSA-N 1 0 281.359 2.299 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+] ZINC000079527594 177515907 /nfs/dbraw/zinc/51/59/07/177515907.db2.gz CSBLIAWGHSBQGG-PKIAMQTDSA-N 1 0 287.338 2.318 10 30 CEEERO [NH3+]CC#Cc1ccc(F)cc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000080159289 177617012 /nfs/dbraw/zinc/61/70/12/177617012.db2.gz QFXZLZVQDFXODY-GHJWDPDVSA-N 1 0 286.350 2.054 10 30 CEEERO CC[C@H]1C[N@H+](CCCC(C)(C)C#N)CCN1CCOC ZINC000174849432 261199342 /nfs/dbraw/zinc/19/93/42/261199342.db2.gz PSLYOVBZSICOEA-HNNXBMFYSA-N 1 0 281.444 2.359 10 30 CEEERO CCCC(=O)N[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000102401677 261234996 /nfs/dbraw/zinc/23/49/96/261234996.db2.gz CJABVVWGVRPZTP-ZDUSSCGKSA-N 1 0 251.374 2.061 10 30 CEEERO CC[C@@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000370059469 267286995 /nfs/dbraw/zinc/28/69/95/267286995.db2.gz IOYRIRNNBOSGMJ-GXTWGEPZSA-N 1 0 263.385 2.202 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(F)c1 ZINC000398988017 270365249 /nfs/dbraw/zinc/36/52/49/270365249.db2.gz GKQTVGYBBVTFPI-CFVMTHIKSA-N 1 0 274.339 2.290 10 30 CEEERO Cc1nc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)cc1C#N ZINC000261752261 274843095 /nfs/dbraw/zinc/84/30/95/274843095.db2.gz NALJSJCLILSPHC-JKOKRWQUSA-N 1 0 290.798 2.479 10 30 CEEERO N#Cc1cc(Br)cnc1NCC1([NH3+])CCC1 ZINC000261582379 274919182 /nfs/dbraw/zinc/91/91/82/274919182.db2.gz OHUZDUYAGMCUJR-UHFFFAOYSA-N 1 0 281.157 2.009 10 30 CEEERO CC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000118393538 277058295 /nfs/dbraw/zinc/05/82/95/277058295.db2.gz RYEUYVUUYUUFCX-WBMJQRKESA-N 1 0 271.364 2.220 10 30 CEEERO N#Cc1cc(N[C@H](CCC[NH3+])c2ccccc2)ncn1 ZINC000394284862 329110612 /nfs/dbraw/zinc/11/06/12/329110612.db2.gz JDCNSQDFEWTFMD-CQSZACIVSA-N 1 0 267.336 2.240 10 30 CEEERO CCO[C@H]1C[C@H]([NH2+]CCCCC#N)C12CCOCC2 ZINC000186316848 329340823 /nfs/dbraw/zinc/34/08/23/329340823.db2.gz XBPKBUAIUSCLDP-KBPBESRZSA-N 1 0 266.385 2.244 10 30 CEEERO COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2CC2(C)C)c1 ZINC000261971349 329992621 /nfs/dbraw/zinc/99/26/21/329992621.db2.gz DFQVWRJMUOJIGL-GFCCVEGCSA-N 1 0 263.341 2.229 10 30 CEEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CCC[C@H]1C#N ZINC000262348426 330007382 /nfs/dbraw/zinc/00/73/82/330007382.db2.gz DRDQJWBIWMOYMT-NWDGAFQWSA-N 1 0 291.424 2.117 10 30 CEEERO C[NH+]=C(NCc1ccco1)N[C@@H]1COc2ccc(F)cc21 ZINC000262414458 330008846 /nfs/dbraw/zinc/00/88/46/330008846.db2.gz PXFYBNFNQMBGEE-CYBMUJFWSA-N 1 0 289.310 2.217 10 30 CEEERO CC[NH+]=C(NC[C@](C)(O)c1ccc(C)o1)N[C@H]1CC1(C)C ZINC000262424796 330009502 /nfs/dbraw/zinc/00/95/02/330009502.db2.gz QWWYPGCBNZYASP-LRDDRELGSA-N 1 0 293.411 2.149 10 30 CEEERO C[C@H]1CCCN(C(=[NH2+])NCc2ccc3cc[nH]c3n2)C1 ZINC000262383933 330012000 /nfs/dbraw/zinc/01/20/00/330012000.db2.gz PIVCMIUPNXUTIE-NSHDSACASA-N 1 0 271.368 2.110 10 30 CEEERO [NH2+]=C(NCC1(C(F)F)CC1)N[C@@H]1CCOc2ccccc21 ZINC000262504893 330018597 /nfs/dbraw/zinc/01/85/97/330018597.db2.gz ZPRRHWNJCXOWCD-LLVKDONJSA-N 1 0 295.333 2.460 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[C@@H]1C ZINC000262689180 330027389 /nfs/dbraw/zinc/02/73/89/330027389.db2.gz VUGZRBAIKXSXLS-FQUUOJAGSA-N 1 0 281.444 2.401 10 30 CEEERO [NH2+]=C(NC[C@H]1CC12CC2)N[C@@H]1CCOc2ccccc21 ZINC000263141999 330045655 /nfs/dbraw/zinc/04/56/55/330045655.db2.gz OIIFKQMLHSSQRO-DGCLKSJQSA-N 1 0 271.364 2.215 10 30 CEEERO [NH2+]=C(NC[C@H]1CC12CC2)Nc1ccc2c(c1)OCCCO2 ZINC000263148332 330045909 /nfs/dbraw/zinc/04/59/09/330045909.db2.gz PDNHSYLOGNGKJV-LLVKDONJSA-N 1 0 287.363 2.375 10 30 CEEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(F)c(F)c1 ZINC000424068344 330219531 /nfs/dbraw/zinc/21/95/31/330219531.db2.gz ROEXSTPLMQHUDU-ZANVPECISA-N 1 0 281.306 2.163 10 30 CEEERO C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@@H]1[NH+](C)C ZINC000343772916 335218922 /nfs/dbraw/zinc/21/89/22/335218922.db2.gz SXOSUUZXBBCCSK-CJNGLKHVSA-N 1 0 257.381 2.135 10 30 CEEERO CC(C)(C)[NH2+]Cc1ccc(OCC#N)c([N+](=O)[O-])c1 ZINC000062730633 518764530 /nfs/dbraw/zinc/76/45/30/518764530.db2.gz KLFBWVTYOMLQQL-UHFFFAOYSA-N 1 0 263.297 2.385 10 30 CEEERO CC(C)CC[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049614893 519650461 /nfs/dbraw/zinc/65/04/61/519650461.db2.gz ARSSIULVWPLLAY-UHFFFAOYSA-N 1 0 275.392 2.387 10 30 CEEERO C#CC(C)(C)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000070117738 518238814 /nfs/dbraw/zinc/23/88/14/518238814.db2.gz AKSJDPUEFARKGV-NSHDSACASA-N 1 0 265.378 2.153 10 30 CEEERO CC(C)(C)[NH2+]Cc1cc2c(cc1OCC#N)OCO2 ZINC000062733900 518763834 /nfs/dbraw/zinc/76/38/34/518763834.db2.gz HUOZPBKRXARATQ-UHFFFAOYSA-N 1 0 262.309 2.206 10 30 CEEERO CC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC#N)c1 ZINC000050517329 518764032 /nfs/dbraw/zinc/76/40/32/518764032.db2.gz UNUITZLYLNHGSJ-UHFFFAOYSA-N 1 0 263.297 2.385 10 30 CEEERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000049555490 519339992 /nfs/dbraw/zinc/33/99/92/519339992.db2.gz PACONORUCZZCDN-IAGOWNOFSA-N 1 0 289.423 2.158 10 30 CEEERO CC(C)N(CCC#N)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050942711 519641375 /nfs/dbraw/zinc/64/13/75/519641375.db2.gz WAFXBUFYZYHTGY-ZDUSSCGKSA-N 1 0 251.374 2.059 10 30 CEEERO CC(C)[NH2+]C[C@@H]1CCCN(Cc2cccnc2C#N)C1 ZINC000063139882 519723479 /nfs/dbraw/zinc/72/34/79/519723479.db2.gz BCNKHRSVMHXDMV-AWEZNQCLSA-N 1 0 272.396 2.163 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616560 519735664 /nfs/dbraw/zinc/73/56/64/519735664.db2.gz PXNTYVPONPOIQY-GDBMZVCRSA-N 1 0 281.444 2.404 10 30 CEEERO CC[NH2+][C@@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436686 520081637 /nfs/dbraw/zinc/08/16/37/520081637.db2.gz DJIUNTHIXNIPNL-NSHDSACASA-N 1 0 269.352 2.426 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000068613019 520225271 /nfs/dbraw/zinc/22/52/71/520225271.db2.gz KXIDTVWWRAATRQ-DZKIICNBSA-N 1 0 281.444 2.404 10 30 CEEERO CC[NH+](CC)[C@@H]1CCN(C[C@](C#N)(NC(C)C)C2CC2)C1 ZINC000069083271 520846462 /nfs/dbraw/zinc/84/64/62/520846462.db2.gz JHVBHPYIEQIKGR-SJORKVTESA-N 1 0 292.471 2.073 10 30 CEEERO CC[N@@H+](Cc1cccc(C#CCO)c1)C[C@H]1CCCO1 ZINC000049613781 521337594 /nfs/dbraw/zinc/33/75/94/521337594.db2.gz HAUMQNMROWFQTL-QGZVFWFLSA-N 1 0 273.376 2.031 10 30 CEEERO CCC(CC)C(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586426 521498969 /nfs/dbraw/zinc/49/89/69/521498969.db2.gz IHMRGCRUBAWNBW-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CC[C@@H](C)C(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587218 521917613 /nfs/dbraw/zinc/91/76/13/521917613.db2.gz FKXNHQALBCQOEO-OLZOCXBDSA-N 1 0 258.365 2.220 10 30 CEEERO COC[C@H](C)[N@H+](C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049613857 522594563 /nfs/dbraw/zinc/59/45/63/522594563.db2.gz DRRAIJSOMBVYOB-ZDUSSCGKSA-N 1 0 279.355 2.026 10 30 CEEERO CN(CC1CCCCC1)C(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629609 522656516 /nfs/dbraw/zinc/65/65/16/522656516.db2.gz IZODOSKVQADENZ-UHFFFAOYSA-N 1 0 285.391 2.044 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCO1 ZINC000049614106 523203761 /nfs/dbraw/zinc/20/37/61/523203761.db2.gz GIEVVDDREYOVJP-QGZVFWFLSA-N 1 0 273.376 2.031 10 30 CEEERO C[N@H+](Cc1ccc(F)cc1C#CCCO)C1CCOCC1 ZINC000049613297 523253046 /nfs/dbraw/zinc/25/30/46/523253046.db2.gz ATTYJJAZJSOAEQ-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO COCC[N@H+](Cc1ccnc(C#N)c1)[C@@H](C)C1CC1 ZINC000068766401 523769157 /nfs/dbraw/zinc/76/91/57/523769157.db2.gz AXWDFLWJQCTDHY-LBPRGKRZSA-N 1 0 259.353 2.200 10 30 CEEERO CC[C@H](C)[NH+]1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000055070152 523952390 /nfs/dbraw/zinc/95/23/90/523952390.db2.gz UNZLFSIFHJTRMF-IRXDYDNUSA-N 1 0 294.487 2.463 10 30 CEEERO COCC[NH2+]Cc1ccc(OCCCCC#N)cc1 ZINC000062729168 523952790 /nfs/dbraw/zinc/95/27/90/523952790.db2.gz VHZFKOZXAALNKM-UHFFFAOYSA-N 1 0 262.353 2.495 10 30 CEEERO C[C@@H](C[C@](C)(C#N)NC1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613167 524860160 /nfs/dbraw/zinc/86/01/60/524860160.db2.gz KTJFLADIONBBCX-WMLDXEAASA-N 1 0 292.471 2.215 10 30 CEEERO Cc1cc(F)ccc1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629370 524996723 /nfs/dbraw/zinc/99/67/23/524996723.db2.gz JOAVBDIMWZLMGT-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[C@@H]([NH3+])Cc1ccc(OCC#N)c(Br)c1 ZINC000062704737 525000525 /nfs/dbraw/zinc/00/05/25/525000525.db2.gz VVKNYNSYOPNBHE-MRVPVSSYSA-N 1 0 269.142 2.241 10 30 CEEERO C[C@@H](NC(=O)C1CCCC1)c1cccc(C#CC[NH3+])c1 ZINC000049587160 525067968 /nfs/dbraw/zinc/06/79/68/525067968.db2.gz YPSHRQHAGXXWIC-CYBMUJFWSA-N 1 0 270.376 2.364 10 30 CEEERO C[C@H](CC#N)N(C)C(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000063093087 526217276 /nfs/dbraw/zinc/21/72/76/526217276.db2.gz RXYOVPHCBQCWSA-CQSZACIVSA-N 1 0 285.391 2.068 10 30 CEEERO N#CC[C@@H](Sc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000055022888 526480226 /nfs/dbraw/zinc/48/02/26/526480226.db2.gz ZBSXHOBGUANFGV-SNVBAGLBSA-N 1 0 271.349 2.388 10 30 CEEERO N#C[C@H]1CCC[C@@H]1N1CCC(C[NH+]2CCCC2)CC1 ZINC000062052160 526513573 /nfs/dbraw/zinc/51/35/73/526513573.db2.gz RLVBDDLRDRPTBD-CVEARBPZSA-N 1 0 261.413 2.486 10 30 CEEERO N#Cc1ccc(CNC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050945494 526618297 /nfs/dbraw/zinc/61/82/97/526618297.db2.gz VITNFVQJRFWXPW-OAHLLOKOSA-N 1 0 271.364 2.097 10 30 CEEERO N#Cc1cccc(-c2nc([C@H]3CCC[NH2+]C3)no2)c1 ZINC000062256875 526694250 /nfs/dbraw/zinc/69/42/50/526694250.db2.gz XZKJCQPMBRQZHN-LBPRGKRZSA-N 1 0 254.293 2.075 10 30 CEEERO N#Cc1cnc2ccccc2c1OCC1CC[NH2+]CC1 ZINC000051869900 526777858 /nfs/dbraw/zinc/77/78/58/526777858.db2.gz DVRVDMPKOZSSGV-UHFFFAOYSA-N 1 0 267.332 2.485 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)[C@H]2CCCCO2)c1 ZINC000061692030 527150559 /nfs/dbraw/zinc/15/05/59/527150559.db2.gz IBGBODYYAGSSIS-CQSZACIVSA-N 1 0 292.766 2.158 10 30 CEEERO [NH3+]CC#Cc1cccc(C(=O)Nc2nc3c(s2)CCC3)c1 ZINC000049549305 527152451 /nfs/dbraw/zinc/15/24/51/527152451.db2.gz KQHRIWPNVIGSIV-UHFFFAOYSA-N 1 0 297.383 2.194 10 30 CEEERO Cc1ncsc1C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587232 527481597 /nfs/dbraw/zinc/48/15/97/527481597.db2.gz KGMPLOOQRYMEPJ-LLVKDONJSA-N 1 0 299.399 2.253 10 30 CEEERO Cc1cc(NCc2ccc(CC[NH3+])cc2)cc(C#N)n1 ZINC000308239247 623622126 /nfs/dbraw/zinc/62/21/26/623622126.db2.gz KKIILXBIPVCPBH-UHFFFAOYSA-N 1 0 266.348 2.375 10 30 CEEERO N#Cc1ccc(NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000094592357 642513484 /nfs/dbraw/zinc/51/34/84/642513484.db2.gz KHNARGUDMLDPKH-UHFFFAOYSA-N 1 0 260.297 2.148 10 30 CEEERO C=C[C@@H]([NH3+])c1ccc(I)cc1 ZINC000095777926 185027913 /nfs/dbraw/zinc/02/79/13/185027913.db2.gz DAYIYYVPTQAVGB-SECBINFHSA-N 1 0 259.090 2.477 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccc(C)o1)CC(C)C ZINC000036097549 361827144 /nfs/dbraw/zinc/82/71/44/361827144.db2.gz UJQGESKFMXESLR-HNNXBMFYSA-N 1 0 279.380 2.057 10 30 CEEERO C=C[C@@](C)(O)C[N@H+](CC)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036146477 361831473 /nfs/dbraw/zinc/83/14/73/361831473.db2.gz ISKZIRCXSQBNNN-NVXWUHKLSA-N 1 0 288.391 2.439 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040447367 361993799 /nfs/dbraw/zinc/99/37/99/361993799.db2.gz JXQHYWXZUUHXCJ-NEPJUHHUSA-N 1 0 292.379 2.045 10 30 CEEERO C[C@@H](Nc1cccc(C#N)c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000126620977 187252328 /nfs/dbraw/zinc/25/23/28/187252328.db2.gz NRRPFFUGYKSIQI-PWSUYJOCSA-N 1 0 274.324 2.266 10 30 CEEERO C#CCOc1cccc(C[NH2+]C[C@H]2CCCN2CC)c1 ZINC000045946495 362171921 /nfs/dbraw/zinc/17/19/21/362171921.db2.gz QXUYLCAIOQGPMB-MRXNPFEDSA-N 1 0 272.392 2.273 10 30 CEEERO N#Cc1ccc(N2CC[C@H]([NH3+])C2)cc1C(F)(F)F ZINC000050244042 343542658 /nfs/dbraw/zinc/54/26/58/343542658.db2.gz RKSRHVWOJVRLPD-VIFPVBQESA-N 1 0 255.243 2.114 10 30 CEEERO C=CCOc1cccc(CN2CCO[C@@H](C[NH+](C)C)C2)c1 ZINC000128139368 187353470 /nfs/dbraw/zinc/35/34/70/187353470.db2.gz CLCLMVCRTVJUPB-KRWDZBQOSA-N 1 0 290.407 2.014 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC000124860677 344317567 /nfs/dbraw/zinc/31/75/67/344317567.db2.gz NBHHLRLHHVDCNY-NSHDSACASA-N 1 0 260.297 2.020 10 30 CEEERO C[N@H+](CCCSCC=O)CCc1ccccc1 ZINC000165238867 344473652 /nfs/dbraw/zinc/47/36/52/344473652.db2.gz PKHHTFLNYHOQKE-UHFFFAOYSA-N 1 0 251.395 2.483 10 30 CEEERO C[N@H+]1CC=C(CNC(=O)c2ncoc2[C@H]2CCCO2)CC1 ZINC000329216485 530047168 /nfs/dbraw/zinc/04/71/68/530047168.db2.gz ONSCFJYSQLSGAP-GFCCVEGCSA-N 1 0 291.351 2.093 10 30 CEEERO N#Cc1cncc(N[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000401492856 344868387 /nfs/dbraw/zinc/86/83/87/344868387.db2.gz ZLTMSWRDEWNGGT-AWEZNQCLSA-N 1 0 267.336 2.240 10 30 CEEERO C[NH2+]Cc1ccccc1CNc1ccc(C#N)c(C)n1 ZINC000404555190 344881628 /nfs/dbraw/zinc/88/16/28/344881628.db2.gz QFBTZMMUNHKFHC-UHFFFAOYSA-N 1 0 266.348 2.015 10 30 CEEERO C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)CCS1 ZINC000127295486 187295264 /nfs/dbraw/zinc/29/52/64/187295264.db2.gz KAPBCARLYJPGIF-FZMZJTMJSA-N 1 0 262.378 2.029 10 30 CEEERO C[C@@H](C#N)C[NH2+]CCCCCCC[NH2+]C[C@@H](C)C#N ZINC000584651684 344973422 /nfs/dbraw/zinc/97/34/22/344973422.db2.gz CKYLEPHEOONYPN-GJZGRUSLSA-N 1 0 264.417 2.435 10 30 CEEERO N#Cc1ccc(NCCOCCC[NH3+])cc1C(F)(F)F ZINC000600954442 346716261 /nfs/dbraw/zinc/71/62/61/346716261.db2.gz CCDJTCVMLQMRGZ-UHFFFAOYSA-N 1 0 287.285 2.354 10 30 CEEERO C[C@@H]1CC[C@H](Nc2c(C#N)cnc3ccccc32)C[NH2+]1 ZINC000600955420 346716760 /nfs/dbraw/zinc/71/67/60/346716760.db2.gz MFJDUVQOUQIGRY-YPMHNXCESA-N 1 0 266.348 2.081 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000336815859 365858168 /nfs/dbraw/zinc/85/81/68/365858168.db2.gz JIZIESZFEFDORX-JTQLQIEISA-N 1 0 262.313 2.396 10 30 CEEERO C[N@@H+]1CCCC[C@H]1CNc1c(C#N)nnc2ccccc21 ZINC000085920333 179199448 /nfs/dbraw/zinc/19/94/48/179199448.db2.gz ITSBUXHBZNMRFR-LBPRGKRZSA-N 1 0 281.363 2.398 10 30 CEEERO N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000085984780 179211813 /nfs/dbraw/zinc/21/18/13/179211813.db2.gz NAKLPZZGEVMZCQ-SWLSCSKDSA-N 1 0 262.328 2.338 10 30 CEEERO COC(OC)[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086038475 179221168 /nfs/dbraw/zinc/22/11/68/179221168.db2.gz ODFJUIBOIKSEKL-XEBKBJJBSA-N 1 0 274.364 2.207 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)c1ccc(NN)[nH+]c1 ZINC000086113049 179234389 /nfs/dbraw/zinc/23/43/89/179234389.db2.gz UZVULXCKQPBFSC-UHFFFAOYSA-N 1 0 287.710 2.145 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(Br)ccc1C ZINC000086139200 179236928 /nfs/dbraw/zinc/23/69/28/179236928.db2.gz KSPYNZNQTLAHHT-UHFFFAOYSA-N 1 0 283.169 2.472 10 30 CEEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000086673105 179318085 /nfs/dbraw/zinc/31/80/85/179318085.db2.gz RZEGBSLOVSGMJU-GLQYFDAESA-N 1 0 292.404 2.175 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000066224406 362857214 /nfs/dbraw/zinc/85/72/14/362857214.db2.gz DFDMYYYLAVWTCW-UHFFFAOYSA-N 1 0 258.243 2.420 10 30 CEEERO COc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000087824823 179495396 /nfs/dbraw/zinc/49/53/96/179495396.db2.gz GCFYSCKILKBTJG-JKSUJKDBSA-N 1 0 285.391 2.283 10 30 CEEERO N#Cc1c(NC(=O)C2([NH3+])CC2)sc2c1CCCCC2 ZINC000088130882 179553621 /nfs/dbraw/zinc/55/36/21/179553621.db2.gz FECJVTRYQKWFTP-UHFFFAOYSA-N 1 0 275.377 2.318 10 30 CEEERO C#Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000089386980 179778039 /nfs/dbraw/zinc/77/80/39/179778039.db2.gz WNJDNFWNTYIKDE-UKRRQHHQSA-N 1 0 256.349 2.372 10 30 CEEERO N#Cc1cc2c(nc1OC[C@@H]1CCC[C@@H]1C[NH3+])CCC2 ZINC000089538369 179813458 /nfs/dbraw/zinc/81/34/58/179813458.db2.gz QJSARIUEVSOOCZ-OLZOCXBDSA-N 1 0 271.364 2.196 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2CO)c1 ZINC000089505365 179806666 /nfs/dbraw/zinc/80/66/66/179806666.db2.gz JKCMLEJCLXBMQQ-CVEARBPZSA-N 1 0 288.391 2.477 10 30 CEEERO Cc1sc(NC(=O)C[C@@H]2CC[NH2+]C2)c(C#N)c1C ZINC000089747060 179858580 /nfs/dbraw/zinc/85/85/80/179858580.db2.gz QJGNDHHCHPHCOC-JTQLQIEISA-N 1 0 263.366 2.175 10 30 CEEERO CC[C@H]([NH3+])CSCCC(=O)Nc1ccc(C#N)cc1 ZINC000090357088 179975505 /nfs/dbraw/zinc/97/55/05/179975505.db2.gz NFLPSHJRBKHXRL-LBPRGKRZSA-N 1 0 277.393 2.357 10 30 CEEERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1cccc(Cl)c1C#N ZINC000090313361 179956443 /nfs/dbraw/zinc/95/64/43/179956443.db2.gz XAKOJBOTKLSCOB-UHTWSYAYSA-N 1 0 265.744 2.128 10 30 CEEERO N#Cc1ccc(NC(=O)CSCC2C[NH2+]C2)cc1Cl ZINC000090712575 180028531 /nfs/dbraw/zinc/02/85/31/180028531.db2.gz BXDDJSCOHHYAPB-UHFFFAOYSA-N 1 0 295.795 2.103 10 30 CEEERO C[C@H](OCc1ccc(C#CC[NH3+])cc1)C(F)(F)F ZINC000090673668 180021813 /nfs/dbraw/zinc/02/18/13/180021813.db2.gz BPTOBJJBISKLAX-JTQLQIEISA-N 1 0 257.255 2.464 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000091135247 180103665 /nfs/dbraw/zinc/10/36/65/180103665.db2.gz BAHWSKQTJOLRFI-NSHDSACASA-N 1 0 293.367 2.039 10 30 CEEERO CCCC1CCN(C(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091462925 180162003 /nfs/dbraw/zinc/16/20/03/180162003.db2.gz VXAXVRORQAMSSH-UHFFFAOYSA-N 1 0 285.391 2.044 10 30 CEEERO C=CCCC[C@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612731 180207208 /nfs/dbraw/zinc/20/72/08/180207208.db2.gz KXRDOSQHLVGMMV-GJZGRUSLSA-N 1 0 254.418 2.432 10 30 CEEERO C=CCCC[C@@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642795 180213913 /nfs/dbraw/zinc/21/39/13/180213913.db2.gz JALAZMKDDNHYMC-CQSZACIVSA-N 1 0 253.386 2.349 10 30 CEEERO C[C@H]1C[NH+](Cc2ccc(F)cc2C#CCO)C[C@@H]1C ZINC000092087035 180321652 /nfs/dbraw/zinc/32/16/52/180321652.db2.gz CRZWUMMVOFYYHD-STQMWFEESA-N 1 0 261.340 2.257 10 30 CEEERO Cc1sc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)c(C#N)c1C ZINC000092206787 180344119 /nfs/dbraw/zinc/34/41/19/180344119.db2.gz WWUDJAZOYGCLQB-UWVGGRQHSA-N 1 0 261.350 2.079 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000092208404 180344889 /nfs/dbraw/zinc/34/48/89/180344889.db2.gz JQGMAYMIJQEXRE-PSASIEDQSA-N 1 0 295.264 2.419 10 30 CEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cccc(C#N)c1)CC2 ZINC000105873845 186081822 /nfs/dbraw/zinc/08/18/22/186081822.db2.gz DWESRCXSJVUADA-HNNXBMFYSA-N 1 0 295.390 2.378 10 30 CEEERO CC(C)(O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000106386231 186113544 /nfs/dbraw/zinc/11/35/44/186113544.db2.gz XSUYOOIUHXOEMK-UHFFFAOYSA-N 1 0 274.364 2.172 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000092474430 180393837 /nfs/dbraw/zinc/39/38/37/180393837.db2.gz IJIYXYUBFGAHEP-UHFFFAOYSA-N 1 0 274.242 2.141 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(-c2coc(C)n2)cc1 ZINC000092474004 180394225 /nfs/dbraw/zinc/39/42/25/180394225.db2.gz MWKJRNZSPBWQBN-UHFFFAOYSA-N 1 0 271.320 2.364 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000110959860 186336500 /nfs/dbraw/zinc/33/65/00/186336500.db2.gz JJHGZRGHDPPXOX-STQMWFEESA-N 1 0 276.380 2.345 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@@H](C)[NH3+] ZINC000110958426 186336965 /nfs/dbraw/zinc/33/69/65/186336965.db2.gz UUBJZKULSWCNFW-VXGBXAGGSA-N 1 0 262.353 2.084 10 30 CEEERO CC[C@@H]1CN(Cc2sccc2C#CCCO)CC[N@@H+]1C ZINC000110734659 186317494 /nfs/dbraw/zinc/31/74/94/186317494.db2.gz WQGZFHYEQWXWKQ-OAHLLOKOSA-N 1 0 292.448 2.008 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)s1)C[C@H]1CCCOC1 ZINC000111168231 186363279 /nfs/dbraw/zinc/36/32/79/186363279.db2.gz KSACMCWNQSGDMD-CQSZACIVSA-N 1 0 293.432 2.340 10 30 CEEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000111264717 186381326 /nfs/dbraw/zinc/38/13/26/186381326.db2.gz VPSBOIVJXADELR-BXUZGUMPSA-N 1 0 271.364 2.282 10 30 CEEERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000111264720 186381847 /nfs/dbraw/zinc/38/18/47/186381847.db2.gz VPSBOIVJXADELR-SMDDNHRTSA-N 1 0 271.364 2.282 10 30 CEEERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1[NH+](C)C ZINC000123981578 187117014 /nfs/dbraw/zinc/11/70/14/187117014.db2.gz FUAYPHMRJFCCJB-ONGXEEELSA-N 1 0 298.312 2.358 10 30 CEEERO C=CCC[C@@H](C[NH+]1CCSCC1)Oc1ncc(F)cn1 ZINC000072481097 363138599 /nfs/dbraw/zinc/13/85/99/363138599.db2.gz UXQNQPWYZCYYLO-ZDUSSCGKSA-N 1 0 297.399 2.378 10 30 CEEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCSCC#N ZINC000072514825 363140388 /nfs/dbraw/zinc/14/03/88/363140388.db2.gz ZJIGGQAVAGKZSY-IHRRRGAJSA-N 1 0 296.436 2.439 10 30 CEEERO N#Cc1cc(Br)ccc1N1CC[C@H](C[NH3+])C1 ZINC000165299640 283087270 /nfs/dbraw/zinc/08/72/70/283087270.db2.gz MSSXMHVXXUBSFW-SECBINFHSA-N 1 0 280.169 2.106 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H]([NH3+])C1 ZINC000050244073 283092393 /nfs/dbraw/zinc/09/23/93/283092393.db2.gz RXNVKNWKZMPKCX-SNVBAGLBSA-N 1 0 255.243 2.114 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H](C[NH3+])C1CCCC1 ZINC000236161828 283112835 /nfs/dbraw/zinc/11/28/35/283112835.db2.gz OVGFPFOVCXNTKZ-CQSZACIVSA-N 1 0 274.324 2.396 10 30 CEEERO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179468561 189196276 /nfs/dbraw/zinc/19/62/76/189196276.db2.gz KJJFHOHIBNJXPH-INIZCTEOSA-N 1 0 296.374 2.127 10 30 CEEERO CC(C)(C)[NH2+]CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000016473683 361489379 /nfs/dbraw/zinc/48/93/79/361489379.db2.gz UDKQZBFZYQMYRU-UHFFFAOYSA-N 1 0 277.393 2.435 10 30 CEEERO C#CCCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000245581697 370844338 /nfs/dbraw/zinc/84/43/38/370844338.db2.gz HTIQCGPAJMWKTO-GJZGRUSLSA-N 1 0 262.397 2.265 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000246013471 370899886 /nfs/dbraw/zinc/89/98/86/370899886.db2.gz LRSIFOGFCIDANW-QPSCCSFWSA-N 1 0 281.396 2.120 10 30 CEEERO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000246152108 370916791 /nfs/dbraw/zinc/91/67/91/370916791.db2.gz ZWHSHYDGMNVFJT-ZFWWWQNUSA-N 1 0 262.397 2.450 10 30 CEEERO C=CCSCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246478984 370966495 /nfs/dbraw/zinc/96/64/95/370966495.db2.gz VRNLQVFMYRHYLN-KBPBESRZSA-N 1 0 297.468 2.174 10 30 CEEERO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)c(F)c1 ZINC000227597814 370374971 /nfs/dbraw/zinc/37/49/71/370374971.db2.gz RIJSKROUPSWSGS-ZFWWWQNUSA-N 1 0 262.328 2.338 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000247000079 371043623 /nfs/dbraw/zinc/04/36/23/371043623.db2.gz PXUYADNXXGKCKK-SJORKVTESA-N 1 0 297.402 2.451 10 30 CEEERO Cc1nc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c(Cl)cc1C#N ZINC000261598710 371671440 /nfs/dbraw/zinc/67/14/40/371671440.db2.gz PHLSZOOVZNGVAV-ZWNOBZJWSA-N 1 0 276.771 2.103 10 30 CEEERO C#CCNC(=O)CNc1c(C)c(C)[nH+]c2ccccc21 ZINC000302724919 379435613 /nfs/dbraw/zinc/43/56/13/379435613.db2.gz JEDHRIYQUDIRSI-UHFFFAOYSA-N 1 0 267.332 2.013 10 30 CEEERO N#Cc1ccc(NC(=O)OC[C@@H]2CCCC[NH2+]2)cc1 ZINC000092742838 184624328 /nfs/dbraw/zinc/62/43/28/184624328.db2.gz KHJKKHAOXSSVDE-ZDUSSCGKSA-N 1 0 259.309 2.249 10 30 CEEERO C#CCC[NH2+][C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093208559 184655773 /nfs/dbraw/zinc/65/57/73/184655773.db2.gz OYLBMXZZFWBLIF-VXGBXAGGSA-N 1 0 252.358 2.045 10 30 CEEERO CCC[NH2+]Cc1cn(C)nc1-c1cccc(C#N)c1 ZINC000093297090 184661713 /nfs/dbraw/zinc/66/17/13/184661713.db2.gz JOYGWFVMYLSHJO-UHFFFAOYSA-N 1 0 254.337 2.458 10 30 CEEERO C[C@H](NC(=O)c1sccc1C#CC[NH3+])c1nccs1 ZINC000080325625 177641806 /nfs/dbraw/zinc/64/18/06/177641806.db2.gz QFRNBBXGMLDAOK-VIFPVBQESA-N 1 0 291.401 2.006 10 30 CEEERO C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1[NH3+] ZINC000071386188 134486016 /nfs/dbraw/zinc/48/60/16/134486016.db2.gz UZXRPHWJMRLWBX-RISCZKNCSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2c(cc1C#N)CCC2 ZINC000083550662 135030145 /nfs/dbraw/zinc/03/01/45/135030145.db2.gz JDWJBABWJQDSCT-SWLSCSKDSA-N 1 0 282.391 2.115 10 30 CEEERO COC(=O)C1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000305820688 394512872 /nfs/dbraw/zinc/51/28/72/394512872.db2.gz HCXLDKSXGZBWTJ-KPFVRQRISA-N 1 0 250.342 2.000 10 30 CEEERO N#CCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249547535 394557263 /nfs/dbraw/zinc/55/72/63/394557263.db2.gz GQCYOWVMOYYIAF-STQMWFEESA-N 1 0 250.367 2.060 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc(C#N)cn1 ZINC000252662428 394573045 /nfs/dbraw/zinc/57/30/45/394573045.db2.gz YYLDDEPZVJGRAO-JSGCOSHPSA-N 1 0 256.353 2.016 10 30 CEEERO N#Cc1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000261578808 394603337 /nfs/dbraw/zinc/60/33/37/394603337.db2.gz PDBWECMNIJLRDW-FZMZJTMJSA-N 1 0 261.756 2.400 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H](C)C[NH2+]1 ZINC000086471055 394643788 /nfs/dbraw/zinc/64/37/88/394643788.db2.gz MYVUAOFYEAIUDG-RYUDHWBXSA-N 1 0 266.348 2.293 10 30 CEEERO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1[NH+](C)C ZINC000124031832 394835911 /nfs/dbraw/zinc/83/59/11/394835911.db2.gz RXRSPEAMBDBRGV-LRDDRELGSA-N 1 0 284.407 2.218 10 30 CEEERO C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000171662361 395096203 /nfs/dbraw/zinc/09/62/03/395096203.db2.gz QZGOHYJYQQIHIO-MRXNPFEDSA-N 1 0 272.392 2.360 10 30 CEEERO Cc1cc(N2CCC([NH+](C)C)CC2)c(C#N)c(C)n1 ZINC000157396340 395035095 /nfs/dbraw/zinc/03/50/95/395035095.db2.gz SKLVTNFCUPAXIB-UHFFFAOYSA-N 1 0 258.369 2.101 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)cc1 ZINC000398795576 395238219 /nfs/dbraw/zinc/23/82/19/395238219.db2.gz PIDNNEWRBSEMEI-JYJNAYRXSA-N 1 0 256.349 2.151 10 30 CEEERO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cccs1 ZINC000182559818 395245372 /nfs/dbraw/zinc/24/53/72/395245372.db2.gz XCCNIKDYYDEQNS-NSHDSACASA-N 1 0 265.382 2.161 10 30 CEEERO C[C@@H](CC#N)N(C)CC[N@H+](C)Cc1ccc(F)cc1 ZINC000181743366 395221966 /nfs/dbraw/zinc/22/19/66/395221966.db2.gz WWABVGHRHGBAAU-ZDUSSCGKSA-N 1 0 263.360 2.491 10 30 CEEERO C[C@H]([NH2+][C@@H](C)c1cccs1)C(=O)N(C)CCC#N ZINC000192941232 395397117 /nfs/dbraw/zinc/39/71/17/395397117.db2.gz NSHXQAVCIRUDOV-QWRGUYRKSA-N 1 0 265.382 2.159 10 30 CEEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000533540457 395462017 /nfs/dbraw/zinc/46/20/17/395462017.db2.gz SDVNPVVLRDZNCO-DZGCQCFKSA-N 1 0 269.348 2.371 10 30 CEEERO N#Cc1c(Br)cccc1NC[C@@H]1CC[NH2+]C1 ZINC000165084166 162340077 /nfs/dbraw/zinc/34/00/77/162340077.db2.gz XGKBUXZLOBXBLC-SECBINFHSA-N 1 0 280.169 2.342 10 30 CEEERO C[C@@H](Nc1ccc(Br)cc1C#N)[C@H](C)[NH3+] ZINC000261537882 162541026 /nfs/dbraw/zinc/54/10/26/162541026.db2.gz WNWOTWGSYJPPSZ-JGVFFNPUSA-N 1 0 268.158 2.468 10 30 CEEERO CCN(CC)c1ccc(/C=[NH+]/N2CCN(C)CC2)cc1 ZINC000005794899 170141321 /nfs/dbraw/zinc/14/13/21/170141321.db2.gz BXAPLRFBWDXQFJ-SAPNQHFASA-N 1 0 274.412 2.114 10 30 CEEERO Cc1ccc2cc(C=NNC(N)=[NH2+])c(Cl)nc2c1 ZINC000006673013 170224969 /nfs/dbraw/zinc/22/49/69/170224969.db2.gz FFFAPVJRINSBQC-OMCISZLKSA-N 1 0 261.716 2.014 10 30 CEEERO CC(C)Oc1ccc([C@@H](C#N)NCC[NH+](C)C)cc1 ZINC000020176547 171042305 /nfs/dbraw/zinc/04/23/05/171042305.db2.gz XYVQRQKJZDSDRN-OAHLLOKOSA-N 1 0 261.369 2.190 10 30 CEEERO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C#N)cc1Br ZINC000037031080 172898517 /nfs/dbraw/zinc/89/85/17/172898517.db2.gz KVJAUBZKHPDUKH-NSHDSACASA-N 1 0 296.168 2.243 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634082 174359983 /nfs/dbraw/zinc/35/99/83/174359983.db2.gz UOELZBQJPDHMAX-DGCLKSJQSA-N 1 0 292.404 2.280 10 30 CEEERO CC(C)[N@H+](CCCO)CCOc1cccc(C#N)c1 ZINC000042504229 174762255 /nfs/dbraw/zinc/76/22/55/174762255.db2.gz WCMQUJRLPDLDDU-UHFFFAOYSA-N 1 0 262.353 2.030 10 30 CEEERO C[C@@H]([NH3+])[C@H](c1cccc(Cl)c1)N(CC#N)CC#N ZINC000042975124 174938408 /nfs/dbraw/zinc/93/84/08/174938408.db2.gz DLRLRFACGAXXTC-ZWNOBZJWSA-N 1 0 262.744 2.077 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CCC#N)C(C)C ZINC000043348347 175018744 /nfs/dbraw/zinc/01/87/44/175018744.db2.gz NNCXYJAJGNLSDI-LSDHHAIUSA-N 1 0 260.385 2.484 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](C[NH3+])c1cccnc1 ZINC000043349275 175019282 /nfs/dbraw/zinc/01/92/82/175019282.db2.gz YLEMIXPQJOBBFD-HNNXBMFYSA-N 1 0 269.304 2.041 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043349997 175019326 /nfs/dbraw/zinc/01/93/26/175019326.db2.gz IACNVTBZDNGTBS-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355394 175022987 /nfs/dbraw/zinc/02/29/87/175022987.db2.gz SNEPINAENIXPIA-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCN1CCC([NH+](C)C)CC1 ZINC000045311116 175356249 /nfs/dbraw/zinc/35/62/49/175356249.db2.gz HXHVKRBLAUARHQ-INIZCTEOSA-N 1 0 280.460 2.073 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@H+](C)C1CCOCC1 ZINC000045311820 175356323 /nfs/dbraw/zinc/35/63/23/175356323.db2.gz NETXQOBDZBJNCW-HNNXBMFYSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC ZINC000045314222 175357499 /nfs/dbraw/zinc/35/74/99/175357499.db2.gz JATIJMCLUHNAGL-LSDHHAIUSA-N 1 0 269.433 2.405 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C ZINC000045317536 175357966 /nfs/dbraw/zinc/35/79/66/175357966.db2.gz JMJDISCYICTKDI-HNNXBMFYSA-N 1 0 267.417 2.158 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318454 175358902 /nfs/dbraw/zinc/35/89/02/175358902.db2.gz YHOJBEUICGLGCJ-KRWDZBQOSA-N 1 0 294.487 2.463 10 30 CEEERO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(C#N)cc2)C1=O ZINC000071041578 176028197 /nfs/dbraw/zinc/02/81/97/176028197.db2.gz UQJMDYBIILZUAD-HNNXBMFYSA-N 1 0 271.364 2.047 10 30 CEEERO CC(C)[NH2+][C@H]1CCCN(c2ccc(CC#N)cc2)C1=O ZINC000071041485 176028265 /nfs/dbraw/zinc/02/82/65/176028265.db2.gz QOKYSHIKKNMUJR-HNNXBMFYSA-N 1 0 271.364 2.246 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1cccs1)N(CCC#N)CCOC ZINC000071222517 176087958 /nfs/dbraw/zinc/08/79/58/176087958.db2.gz GCXPFHYODXMGDR-GXTWGEPZSA-N 1 0 281.425 2.389 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000071264381 176098035 /nfs/dbraw/zinc/09/80/35/176098035.db2.gz ONXQOWAGDQJIGV-HNNXBMFYSA-N 1 0 261.344 2.271 10 30 CEEERO CN(c1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000071311765 176118903 /nfs/dbraw/zinc/11/89/03/176118903.db2.gz JZILRGGFMYOYKW-LLVKDONJSA-N 1 0 269.270 2.375 10 30 CEEERO CCC(CC)C(=O)NCc1cc(C#CC[NH3+])cs1 ZINC000071322565 176122811 /nfs/dbraw/zinc/12/28/11/176122811.db2.gz CLSQOGUIFIMKHE-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccccc2F)s1 ZINC000071322954 176123612 /nfs/dbraw/zinc/12/36/12/176123612.db2.gz WGWNFPNHRXLCKJ-UHFFFAOYSA-N 1 0 288.347 2.127 10 30 CEEERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1C#N ZINC000071390138 176148285 /nfs/dbraw/zinc/14/82/85/176148285.db2.gz PHQULNAYFATADP-CYBMUJFWSA-N 1 0 280.375 2.494 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2C)[C@@H]1C#N ZINC000071678179 176242963 /nfs/dbraw/zinc/24/29/63/176242963.db2.gz GNGBYZJAXCRBQD-AWEZNQCLSA-N 1 0 271.364 2.357 10 30 CEEERO C[NH+](C)CCN1C(=O)c2ccc(C(F)(F)F)cc2C1C#N ZINC000071680926 176244700 /nfs/dbraw/zinc/24/47/00/176244700.db2.gz XZBYRHIHGOWSMK-GFCCVEGCSA-N 1 0 297.280 2.287 10 30 CEEERO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000249258571 261248300 /nfs/dbraw/zinc/24/83/00/261248300.db2.gz HAGNRSBLDNCRHF-HOCLYGCPSA-N 1 0 282.428 2.158 10 30 CEEERO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000249414060 261252406 /nfs/dbraw/zinc/25/24/06/261252406.db2.gz YPYGBVHWWPDGBO-SQWLQELKSA-N 1 0 282.428 2.060 10 30 CEEERO Cc1ccccc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000123189960 268005513 /nfs/dbraw/zinc/00/55/13/268005513.db2.gz BEGOIELYDUKUFR-SUMWQHHRSA-N 1 0 285.391 2.454 10 30 CEEERO C[NH+](C)[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078835775 273817893 /nfs/dbraw/zinc/81/78/93/273817893.db2.gz LQCQBHFAIMBHMF-JTQLQIEISA-N 1 0 284.285 2.112 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000229605501 274630845 /nfs/dbraw/zinc/63/08/45/274630845.db2.gz NCLKPBJEKIASKL-SKDRFNHKSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1cnc2ccccc2c1NC[C@@H]1CCC[NH2+]1 ZINC000053255395 274930580 /nfs/dbraw/zinc/93/05/80/274930580.db2.gz YSUYFMVWPYTHJU-LBPRGKRZSA-N 1 0 252.321 2.270 10 30 CEEERO C[NH2+][C@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000053204955 277300300 /nfs/dbraw/zinc/30/03/00/277300300.db2.gz LXYJXNOHHDKHKH-ZDUSSCGKSA-N 1 0 266.348 2.295 10 30 CEEERO COc1cc2c(cc1OC)C(=O)/C(=C/C1CC[NH2+]CC1)C2 ZINC000100045487 277852744 /nfs/dbraw/zinc/85/27/44/277852744.db2.gz MDJVFLZZPSQKFM-NTUHNPAUSA-N 1 0 287.359 2.369 10 30 CEEERO C[C@@H]1CCN(c2nccc(C#N)c2Cl)C[C@@H]1C[NH3+] ZINC000235384054 278559531 /nfs/dbraw/zinc/55/95/31/278559531.db2.gz YOQNZWFLJVBLPX-KOLCDFICSA-N 1 0 264.760 2.028 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000085920926 279394179 /nfs/dbraw/zinc/39/41/79/279394179.db2.gz GJTBWUWXWJQOMG-NSHDSACASA-N 1 0 281.363 2.065 10 30 CEEERO C[C@H]1CN(c2nc(C(F)(F)F)ccc2C#N)CC[C@@H]1[NH3+] ZINC000094342481 279887527 /nfs/dbraw/zinc/88/75/27/279887527.db2.gz QKSPHMHDMYMPEY-WPRPVWTQSA-N 1 0 284.285 2.146 10 30 CEEERO CC1(C)CN(C(=O)NCC2CCC(C#N)CC2)CC[C@@H]1[NH3+] ZINC000334930700 281171580 /nfs/dbraw/zinc/17/15/80/281171580.db2.gz CFWXYAHFNPYKCO-RUXDESIVSA-N 1 0 292.427 2.085 10 30 CEEERO N#Cc1cc(F)c(N2CCCC[C@@H]2C[NH3+])c(F)c1 ZINC000133669058 303181853 /nfs/dbraw/zinc/18/18/53/303181853.db2.gz LSKIZOLGNUZDEX-SNVBAGLBSA-N 1 0 251.280 2.154 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382480736 321840311 /nfs/dbraw/zinc/84/03/11/321840311.db2.gz WLZWHAKDSNDXGS-KOLCDFICSA-N 1 0 260.297 2.006 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382462505 321840493 /nfs/dbraw/zinc/84/04/93/321840493.db2.gz XEFGQWRJRMYLEW-LDYMZIIASA-N 1 0 295.184 2.255 10 30 CEEERO CN(C)C(=[NH+]CC1(C(F)(F)F)CCC1)N(C)C ZINC000262479837 330016673 /nfs/dbraw/zinc/01/66/73/330016673.db2.gz CURODDHWLCPSOP-UHFFFAOYSA-N 1 0 251.296 2.198 10 30 CEEERO C=CCNC(=[NH2+])N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1 ZINC000262697037 330027898 /nfs/dbraw/zinc/02/78/98/330027898.db2.gz FBMFXCNVAOUMGX-MJHDQNEOSA-N 1 0 265.307 2.301 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H](CC(C)C)C1 ZINC000262810492 330033337 /nfs/dbraw/zinc/03/33/37/330033337.db2.gz VAYLBJAFPREGNN-KKUMJFAQSA-N 1 0 281.444 2.091 10 30 CEEERO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2CC23CC3)c1 ZINC000263048324 330040521 /nfs/dbraw/zinc/04/05/21/330040521.db2.gz DFKPZWVNGFGLIV-JTQLQIEISA-N 1 0 275.352 2.231 10 30 CEEERO COc1nccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)n1 ZINC000263076781 330042352 /nfs/dbraw/zinc/04/23/52/330042352.db2.gz HFSOCWSTMYKFRK-UHFFFAOYSA-N 1 0 285.351 2.029 10 30 CEEERO CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424083616 330222470 /nfs/dbraw/zinc/22/24/70/330222470.db2.gz NFBJBKDYBYOALD-KGLIPLIRSA-N 1 0 259.353 2.275 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000185601631 333144640 /nfs/dbraw/zinc/14/46/40/333144640.db2.gz QJAZGQCMHAPMPY-LSDHHAIUSA-N 1 0 282.428 2.158 10 30 CEEERO C=C(C)COCC[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000186420804 333160351 /nfs/dbraw/zinc/16/03/51/333160351.db2.gz ORXTXFKXOHDSCJ-GJZGRUSLSA-N 1 0 283.412 2.143 10 30 CEEERO C=C1CC[NH+](CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000382489116 336091658 /nfs/dbraw/zinc/09/16/58/336091658.db2.gz YXTZQZTZEKCQSC-UHFFFAOYSA-N 1 0 281.396 2.123 10 30 CEEERO CCC[C@H](C)C(=O)NCc1cc(C#CC[NH3+])ccc1F ZINC000049586995 521002296 /nfs/dbraw/zinc/00/22/96/521002296.db2.gz VNFYDJCHHQUVSM-LBPRGKRZSA-N 1 0 276.355 2.188 10 30 CEEERO C#CCOc1ccccc1CN[C@@H](C)CC[NH+](C)C ZINC000049553583 518333696 /nfs/dbraw/zinc/33/36/96/518333696.db2.gz OOPKIMIAOQTWSG-AWEZNQCLSA-N 1 0 260.381 2.128 10 30 CEEERO C=C(C)COc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000062734001 518611059 /nfs/dbraw/zinc/61/10/59/518611059.db2.gz UFFQHWXPCVJHNO-UHFFFAOYSA-N 1 0 279.336 2.106 10 30 CEEERO C=CCN(CC=C)CC1(C[NH2+]CCC)CCOCC1 ZINC000052181529 518768190 /nfs/dbraw/zinc/76/81/90/518768190.db2.gz UTALAFGMXJBKDS-UHFFFAOYSA-N 1 0 266.429 2.457 10 30 CEEERO CC[NH2+]C[C@@H](C)C(=O)Nc1cc(Cl)ccc1C#N ZINC000061231186 519939273 /nfs/dbraw/zinc/93/92/73/519939273.db2.gz UZMURHIKVDPSJT-SECBINFHSA-N 1 0 265.744 2.396 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616481 520103432 /nfs/dbraw/zinc/10/34/32/520103432.db2.gz ZSEPJFLSRDIDDK-PMPSAXMXSA-N 1 0 281.444 2.405 10 30 CEEERO CC[NH2+][C@H](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000061269267 520163462 /nfs/dbraw/zinc/16/34/62/520163462.db2.gz VJKAPCXLLNWAAR-CYBMUJFWSA-N 1 0 259.353 2.321 10 30 CEEERO CCCCN(C(=O)c1ccccc1C#CC[NH3+])C1CC1 ZINC000048997016 520361031 /nfs/dbraw/zinc/36/10/31/520361031.db2.gz CNYNYPZFMZNERC-UHFFFAOYSA-N 1 0 270.376 2.402 10 30 CEEERO CC[NH+](CC)Cc1cc(C#CCCO)ccc1OC ZINC000049615649 520740328 /nfs/dbraw/zinc/74/03/28/520740328.db2.gz GDHWPYPENYOPBX-UHFFFAOYSA-N 1 0 261.365 2.271 10 30 CEEERO CC[N@@H+](Cc1ccc(C#CCO)cc1F)C[C@H]1CCCO1 ZINC000049613777 521298683 /nfs/dbraw/zinc/29/86/83/521298683.db2.gz INHZKFOUKNFDPV-MRXNPFEDSA-N 1 0 291.366 2.170 10 30 CEEERO CCN(Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757698 521413745 /nfs/dbraw/zinc/41/37/45/521413745.db2.gz DTTXOQOUMGTVKU-MZBDJJRSSA-N 1 0 270.380 2.058 10 30 CEEERO CC[C@H](C)[C@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000049105835 521931590 /nfs/dbraw/zinc/93/15/90/521931590.db2.gz KRKBSCSMANGXJV-RYUDHWBXSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@H]([NH3+])[C@](O)(c1cccc(C#N)c1)C(F)(F)F ZINC000062784331 522346325 /nfs/dbraw/zinc/34/63/25/522346325.db2.gz UMROIKADTLJMGZ-WDEREUQCSA-N 1 0 258.243 2.045 10 30 CEEERO CC[C@H]1CCC[N@@H+]1Cc1cc(C#CCO)ccc1OC ZINC000049615143 523107932 /nfs/dbraw/zinc/10/79/32/523107932.db2.gz FWDRSUAHZVOMFE-INIZCTEOSA-N 1 0 273.376 2.413 10 30 CEEERO CC[C@H]1CCC[C@H](NC(=O)c2ccc(C#CC[NH3+])cn2)C1 ZINC000068594053 523140667 /nfs/dbraw/zinc/14/06/67/523140667.db2.gz ZTBBYTCGQXCFHH-ZFWWWQNUSA-N 1 0 285.391 2.090 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])cc1)C(=O)c1cccs1 ZINC000049586599 523202960 /nfs/dbraw/zinc/20/29/60/523202960.db2.gz ACWNQXYCYXEPOD-UHFFFAOYSA-N 1 0 284.384 2.331 10 30 CEEERO COCCC[N@H+](CCOC)[C@@H](C)C[C@@](C)(C#N)NC(C)C ZINC000068612900 523259408 /nfs/dbraw/zinc/25/94/08/523259408.db2.gz OKYGUHQLQKMQKE-HOTGVXAUSA-N 1 0 299.459 2.030 10 30 CEEERO CC[C@@H]1CCC[C@H](NC(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000068594058 523304936 /nfs/dbraw/zinc/30/49/36/523304936.db2.gz FWUUZCZJJDKMDO-CJNGLKHVSA-N 1 0 285.391 2.090 10 30 CEEERO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049614691 523344253 /nfs/dbraw/zinc/34/42/53/523344253.db2.gz HZUHFPKLXXNWKH-YOEHRIQHSA-N 1 0 273.376 2.030 10 30 CEEERO CN(Cc1ccccn1)Cc1ccccc1C#CC[NH3+] ZINC000049609241 523396364 /nfs/dbraw/zinc/39/63/64/523396364.db2.gz FBTXORGTDGRYBM-UHFFFAOYSA-N 1 0 265.360 2.024 10 30 CEEERO COc1ccc(C#CCO)cc1C[NH+]1CCCCC1 ZINC000049616747 523516649 /nfs/dbraw/zinc/51/66/49/523516649.db2.gz DQWHZVGXHIXCNJ-UHFFFAOYSA-N 1 0 259.349 2.025 10 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298.411 2.419 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000050436700 526005050 /nfs/dbraw/zinc/00/50/50/526005050.db2.gz XGCWEMNBXMVFRW-UHFFFAOYSA-N 1 0 295.367 2.491 10 30 CEEERO N#Cc1cc2c(nc1N1CCCC[C@@H]1CC[NH3+])CCC2 ZINC000070150319 526579160 /nfs/dbraw/zinc/57/91/60/526579160.db2.gz SPMJGWWOBXXYJO-CQSZACIVSA-N 1 0 270.380 2.150 10 30 CEEERO N#Cc1cccc(-c2nnc(CCC[NH2+]C3CC3)o2)c1 ZINC000050617616 526694352 /nfs/dbraw/zinc/69/43/52/526694352.db2.gz MNTWNQZYOLFUMA-UHFFFAOYSA-N 1 0 268.320 2.293 10 30 CEEERO N#Cc1ccccc1Cn1ccnc1C[NH2+]C1CC1 ZINC000051015096 526738867 /nfs/dbraw/zinc/73/88/67/526738867.db2.gz ZCWYGZIXOZOJMG-UHFFFAOYSA-N 1 0 252.321 2.055 10 30 CEEERO [NH3+]CC#Cc1ccc(COCc2ccco2)c(F)c1 ZINC000049610365 527150038 /nfs/dbraw/zinc/15/00/38/527150038.db2.gz XHYLCZJXWPHPJQ-UHFFFAOYSA-N 1 0 259.280 2.446 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000220935403 624540052 /nfs/dbraw/zinc/54/00/52/624540052.db2.gz USSVKFHPDNWJHS-IAGOWNOFSA-N 1 0 287.407 2.008 10 30 CEEERO C#CCCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000119994439 646971543 /nfs/dbraw/zinc/97/15/43/646971543.db2.gz FFIIZMWYINSPSP-KBPBESRZSA-N 1 0 250.386 2.025 10 30 CEEERO C#C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000123113687 648796001 /nfs/dbraw/zinc/79/60/01/648796001.db2.gz OIXACPIGYRHORQ-MNOVXSKESA-N 1 0 263.337 2.385 10 30 CEEERO CN(CCCCCC[NH+]1CCCCC1)C(=O)CC#N ZINC000082255018 177928133 /nfs/dbraw/zinc/92/81/33/177928133.db2.gz KGUFKSJEVHNVEB-UHFFFAOYSA-N 1 0 265.401 2.405 10 30 CEEERO C=CCC[C@H](O)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000125060754 187168023 /nfs/dbraw/zinc/16/80/23/187168023.db2.gz FITLPBPEMBTWDJ-INIZCTEOSA-N 1 0 277.412 2.410 10 30 CEEERO NC(=[NH2+])NN=Cc1ccc(Oc2ccccc2)cc1 ZINC000006116045 343355877 /nfs/dbraw/zinc/35/58/77/343355877.db2.gz UYGCZCDFUWVUHR-LICLKQGHSA-N 1 0 254.293 2.086 10 30 CEEERO CC[NH2+]CC#CCCC(=O)[C@@](O)(c1ccccc1)C1CC1 ZINC000013825125 343367283 /nfs/dbraw/zinc/36/72/83/343367283.db2.gz LTDDEAYUWSDABD-GOSISDBHSA-N 1 0 285.387 2.246 10 30 CEEERO C#C[C@@H]([NH2+]C)c1csc(I)c1 ZINC000130098507 344349936 /nfs/dbraw/zinc/34/99/36/344349936.db2.gz YMRHHJCLERWFEM-SSDOTTSWSA-N 1 0 277.130 2.246 10 30 CEEERO CCc1nnc(N2CC[C@@H]([NH3+])[C@H](CC)C2)c(C#N)c1CC ZINC000123040589 344308845 /nfs/dbraw/zinc/30/88/45/344308845.db2.gz QZLUPBHXZQTQHC-BXUZGUMPSA-N 1 0 287.411 2.037 10 30 CEEERO Cc1cc(C)c(C#N)c(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000050163778 362407215 /nfs/dbraw/zinc/40/72/15/362407215.db2.gz QNNANMDKWKBDFL-CHWSQXEVSA-N 1 0 258.369 2.370 10 30 CEEERO C[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163724 362407282 /nfs/dbraw/zinc/40/72/82/362407282.db2.gz PWKTWGQDIYQLFN-PWSUYJOCSA-N 1 0 274.324 2.266 10 30 CEEERO CC[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@H]1[NH3+] ZINC000251779330 344637373 /nfs/dbraw/zinc/63/73/73/344637373.db2.gz MZHXBCFYTRICHS-SWLSCSKDSA-N 1 0 284.407 2.396 10 30 CEEERO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000328628556 344756566 /nfs/dbraw/zinc/75/65/66/344756566.db2.gz NVXCQLCRRWWXAZ-ZIAGYGMSSA-N 1 0 290.411 2.276 10 30 CEEERO Brc1ccsc1C#C[C@@H]1CC[NH2+]C1 ZINC000404655763 344882227 /nfs/dbraw/zinc/88/22/27/344882227.db2.gz UAQVPMNERAZKCQ-MRVPVSSYSA-N 1 0 256.168 2.472 10 30 CEEERO COc1ccc([C@](C#N)(CC#CC[NH3+])C(C)C)cc1OC ZINC000584594537 344961456 /nfs/dbraw/zinc/96/14/56/344961456.db2.gz LNXJFUWTABNGSZ-KRWDZBQOSA-N 1 0 286.375 2.473 10 30 CEEERO C[C@@H]1COC[C@H](C)[N@H+]1CCCOc1cccc(C#N)c1 ZINC000156495804 232236903 /nfs/dbraw/zinc/23/69/03/232236903.db2.gz PICCZTTYUDBWJE-OKILXGFUSA-N 1 0 274.364 2.436 10 30 CEEERO C[NH2+]C[C@H](C)Nc1cccc(Br)c1C#N ZINC000596033294 345926573 /nfs/dbraw/zinc/92/65/73/345926573.db2.gz SYJZENMEQYYYED-QMMMGPOBSA-N 1 0 268.158 2.341 10 30 CEEERO N#Cc1cc(N2CCCCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000600959479 346718561 /nfs/dbraw/zinc/71/85/61/346718561.db2.gz XVEAUXMMUWFZAQ-GFCCVEGCSA-N 1 0 274.324 2.174 10 30 CEEERO Cc1cc(C)c(C#N)c(N[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000600963321 346720550 /nfs/dbraw/zinc/72/05/50/346720550.db2.gz UYFCINUZJYNHCU-JOCQHMNTSA-N 1 0 258.369 2.500 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000336815936 365858261 /nfs/dbraw/zinc/85/82/61/365858261.db2.gz JTOSMHUJVBLGLU-SNVBAGLBSA-N 1 0 262.313 2.396 10 30 CEEERO N#CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000085979818 179209441 /nfs/dbraw/zinc/20/94/41/179209441.db2.gz VOJIOKHKTRDQFP-GDBMZVCRSA-N 1 0 274.364 2.230 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000086081159 179227603 /nfs/dbraw/zinc/22/76/03/179227603.db2.gz MOSXLJYNVCAXKW-LOWVWBTDSA-N 1 0 276.405 2.223 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2ccccc2C#CC[NH3+])CC[C@@H]1C ZINC000086081129 179227438 /nfs/dbraw/zinc/22/74/38/179227438.db2.gz UTDYKKDSNZYXRF-WOSRLPQWSA-N 1 0 270.376 2.161 10 30 CEEERO C[C@@H](Cn1cccn1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037113 179221373 /nfs/dbraw/zinc/22/13/73/179221373.db2.gz QWOKBZCDQFLZJC-OOHWJJMZSA-N 1 0 280.375 2.485 10 30 CEEERO C#CCCN1C[C@@H](C2CC2)[NH2+]C[C@@H]1c1ccccc1 ZINC000086266914 179262178 /nfs/dbraw/zinc/26/21/78/179262178.db2.gz IXHUVNGBBSVWIB-DLBZAZTESA-N 1 0 254.377 2.435 10 30 CEEERO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)c1ccc(C#N)cc1 ZINC000086447500 179295531 /nfs/dbraw/zinc/29/55/31/179295531.db2.gz FGJLZMHHOGXZGT-LSDHHAIUSA-N 1 0 271.364 2.161 10 30 CEEERO COc1cccc(N[C@@]2(C#N)CCC[N@H+](C)CC2)c1 ZINC000086819704 179348038 /nfs/dbraw/zinc/34/80/38/179348038.db2.gz VHJCSIAXKXWUKH-HNNXBMFYSA-N 1 0 259.353 2.485 10 30 CEEERO CCC(O)(CC)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000087015574 179379984 /nfs/dbraw/zinc/37/99/84/179379984.db2.gz HXJGHGQRAUCRJJ-UHFFFAOYSA-N 1 0 262.353 2.230 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@H](C[NH3+])C1CC1 ZINC000087384370 179418750 /nfs/dbraw/zinc/41/87/50/179418750.db2.gz XJZMCMIOROVTDQ-CQSZACIVSA-N 1 0 252.321 2.256 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1C ZINC000087748157 179480882 /nfs/dbraw/zinc/48/08/82/179480882.db2.gz JGZSJXKCJWASQC-OCCSQVGLSA-N 1 0 272.392 2.470 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000089505073 179806686 /nfs/dbraw/zinc/80/66/86/179806686.db2.gz VFWDJDGNKXJKNG-JKSUJKDBSA-N 1 0 258.365 2.447 10 30 CEEERO [NH2+]=C(NC[C@H]1CCCC[C@H]1CO)NC1CCCCC1 ZINC000091365591 180142634 /nfs/dbraw/zinc/14/26/34/180142634.db2.gz BLHUQCKPYOXGNJ-OLZOCXBDSA-N 1 0 267.417 2.022 10 30 CEEERO C[NH2+]CC1CC(Oc2c(C#N)cnc3ccccc32)C1 ZINC000091477808 180166307 /nfs/dbraw/zinc/16/63/07/180166307.db2.gz IQACNCDFMRUXOA-UHFFFAOYSA-N 1 0 267.332 2.483 10 30 CEEERO CSC1(C#N)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000091477460 180166416 /nfs/dbraw/zinc/16/64/16/180166416.db2.gz VATHYZLELPOTDZ-CQSZACIVSA-N 1 0 276.405 2.441 10 30 CEEERO C=C(CC)C[C@@H]([NH2+]CC)C(C)(C)N1CCOCC1 ZINC000091567003 180195097 /nfs/dbraw/zinc/19/50/97/180195097.db2.gz RTSKFIIMFJKACZ-CQSZACIVSA-N 1 0 254.418 2.432 10 30 CEEERO C=CCC[C@@H]([NH2+]CCC)C(C)(C)N1CCOCC1 ZINC000091567191 180195152 /nfs/dbraw/zinc/19/51/52/180195152.db2.gz ASBWOGRPSHRPEH-CQSZACIVSA-N 1 0 254.418 2.432 10 30 CEEERO Cc1cc(F)cc(NC(=O)c2ccncc2C#CC[NH3+])c1 ZINC000091517630 180177627 /nfs/dbraw/zinc/17/76/27/180177627.db2.gz LGPXSTBZWOSJEN-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO Cc1sc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c(C#N)c1C ZINC000091542479 180184244 /nfs/dbraw/zinc/18/42/44/180184244.db2.gz ODIZOTXKUNPTDJ-UWVGGRQHSA-N 1 0 263.366 2.303 10 30 CEEERO CC#CC[C@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646353 180215419 /nfs/dbraw/zinc/21/54/19/180215419.db2.gz JDMZARRORQKTBU-INIZCTEOSA-N 1 0 278.440 2.413 10 30 CEEERO N#CC[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000091667985 180224397 /nfs/dbraw/zinc/22/43/97/180224397.db2.gz RYTCVHOYJMBNQO-IKGGRYGDSA-N 1 0 285.391 2.094 10 30 CEEERO N#Cc1cc(Cn2ccc([C@H]([NH3+])C3CC3)c2)ccn1 ZINC000091834932 180266717 /nfs/dbraw/zinc/26/67/17/180266717.db2.gz TZZSFBHMKDCQMI-OAHLLOKOSA-N 1 0 252.321 2.213 10 30 CEEERO CN(c1nc2c(cc1C#N)CCC2)C1CCC([NH3+])CC1 ZINC000091848168 180270966 /nfs/dbraw/zinc/27/09/66/180270966.db2.gz PEWPJQUHAGGCSQ-UHFFFAOYSA-N 1 0 270.380 2.148 10 30 CEEERO C=CCCOc1ccc(C)nc1C[NH2+]CCOC ZINC000091996706 180302304 /nfs/dbraw/zinc/30/23/04/180302304.db2.gz OXOVYXVBGIMXSS-UHFFFAOYSA-N 1 0 250.342 2.081 10 30 CEEERO COc1ccc(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1C#CCO ZINC000092087099 180321131 /nfs/dbraw/zinc/32/11/31/180321131.db2.gz CEDQRZAZNKQENP-ZIAGYGMSSA-N 1 0 273.376 2.127 10 30 CEEERO C[C@@H]1C[NH+](CCOc2ccc(C#CCCO)cc2)C[C@H]1C ZINC000092087057 180321609 /nfs/dbraw/zinc/32/16/09/180321609.db2.gz IZNMHCSMNLWGIE-HZPDHXFCSA-N 1 0 287.403 2.387 10 30 CEEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](CCCCC#N)C2)n1 ZINC000105885545 186083739 /nfs/dbraw/zinc/08/37/39/186083739.db2.gz KJJQOMPGXMNBQV-HNNXBMFYSA-N 1 0 275.400 2.301 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000092475005 180393861 /nfs/dbraw/zinc/39/38/61/180393861.db2.gz RSJGMXZIRWRAQM-AWEZNQCLSA-N 1 0 294.782 2.016 10 30 CEEERO [NH3+]CC#Cc1csc(COc2ccccc2CO)c1 ZINC000110994479 186340920 /nfs/dbraw/zinc/34/09/20/186340920.db2.gz BIRROYGJUYDPIK-UHFFFAOYSA-N 1 0 273.357 2.130 10 30 CEEERO CN1CC[N@H+](Cc2sccc2C#CCCO)CC1(C)C ZINC000110734795 186317107 /nfs/dbraw/zinc/31/71/07/186317107.db2.gz HNCKPDKBVHVWEQ-UHFFFAOYSA-N 1 0 292.448 2.008 10 30 CEEERO N#Cc1cc(F)ccc1N1C[C@@H]2C[C@H]([NH3+])CC[C@@H]2C1 ZINC000111027129 186346328 /nfs/dbraw/zinc/34/63/28/186346328.db2.gz XIBGRUFRRQIQSU-SCDSUCTJSA-N 1 0 259.328 2.261 10 30 CEEERO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000147747914 539807123 /nfs/dbraw/zinc/80/71/23/539807123.db2.gz NISCTLIJYHHWHM-OAHLLOKOSA-N 1 0 294.420 2.356 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)cc1)CC1CCOCC1 ZINC000111168396 186364327 /nfs/dbraw/zinc/36/43/27/186364327.db2.gz MAKAOJRGDYEPCG-UHFFFAOYSA-N 1 0 287.403 2.279 10 30 CEEERO C#Cc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000111243312 186374343 /nfs/dbraw/zinc/37/43/43/186374343.db2.gz GCGOPYJEKWVOQA-CYBMUJFWSA-N 1 0 282.265 2.148 10 30 CEEERO C[C@@H]1CCCC[C@@H]1NC(=O)c1sccc1C#CC[NH3+] ZINC000111540261 186426829 /nfs/dbraw/zinc/42/68/29/186426829.db2.gz RLYOTNLOYFHMEL-YPMHNXCESA-N 1 0 276.405 2.367 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000070174863 363048861 /nfs/dbraw/zinc/04/88/61/363048861.db2.gz WFLBZRHGCLGBBI-CMPLNLGQSA-N 1 0 274.324 2.030 10 30 CEEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1ccnc(C)n1 ZINC000072479144 363138626 /nfs/dbraw/zinc/13/86/26/363138626.db2.gz JGUUSYZIGBYDGF-OAHLLOKOSA-N 1 0 291.395 2.221 10 30 CEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)C1 ZINC000675059405 540079527 /nfs/dbraw/zinc/07/95/27/540079527.db2.gz HKXCEQURFMXABB-IHRRRGAJSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000228550136 283097499 /nfs/dbraw/zinc/09/74/99/283097499.db2.gz KQBFDFLTYAXMCU-MISXGVKJSA-N 1 0 277.318 2.400 10 30 CEEERO N#Cc1cc2c(nc1N1CCC[C@H](CC[NH3+])C1)CCCC2 ZINC000070171240 283116172 /nfs/dbraw/zinc/11/61/72/283116172.db2.gz WJJNKISAGIVBMR-CYBMUJFWSA-N 1 0 284.407 2.397 10 30 CEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000105801985 283146838 /nfs/dbraw/zinc/14/68/38/283146838.db2.gz NITFRHAOQHCAHA-MRXNPFEDSA-N 1 0 293.374 2.107 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1nc2c(cc1C#N)CCCC2 ZINC000216227382 540402105 /nfs/dbraw/zinc/40/21/05/540402105.db2.gz BLMIRMSAJULAKY-RYUDHWBXSA-N 1 0 270.380 2.006 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)s1 ZINC000135693387 366468530 /nfs/dbraw/zinc/46/85/30/366468530.db2.gz ZSOCKRWHVLXMMP-GWCFXTLKSA-N 1 0 250.367 2.260 10 30 CEEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000180125324 189238317 /nfs/dbraw/zinc/23/83/17/189238317.db2.gz TYDYECGLPYHCJP-ZDUSSCGKSA-N 1 0 270.336 2.321 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncccc1C#N ZINC000083704208 363784963 /nfs/dbraw/zinc/78/49/63/363784963.db2.gz KKSNOYOWHJATRC-TZMCWYRMSA-N 1 0 256.353 2.016 10 30 CEEERO C#CC[NH2+][C@H](C)Cc1cccc(OC(=O)N(C)CC)c1 ZINC000013492335 361429593 /nfs/dbraw/zinc/42/95/93/361429593.db2.gz RLJGNKUWFSRASJ-CYBMUJFWSA-N 1 0 274.364 2.291 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094447219 364275203 /nfs/dbraw/zinc/27/52/03/364275203.db2.gz VJUKUWNMYQHWCW-UONOGXRCSA-N 1 0 277.412 2.402 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]1CCC[NH2+]C1 ZINC000094337348 364266005 /nfs/dbraw/zinc/26/60/05/364266005.db2.gz IOZXOMIHTQWMEU-VIFPVBQESA-N 1 0 284.285 2.384 10 30 CEEERO C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1[NH3+] ZINC000094342519 364268803 /nfs/dbraw/zinc/26/88/03/364268803.db2.gz GRWRFPQSOFNBDK-FZMZJTMJSA-N 1 0 270.380 2.006 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000095081786 364335527 /nfs/dbraw/zinc/33/55/27/364335527.db2.gz DSTNPZPFTIGSMY-UHFFFAOYSA-N 1 0 258.243 2.420 10 30 CEEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000111830492 364762707 /nfs/dbraw/zinc/76/27/07/364762707.db2.gz AZGCMJXMOWPQEE-NSHDSACASA-N 1 0 262.313 2.252 10 30 CEEERO C=C(Br)CN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113518241 364904343 /nfs/dbraw/zinc/90/43/43/364904343.db2.gz JAPLLDJMCDPGMF-WDEREUQCSA-N 1 0 259.191 2.064 10 30 CEEERO N#Cc1ccc(N2CCC(C[NH3+])CC2)c(Br)c1 ZINC000116942676 365082223 /nfs/dbraw/zinc/08/22/23/365082223.db2.gz KFALWUBVEZRHEB-UHFFFAOYSA-N 1 0 294.196 2.496 10 30 CEEERO C=CCCC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000638866105 370806274 /nfs/dbraw/zinc/80/62/74/370806274.db2.gz NKCYQHMFNTXUPD-ZDUSSCGKSA-N 1 0 252.402 2.485 10 30 CEEERO C=CCCCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247269175 371086630 /nfs/dbraw/zinc/08/66/30/371086630.db2.gz JVHYEUDTBUAPAY-ZIAGYGMSSA-N 1 0 267.417 2.323 10 30 CEEERO C=CCCO[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000253548066 371526899 /nfs/dbraw/zinc/52/68/99/371526899.db2.gz BMVMHGDBIKVVJC-KFWWJZLASA-N 1 0 280.412 2.053 10 30 CEEERO N#Cc1cc(Br)cnc1NCC[C@H]1CC[NH2+]C1 ZINC000261564575 371650635 /nfs/dbraw/zinc/65/06/35/371650635.db2.gz XTCGVSSEWRUOBG-SECBINFHSA-N 1 0 295.184 2.127 10 30 CEEERO Cc1nc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261643275 371689327 /nfs/dbraw/zinc/68/93/27/371689327.db2.gz XDLKPPQDYVFQHC-GXSJLCMTSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1ccc(Cl)cc1NC[C@@H]1C[NH2+]CCCO1 ZINC000390059360 375310182 /nfs/dbraw/zinc/31/01/82/375310182.db2.gz JGHDYXFBERAWEV-LBPRGKRZSA-N 1 0 265.744 2.002 10 30 CEEERO C[C@H](C#N)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309712551 376602911 /nfs/dbraw/zinc/60/29/11/376602911.db2.gz KOKNQQUKZQQLGQ-MWQQHZPXSA-N 1 0 297.402 2.173 10 30 CEEERO N#Cc1cnc(N[C@H](CCC[NH3+])c2ccccc2)cn1 ZINC000312380679 376713556 /nfs/dbraw/zinc/71/35/56/376713556.db2.gz NEOBDAAMNPUNMG-CQSZACIVSA-N 1 0 267.336 2.240 10 30 CEEERO Cc1nc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(Cl)cc1C#N ZINC000292557801 377253183 /nfs/dbraw/zinc/25/31/83/377253183.db2.gz JJKSCTMXQJQNGP-ZANVPECISA-N 1 0 278.787 2.301 10 30 CEEERO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1[NH+](C)C ZINC000287712839 196923503 /nfs/dbraw/zinc/92/35/03/196923503.db2.gz DYWDYPMWDVJNLK-HTQZYQBOSA-N 1 0 270.789 2.054 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@]1(C)c1cccc(OC(F)F)c1 ZINC000093375459 184667991 /nfs/dbraw/zinc/66/79/91/184667991.db2.gz FMVMIYPCHWBJTJ-AWEZNQCLSA-N 1 0 281.306 2.320 10 30 CEEERO Cn1cc(SCc2cc(F)cc(C#CC[NH3+])c2)cn1 ZINC000093994239 184749380 /nfs/dbraw/zinc/74/93/80/184749380.db2.gz VNNDTZFVQXVILJ-UHFFFAOYSA-N 1 0 275.352 2.162 10 30 CEEERO N#CCOc1cccc(NC(=O)[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000094750660 184852596 /nfs/dbraw/zinc/85/25/96/184852596.db2.gz RJANDHWVKMSHPK-GJZGRUSLSA-N 1 0 287.363 2.435 10 30 CEEERO N#C[C@H](c1ccc(C2CC2)cc1)N1CCC[NH2+]CC1 ZINC000094521385 184813966 /nfs/dbraw/zinc/81/39/66/184813966.db2.gz QSAZLCYQBSBWNA-MRXNPFEDSA-N 1 0 255.365 2.424 10 30 CEEERO CCN(CC1CC[NH2+]CC1)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592368 184822435 /nfs/dbraw/zinc/82/24/35/184822435.db2.gz GHSXXCOMPANVPL-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(OC)cc1)n1ccnc1C#N ZINC000094936593 184896502 /nfs/dbraw/zinc/89/65/02/184896502.db2.gz SBXBVQXCEBCPOD-UKRRQHHQSA-N 1 0 270.336 2.090 10 30 CEEERO C[C@H]([NH3+])[C@@H](c1ccccc1Cl)n1ccnc1C#N ZINC000094936478 184896592 /nfs/dbraw/zinc/89/65/92/184896592.db2.gz QYBRSPQNDARESF-ZANVPECISA-N 1 0 260.728 2.345 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncccc1C#N ZINC000252661442 394573001 /nfs/dbraw/zinc/57/30/01/394573001.db2.gz KKSNOYOWHJATRC-OCCSQVGLSA-N 1 0 256.353 2.016 10 30 CEEERO Cc1cc(N2CCC([NH2+]CC3CC3)CC2)cc(C#N)n1 ZINC000308240574 394525561 /nfs/dbraw/zinc/52/55/61/394525561.db2.gz NALYZZAJAPUCFI-UHFFFAOYSA-N 1 0 270.380 2.230 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CC[C@H]([NH3+])[C@@H]3C1)CCCC2 ZINC000261602331 394604208 /nfs/dbraw/zinc/60/42/08/394604208.db2.gz BZHBHHZTERKURN-CFVMTHIKSA-N 1 0 282.391 2.006 10 30 CEEERO CC[C@@H]1C[N@H+](CC(C)(C)CCC#N)CCN1CCOC ZINC000120980183 394789284 /nfs/dbraw/zinc/78/92/84/394789284.db2.gz JTNNBMVTLOHKPH-OAHLLOKOSA-N 1 0 281.444 2.359 10 30 CEEERO N#Cc1cc(N2CCC[C@@H]2C[NH3+])nc2ccccc12 ZINC000131990402 394923111 /nfs/dbraw/zinc/92/31/11/394923111.db2.gz QKAGXXPZHYOCGV-GFCCVEGCSA-N 1 0 252.321 2.034 10 30 CEEERO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C#N)c(C)n1 ZINC000156591140 395033265 /nfs/dbraw/zinc/03/32/65/395033265.db2.gz YGWFSVLWLPFQTM-KGLIPLIRSA-N 1 0 270.380 2.243 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCCSCC#N ZINC000175354101 395131696 /nfs/dbraw/zinc/13/16/96/395131696.db2.gz WYVTWXCRVHGZGN-CYBMUJFWSA-N 1 0 255.431 2.049 10 30 CEEERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000178302991 395165019 /nfs/dbraw/zinc/16/50/19/395165019.db2.gz KGUGNKAFOFBRLA-CQSZACIVSA-N 1 0 278.425 2.303 10 30 CEEERO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cccs1 ZINC000182553831 395243581 /nfs/dbraw/zinc/24/35/81/395243581.db2.gz SVWXFXNVWIBEDS-LLVKDONJSA-N 1 0 265.382 2.161 10 30 CEEERO C#CCCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000192217909 395375573 /nfs/dbraw/zinc/37/55/73/395375573.db2.gz ZYGUAOZLJSLROL-QGZVFWFLSA-N 1 0 299.418 2.165 10 30 CEEERO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](C)c1cccs1 ZINC000193182184 395403403 /nfs/dbraw/zinc/40/34/03/395403403.db2.gz IPZSVEBSNQKYBV-BXUZGUMPSA-N 1 0 279.409 2.453 10 30 CEEERO C=CCOCC[N@H+]1C[C@H]2CCCCN2C[C@H]1CC ZINC000302328171 400331105 /nfs/dbraw/zinc/33/11/05/400331105.db2.gz FVUFYWRGBNYYLQ-HUUCEWRRSA-N 1 0 252.402 2.138 10 30 CEEERO N#Cc1c(Br)cccc1N[C@H]1CCC[NH2+]C1 ZINC000165079462 162341119 /nfs/dbraw/zinc/34/11/19/162341119.db2.gz UCDQMGRDDBXHOH-VIFPVBQESA-N 1 0 280.169 2.485 10 30 CEEERO CN(c1ccc(C#N)cc1Br)[C@H]1CC[NH2+]C1 ZINC000169224951 165036706 /nfs/dbraw/zinc/03/67/06/165036706.db2.gz DFXHKDNIWUZILG-JTQLQIEISA-N 1 0 280.169 2.119 10 30 CEEERO N#C[C@H](c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000019264897 170763925 /nfs/dbraw/zinc/76/39/25/170763925.db2.gz FVJWSTKBOGPXPL-GFCCVEGCSA-N 1 0 269.270 2.175 10 30 CEEERO CC[C@@H](C)[C@H]([NH3+])C(=O)N(CCC#N)c1ccccc1 ZINC000019833588 170883459 /nfs/dbraw/zinc/88/34/59/170883459.db2.gz OOMTXVHPLJLGGJ-OCCSQVGLSA-N 1 0 259.353 2.307 10 30 CEEERO N#Cc1cccc(NC(=O)CCC[NH+]2CCCC2)c1 ZINC000019846660 170895007 /nfs/dbraw/zinc/89/50/07/170895007.db2.gz QAJIKZZBLXOVGS-UHFFFAOYSA-N 1 0 257.337 2.373 10 30 CEEERO C[N@H+](Cc1cccs1)Cc1ccccc1/C(N)=N/O ZINC000035717560 172371373 /nfs/dbraw/zinc/37/13/73/172371373.db2.gz OGZUKSMIQOODGW-UHFFFAOYSA-N 1 0 275.377 2.475 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000036964062 172831877 /nfs/dbraw/zinc/83/18/77/172831877.db2.gz AWJCZGUVUYVXOO-LBPRGKRZSA-N 1 0 263.728 2.292 10 30 CEEERO C=CCOc1ccc(C[NH2+]CCCC(=O)OC)cc1 ZINC000037415874 173192702 /nfs/dbraw/zinc/19/27/02/173192702.db2.gz WEQXIJMWXIILTA-UHFFFAOYSA-N 1 0 263.337 2.294 10 30 CEEERO C[NH+](C)CCCNc1c(C#N)cnc2ccccc21 ZINC000037507643 173241880 /nfs/dbraw/zinc/24/18/80/173241880.db2.gz YYERAVSKFDQVRQ-UHFFFAOYSA-N 1 0 254.337 2.470 10 30 CEEERO C=CCN(C(=O)[C@@H]([NH3+])CCSC)C1CCCC1 ZINC000040468191 174277132 /nfs/dbraw/zinc/27/71/32/174277132.db2.gz ZEYFFOHKSSUMKN-LBPRGKRZSA-N 1 0 256.415 2.024 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499950 174296456 /nfs/dbraw/zinc/29/64/56/174296456.db2.gz VSXRZLYITQARHV-KGLIPLIRSA-N 1 0 276.380 2.043 10 30 CEEERO Clc1ccc(C#CCN2CC[NH2+]CC2)c(Cl)c1 ZINC000040940963 174437430 /nfs/dbraw/zinc/43/74/30/174437430.db2.gz LQBMKAFRBFZHLK-UHFFFAOYSA-N 1 0 269.175 2.250 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000662857520 414777344 /nfs/dbraw/zinc/77/73/44/414777344.db2.gz NPUMYMBHYCIGCL-HSBZDZAISA-N 1 0 250.386 2.319 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)N(CC#N)CC#N ZINC000042965769 174929378 /nfs/dbraw/zinc/92/93/78/174929378.db2.gz VDAGXCGYQQSXBQ-HUUCEWRRSA-N 1 0 256.353 2.123 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355534 175023004 /nfs/dbraw/zinc/02/30/04/175023004.db2.gz HWUDESUTSNYPDX-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1ccc(CC#N)cc1)C(F)(F)F ZINC000043383441 175031395 /nfs/dbraw/zinc/03/13/95/175031395.db2.gz AAQKZELMCPIKKQ-KWQFWETISA-N 1 0 258.243 2.410 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccc3c(c2)OCO3)s1 ZINC000043685134 175093922 /nfs/dbraw/zinc/09/39/22/175093922.db2.gz GMJYZUCJEXKVLT-UHFFFAOYSA-N 1 0 287.340 2.366 10 30 CEEERO OCC#Cc1csc(C[N@@H+](CCO)C2CCCCC2)c1 ZINC000043698708 175096739 /nfs/dbraw/zinc/09/67/39/175096739.db2.gz MBYKERQYXSVJEL-UHFFFAOYSA-N 1 0 293.432 2.219 10 30 CEEERO CC[C@H](C)[N@H+](CCOC)Cc1cc(C#CCO)cs1 ZINC000043698725 175096996 /nfs/dbraw/zinc/09/69/96/175096996.db2.gz YCCCPGDOAUEFCS-ZDUSSCGKSA-N 1 0 281.421 2.339 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732459 175241220 /nfs/dbraw/zinc/24/12/20/175241220.db2.gz QITXLNIKQGXBGU-XHDPSFHLSA-N 1 0 274.364 2.092 10 30 CEEERO CC1(NC(=O)c2cccc(C#CC[NH3+])c2)CCCCC1 ZINC000045047651 175297202 /nfs/dbraw/zinc/29/72/02/175297202.db2.gz YABWBTDFCFHTHS-UHFFFAOYSA-N 1 0 270.376 2.449 10 30 CEEERO CN(CC(C)(C)C)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000045091840 175305755 /nfs/dbraw/zinc/30/57/55/175305755.db2.gz PLTPXLYHSUAJLE-UHFFFAOYSA-N 1 0 264.394 2.176 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@H+](C)C1CCOCC1 ZINC000045311823 175356131 /nfs/dbraw/zinc/35/61/31/175356131.db2.gz NETXQOBDZBJNCW-OAHLLOKOSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](C)C1CCN(CC)CC1 ZINC000045317146 175358219 /nfs/dbraw/zinc/35/82/19/175358219.db2.gz CAHNDPBNHGMVPS-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO CCN1CCC([N@H+](C)CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045317158 175358497 /nfs/dbraw/zinc/35/84/97/175358497.db2.gz LFZZJNKMVFQCIM-QGZVFWFLSA-N 1 0 294.487 2.463 10 30 CEEERO CCC[NH2+][C@H]1CCCN(Cc2ccc(C#N)cc2)C1=O ZINC000071041565 176027977 /nfs/dbraw/zinc/02/79/77/176027977.db2.gz KRIXDJJJOKBIOJ-HNNXBMFYSA-N 1 0 271.364 2.049 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000071322530 176122959 /nfs/dbraw/zinc/12/29/59/176122959.db2.gz LGIPSQJPJOKRLE-NJZAAPMLSA-N 1 0 288.416 2.111 10 30 CEEERO Cc1ccc(C(=O)NCc2ccc(C#CC[NH3+])s2)s1 ZINC000071322765 176123432 /nfs/dbraw/zinc/12/34/32/176123432.db2.gz IVAMQNNNOMEJOH-UHFFFAOYSA-N 1 0 290.413 2.358 10 30 CEEERO CCCN(Cc1cc(C#N)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000071332004 176125185 /nfs/dbraw/zinc/12/51/85/176125185.db2.gz YMGHEWOGIWUJPG-CQSZACIVSA-N 1 0 261.344 2.271 10 30 CEEERO CC(C)n1c(C[NH3+])nnc1SCC#Cc1ccccc1 ZINC000071374516 176139565 /nfs/dbraw/zinc/13/95/65/176139565.db2.gz FSBZKYPCYCEKKF-UHFFFAOYSA-N 1 0 286.404 2.462 10 30 CEEERO N#Cc1cc2ccccc2nc1N[C@@H]1CCC[C@H]1[NH3+] ZINC000071386117 176147273 /nfs/dbraw/zinc/14/72/73/176147273.db2.gz MLFUMWBPMSAGKX-TZMCWYRMSA-N 1 0 252.321 2.398 10 30 CEEERO CN(c1nc2ccccc2cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000071386155 176147312 /nfs/dbraw/zinc/14/73/12/176147312.db2.gz AEWKJMJVXCPMRB-CQSZACIVSA-N 1 0 266.348 2.295 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]CC ZINC000071403860 176155084 /nfs/dbraw/zinc/15/50/84/176155084.db2.gz ZFHQZEUNQXLVKH-ZDUSSCGKSA-N 1 0 276.380 2.174 10 30 CEEERO CC(C)CN1C(=O)c2ccc(C[NH+](C)C)cc2C1C#N ZINC000071680410 176244732 /nfs/dbraw/zinc/24/47/32/176244732.db2.gz RSFNSPBFEXRLRJ-OAHLLOKOSA-N 1 0 271.364 2.425 10 30 CEEERO C=CCNC(=O)[C@@H](CC[NH3+])c1cccc(Cl)c1 ZINC000076656946 177045884 /nfs/dbraw/zinc/04/58/84/177045884.db2.gz XEIBINBYOHMLPN-LBPRGKRZSA-N 1 0 252.745 2.075 10 30 CEEERO CC(C)(C)[C@@H](CC[NH3+])CCC(=O)NCCCC#N ZINC000079293588 177465115 /nfs/dbraw/zinc/46/51/15/177465115.db2.gz HSYHJVPOZHCLEZ-GFCCVEGCSA-N 1 0 253.390 2.198 10 30 CEEERO C[C@@H](CC#N)NC(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079293244 177465400 /nfs/dbraw/zinc/46/54/00/177465400.db2.gz UHCLAUPRHDXFTH-RYUDHWBXSA-N 1 0 253.390 2.196 10 30 CEEERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000329374301 227477180 /nfs/dbraw/zinc/47/71/80/227477180.db2.gz NKQGPSQJQPMRPS-CVEARBPZSA-N 1 0 297.402 2.454 10 30 CEEERO C=CCN(CC=C)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000131572155 260408526 /nfs/dbraw/zinc/40/85/26/260408526.db2.gz PSLUIMKDIJZTJJ-OAHLLOKOSA-N 1 0 283.375 2.238 10 30 CEEERO CCc1noc([C@H](C)N2CC[NH+](CCCCC#N)CC2)n1 ZINC000105865472 261316882 /nfs/dbraw/zinc/31/68/82/261316882.db2.gz VOHSDJPXMCTCHU-ZDUSSCGKSA-N 1 0 291.399 2.004 10 30 CEEERO C[C@@H]1CN(c2c(C#N)cnc3ccccc32)CC[C@@H]1[NH3+] ZINC000094342356 274360327 /nfs/dbraw/zinc/36/03/27/274360327.db2.gz KHWGPQBROORQHT-RISCZKNCSA-N 1 0 266.348 2.280 10 30 CEEERO Cc1nc(N[C@@H]2CCC[NH2+][C@@H]2C)c(Cl)cc1C#N ZINC000261566955 274844346 /nfs/dbraw/zinc/84/43/46/274844346.db2.gz IIZAIHMQBOILOF-BXKDBHETSA-N 1 0 264.760 2.468 10 30 CEEERO N#Cc1cnc2ccccc2c1NC[C@H]1CCC[NH2+]1 ZINC000053255396 274930576 /nfs/dbraw/zinc/93/05/76/274930576.db2.gz YSUYFMVWPYTHJU-GFCCVEGCSA-N 1 0 252.321 2.270 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000070174866 277601397 /nfs/dbraw/zinc/60/13/97/277601397.db2.gz WFLBZRHGCLGBBI-PWSUYJOCSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000126635228 278317817 /nfs/dbraw/zinc/31/78/17/278317817.db2.gz CWXLYSHYAPYUKF-PWSUYJOCSA-N 1 0 274.324 2.030 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc(C#N)c1 ZINC000245431298 280239780 /nfs/dbraw/zinc/23/97/80/280239780.db2.gz NYHKEKJWBPSVCV-IRXDYDNUSA-N 1 0 299.418 2.496 10 30 CEEERO C[C@H]([NH3+])C[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000320699976 297497846 /nfs/dbraw/zinc/49/78/46/297497846.db2.gz RRXWWLIMYPUBNS-UWVGGRQHSA-N 1 0 255.325 2.039 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382457603 321840101 /nfs/dbraw/zinc/84/01/01/321840101.db2.gz KWTGPVMOEZITAR-STQMWFEESA-N 1 0 266.348 2.210 10 30 CEEERO C=CCSCC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186395612 329343721 /nfs/dbraw/zinc/34/37/21/329343721.db2.gz BIXFKYULAXZQMD-KGLIPLIRSA-N 1 0 285.453 2.469 10 30 CEEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3cccnn3)C2)C1 ZINC000248766461 329899025 /nfs/dbraw/zinc/89/90/25/329899025.db2.gz GZLSWPDZMOEYIW-QLFBSQMISA-N 1 0 285.395 2.117 10 30 CEEERO [NH2+]=C(NCc1cc(F)cc(F)c1)NCC1CCC1 ZINC000262016851 329997770 /nfs/dbraw/zinc/99/77/70/329997770.db2.gz WHQASYRJWWIODW-UHFFFAOYSA-N 1 0 253.296 2.169 10 30 CEEERO CC[C@H](C)NC(=[NH2+])NCC1(C(F)(F)F)CCC1 ZINC000262070952 329999323 /nfs/dbraw/zinc/99/93/23/329999323.db2.gz CGCOJGTXGOQAFV-QMMMGPOBSA-N 1 0 251.296 2.422 10 30 CEEERO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262536870 330020106 /nfs/dbraw/zinc/02/01/06/330020106.db2.gz PZTVGWNEURUVDA-JOYOIKCWSA-N 1 0 265.307 2.301 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262836892 330034872 /nfs/dbraw/zinc/03/48/72/330034872.db2.gz SRSMNZYZRDWRNP-ZDUSSCGKSA-N 1 0 275.352 2.252 10 30 CEEERO CN1C[C@H](CNC(=[NH2+])NC2CCCC2)Cc2ccccc21 ZINC000262856822 330035568 /nfs/dbraw/zinc/03/55/68/330035568.db2.gz YDHORGVMAOCHAL-ZDUSSCGKSA-N 1 0 286.423 2.142 10 30 CEEERO [NH2+]=C(NCc1c(F)cc(F)cc1F)NC1CCC1 ZINC000263184693 330047981 /nfs/dbraw/zinc/04/79/81/330047981.db2.gz URNABKFAWJQWJC-UHFFFAOYSA-N 1 0 257.259 2.061 10 30 CEEERO C=CCC[C@@H](C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263516019 330058701 /nfs/dbraw/zinc/05/87/01/330058701.db2.gz OSHFQIPKYCPMEZ-LRVUVFPRSA-N 1 0 280.412 2.258 10 30 CEEERO C=CC[C@@H](CO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000184264283 333126184 /nfs/dbraw/zinc/12/61/84/333126184.db2.gz VLNAHTPNISEMRO-KGLIPLIRSA-N 1 0 298.427 2.160 10 30 CEEERO CN(CC[NH2+][C@H]1CCC[C@@H]1C#N)Cc1ccccc1 ZINC000386745943 336177959 /nfs/dbraw/zinc/17/79/59/336177959.db2.gz ZPOYZFIWYNEOJP-CVEARBPZSA-N 1 0 257.381 2.400 10 30 CEEERO CC(C)[N@H+](C)CCOc1ccc(C#CCCO)cc1 ZINC000049616507 519626657 /nfs/dbraw/zinc/62/66/57/519626657.db2.gz YGFLVDGMYIIJFV-UHFFFAOYSA-N 1 0 261.365 2.140 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611609 519739191 /nfs/dbraw/zinc/73/91/91/519739191.db2.gz SROOTCAULUTQDS-HOCLYGCPSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611598 520031978 /nfs/dbraw/zinc/03/19/78/520031978.db2.gz SJCKKHHDGYCSKR-GDBMZVCRSA-N 1 0 280.460 2.073 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000068614980 520102522 /nfs/dbraw/zinc/10/25/22/520102522.db2.gz GATUIHQXWVJPFO-BBWFWOEESA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@](C)(C#N)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055069981 520103587 /nfs/dbraw/zinc/10/35/87/520103587.db2.gz UXMHLNZMCGFMGU-HOTGVXAUSA-N 1 0 280.460 2.074 10 30 CEEERO CCCC[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049616390 520421166 /nfs/dbraw/zinc/42/11/66/520421166.db2.gz GHEHEBPFJVCHQH-UHFFFAOYSA-N 1 0 261.365 2.271 10 30 CEEERO C#Cc1cccc(NC(=O)CCC2CC[NH2+]CC2)c1 ZINC000050940618 518361240 /nfs/dbraw/zinc/36/12/40/518361240.db2.gz DVAADDZGAFSUBJ-UHFFFAOYSA-N 1 0 256.349 2.386 10 30 CEEERO C=CCOc1c(C[NH2+]CCOC)cccc1OCC ZINC000062732792 519003734 /nfs/dbraw/zinc/00/37/34/519003734.db2.gz ONYFCLXEHWPUSC-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO CC#CCOc1c(Br)cc(C[NH3+])cc1OC ZINC000051662590 519344475 /nfs/dbraw/zinc/34/44/75/519344475.db2.gz NSHRFJPYANNMTF-UHFFFAOYSA-N 1 0 284.153 2.319 10 30 CEEERO CC(C)C[NH+]1CCN([C@H](C)C[C@](C)(C#N)NC2CC2)CC1 ZINC000068615070 519728190 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287.363 2.307 10 30 CEEERO N#Cc1cc(N2CC[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000164074350 526565620 /nfs/dbraw/zinc/56/56/20/526565620.db2.gz YMROIADWAZEXRY-SECBINFHSA-N 1 0 269.270 2.362 10 30 CEEERO N#Cc1cc2c(nc1N[C@H]1CCCC[NH2+]C1)CCCC2 ZINC000070120981 526580085 /nfs/dbraw/zinc/58/00/85/526580085.db2.gz PIYSYDMSTUKZEI-AWEZNQCLSA-N 1 0 270.380 2.386 10 30 CEEERO N#Cc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050940116 526649637 /nfs/dbraw/zinc/64/96/37/526649637.db2.gz AQVSKZQQJAWISM-CYBMUJFWSA-N 1 0 257.337 2.419 10 30 CEEERO [NH3+]CC#Cc1ccc(COC[C@H]2CCCCO2)c(F)c1 ZINC000049610763 527149640 /nfs/dbraw/zinc/14/96/40/527149640.db2.gz JHQDXWBAYGQOQS-OAHLLOKOSA-N 1 0 277.339 2.222 10 30 CEEERO [NH3+]CC#Cc1ccccc1COc1ccc(CO)cc1 ZINC000049611145 527154874 /nfs/dbraw/zinc/15/48/74/527154874.db2.gz HLDDUYBPXPIUEQ-UHFFFAOYSA-N 1 0 267.328 2.068 10 30 CEEERO [NH3+]CC#Cc1cnc(NC(=O)C2(c3ccccc3)CC2)s1 ZINC000061618391 527155046 /nfs/dbraw/zinc/15/50/46/527155046.db2.gz YXJFVUSLRQBAGU-UHFFFAOYSA-N 1 0 297.383 2.124 10 30 CEEERO [NH3+]CC#Cc1ccccc1CNC(=O)Nc1ccccc1 ZINC000049587495 527155520 /nfs/dbraw/zinc/15/55/20/527155520.db2.gz VLEZKJRFSIKYGO-UHFFFAOYSA-N 1 0 279.343 2.319 10 30 CEEERO C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502484 623632414 /nfs/dbraw/zinc/63/24/14/623632414.db2.gz XFFLPBUSVFSLEY-MRXNPFEDSA-N 1 0 272.392 2.273 10 30 CEEERO CC[NH+]=C(NCCn1c(C)nc2ccccc21)N[C@@H]1C[C@@H]1C ZINC000083881542 632225524 /nfs/dbraw/zinc/22/55/24/632225524.db2.gz CNDBYYUVULZCKG-SWLSCSKDSA-N 1 0 299.422 2.308 10 30 CEEERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000168157435 639562521 /nfs/dbraw/zinc/56/25/21/639562521.db2.gz BQOPKNSZVUEMFB-FRRDWIJNSA-N 1 0 279.384 2.278 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000229600469 639709450 /nfs/dbraw/zinc/70/94/50/639709450.db2.gz XAMWKEIHZLEHFT-KOLCDFICSA-N 1 0 260.297 2.019 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000063169501 639837332 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344308114 /nfs/dbraw/zinc/30/81/14/344308114.db2.gz CRIDPBIMYLRMEJ-UHFFFAOYSA-N 1 0 257.259 2.362 10 30 CEEERO C[NH+](C)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162903849 344469171 /nfs/dbraw/zinc/46/91/71/344469171.db2.gz UDIVEWNVYLDVAF-ZDUSSCGKSA-N 1 0 263.772 2.348 10 30 CEEERO CN(CCC[NH3+])c1ccc(C#N)cc1Br ZINC000169228901 344481460 /nfs/dbraw/zinc/48/14/60/344481460.db2.gz FSFYCNHWSBRDQW-UHFFFAOYSA-N 1 0 268.158 2.106 10 30 CEEERO C[C@H]([NH3+])CNc1cc(Br)cc(C#N)c1 ZINC000227644049 344555772 /nfs/dbraw/zinc/55/57/72/344555772.db2.gz CKYNQVFHOKXJJO-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO C#CC[C@H]([NH3+])c1ccc(F)cc1I ZINC000236305117 344595427 /nfs/dbraw/zinc/59/54/27/344595427.db2.gz DFZMCKIDGFPWLU-JTQLQIEISA-N 1 0 289.091 2.453 10 30 CEEERO CC(C)CN(CCC#N)C(=O)CC1([NH3+])CCCC1 ZINC000084182462 178817187 /nfs/dbraw/zinc/81/71/87/178817187.db2.gz NOEGUWGEWQUNRR-UHFFFAOYSA-N 1 0 251.374 2.046 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000085366632 179037184 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0 263.316 2.399 10 30 CEEERO CCCCCNC(=O)c1cc(C#CC[NH3+])ccc1C ZINC000087747733 179481013 /nfs/dbraw/zinc/48/10/13/179481013.db2.gz SHYWCKNBYHDRRV-UHFFFAOYSA-N 1 0 258.365 2.225 10 30 CEEERO COc1ccc(C#CCCO)c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000087786706 179486225 /nfs/dbraw/zinc/48/62/25/179486225.db2.gz MJYAYZBFJNVSBY-CQSZACIVSA-N 1 0 273.376 2.413 10 30 CEEERO CC(C)(C#N)CCOc1cc2c(cc1CC[NH3+])OCO2 ZINC000087593801 179451504 /nfs/dbraw/zinc/45/15/04/179451504.db2.gz JBGQHMGCSCHRCM-UHFFFAOYSA-N 1 0 276.336 2.235 10 30 CEEERO CC[C@@H](C)NC(=O)CC[NH2+]CCCC(C)(C)C#N ZINC000087597497 179452593 /nfs/dbraw/zinc/45/25/93/179452593.db2.gz ONAKHIQJTZBRSP-GFCCVEGCSA-N 1 0 253.390 2.211 10 30 CEEERO CC[C@H](C)NC(=O)CC[NH2+]CCCC(C)(C)C#N ZINC000087597499 179452722 /nfs/dbraw/zinc/45/27/22/179452722.db2.gz ONAKHIQJTZBRSP-LBPRGKRZSA-N 1 0 253.390 2.211 10 30 CEEERO Cc1cc(C#N)cc(C)c1OCc1nc(C(C)(C)[NH3+])no1 ZINC000088155242 179558333 /nfs/dbraw/zinc/55/83/33/179558333.db2.gz TVKUNBTVGOWJKW-UHFFFAOYSA-N 1 0 286.335 2.331 10 30 CEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191455 179561904 /nfs/dbraw/zinc/56/19/04/179561904.db2.gz AVOFTLBCQFLPDA-KWQFWETISA-N 1 0 297.280 2.371 10 30 CEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000104219100 185934407 /nfs/dbraw/zinc/93/44/07/185934407.db2.gz NOCFMIAVNFGTPZ-KWQFWETISA-N 1 0 263.728 2.006 10 30 CEEERO OC[C@@H]1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000089527127 179809937 /nfs/dbraw/zinc/80/99/37/179809937.db2.gz YBGLWZYLJXVUCT-SJORKVTESA-N 1 0 257.377 2.426 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)[C@H]2Cc3ccccc32)cc1 ZINC000090985718 180080860 /nfs/dbraw/zinc/08/08/60/180080860.db2.gz HNUCJPFLFAHGBH-KRWDZBQOSA-N 1 0 276.339 2.275 10 30 CEEERO COCC[NH2+]Cc1cccn1Cc1ccccc1C#N ZINC000091002054 180083986 /nfs/dbraw/zinc/08/39/86/180083986.db2.gz MYMPOXFHVPGUMK-UHFFFAOYSA-N 1 0 269.348 2.144 10 30 CEEERO N#Cc1cc(NC(=O)C[C@@H]2CSCC[NH2+]2)ccc1Cl ZINC000091134869 180103997 /nfs/dbraw/zinc/10/39/97/180103997.db2.gz LTNAEHVZUUFNMX-LLVKDONJSA-N 1 0 295.795 2.245 10 30 CEEERO C[NH2+]C1CCC(Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000091873510 180277886 /nfs/dbraw/zinc/27/78/86/180277886.db2.gz WOJYPGGIIYRJPX-UHFFFAOYSA-N 1 0 274.324 2.409 10 30 CEEERO CC1CCN(C(=O)Nc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000091992468 180300337 /nfs/dbraw/zinc/30/03/37/180300337.db2.gz UAUDTSXBJKMNLF-UHFFFAOYSA-N 1 0 289.354 2.400 10 30 CEEERO Cc1ccc(OCc2ccc(C#N)cc2)c(C[NH3+])n1 ZINC000091993574 180301124 /nfs/dbraw/zinc/30/11/24/180301124.db2.gz UEORULJWHNHQOJ-UHFFFAOYSA-N 1 0 253.305 2.299 10 30 CEEERO Cc1ccc(OCc2ccc(C#N)cc2F)c(C[NH3+])n1 ZINC000091993969 180301230 /nfs/dbraw/zinc/30/12/30/180301230.db2.gz KLCBHABCTQZRDD-UHFFFAOYSA-N 1 0 271.295 2.439 10 30 CEEERO C=C(C)C[C@@H]([NH2+]CCC)C(C)(C)N1CCOCC1 ZINC000092130085 180330038 /nfs/dbraw/zinc/33/00/38/180330038.db2.gz QLUBEOZICPWWQR-CQSZACIVSA-N 1 0 254.418 2.432 10 30 CEEERO C=CC[NH2+]CC(=O)NCc1ccc(C(F)(F)F)cc1 ZINC000092475758 180393704 /nfs/dbraw/zinc/39/37/04/180393704.db2.gz CYFJIIRWORWZQI-UHFFFAOYSA-N 1 0 272.270 2.097 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000092474783 180393913 /nfs/dbraw/zinc/39/39/13/180393913.db2.gz QXTBKBFHOBEPOF-GFCCVEGCSA-N 1 0 250.367 2.187 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(C)cc1OCCC ZINC000092474445 180394146 /nfs/dbraw/zinc/39/41/46/180394146.db2.gz XBMMRXDLEBYNHZ-UHFFFAOYSA-N 1 0 262.353 2.498 10 30 CEEERO C[NH+](C)[C@@H]1CCN(C(=O)C2(C#N)CCCCCC2)C1 ZINC000110250173 186288478 /nfs/dbraw/zinc/28/84/78/186288478.db2.gz UEGWLQKISMJJHL-CYBMUJFWSA-N 1 0 263.385 2.013 10 30 CEEERO C[N@@H+]1CCN(Cc2cc(C#CCCO)cs2)CC1(C)C ZINC000110734678 186318193 /nfs/dbraw/zinc/31/81/93/186318193.db2.gz SISDADKENCTBES-UHFFFAOYSA-N 1 0 292.448 2.008 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737526 186319444 /nfs/dbraw/zinc/31/94/44/186319444.db2.gz AUVAOQYHCWEULD-QGZVFWFLSA-N 1 0 294.487 2.463 10 30 CEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000111264716 186381554 /nfs/dbraw/zinc/38/15/54/186381554.db2.gz VPSBOIVJXADELR-FZMZJTMJSA-N 1 0 271.364 2.282 10 30 CEEERO Cc1ccc(C#N)c(NCCCOC2CC[NH2+]CC2)c1 ZINC000111792567 186458225 /nfs/dbraw/zinc/45/82/25/186458225.db2.gz HGSYPIYUNXBTSI-UHFFFAOYSA-N 1 0 273.380 2.437 10 30 CEEERO N#Cc1ccc(C[NH+]2CCC(Cn3cccn3)CC2)o1 ZINC000122073395 187014097 /nfs/dbraw/zinc/01/40/97/187014097.db2.gz XOKJZNRALBVSPM-UHFFFAOYSA-N 1 0 270.336 2.260 10 30 CEEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1ncc(F)cn1 ZINC000072481098 363138622 /nfs/dbraw/zinc/13/86/22/363138622.db2.gz UXQNQPWYZCYYLO-CYBMUJFWSA-N 1 0 297.399 2.378 10 30 CEEERO CC#CCC[N@@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000155547148 188212918 /nfs/dbraw/zinc/21/29/18/188212918.db2.gz YQJKTRVEEFACNJ-OAHLLOKOSA-N 1 0 260.385 2.020 10 30 CEEERO COc1cc(C#N)ccc1OCC[N@@H+]1CCS[C@@H](C)C1 ZINC000157903428 188346415 /nfs/dbraw/zinc/34/64/15/188346415.db2.gz KBSMBJLYBORRIO-LBPRGKRZSA-N 1 0 292.404 2.383 10 30 CEEERO N#Cc1cc(F)c(N2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000335296163 283096750 /nfs/dbraw/zinc/09/67/50/283096750.db2.gz JGARAZOFSJOJIM-UHFFFAOYSA-N 1 0 277.318 2.416 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc2ccccc12 ZINC000261738413 283108882 /nfs/dbraw/zinc/10/88/82/283108882.db2.gz RXZPDEGQSLWFEJ-TUKIKUTGSA-N 1 0 278.359 2.280 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089108777 283112923 /nfs/dbraw/zinc/11/29/23/283112923.db2.gz VOUNCNQPEHVRHT-ZWNOBZJWSA-N 1 0 274.324 2.396 10 30 CEEERO N#Cc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108370 283181189 /nfs/dbraw/zinc/18/11/89/283181189.db2.gz PNNUYNPPHFLZGO-NEPJUHHUSA-N 1 0 274.324 2.396 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000252876479 283191135 /nfs/dbraw/zinc/19/11/35/283191135.db2.gz XCQCCYIKWOQACW-RWMBFGLXSA-N 1 0 286.335 2.030 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000092628661 364090623 /nfs/dbraw/zinc/09/06/23/364090623.db2.gz KTSRVRLHFNNAOX-INIZCTEOSA-N 1 0 257.381 2.474 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)o1 ZINC000092812595 364109459 /nfs/dbraw/zinc/10/94/59/364109459.db2.gz FETUBQZDLFELFA-CYBMUJFWSA-N 1 0 282.347 2.480 10 30 CEEERO N#Cc1ccc(C[NH+]2CCC(c3cc[nH]n3)CC2)o1 ZINC000092810789 364109659 /nfs/dbraw/zinc/10/96/59/364109659.db2.gz DIDKOWGHURUXEQ-UHFFFAOYSA-N 1 0 256.309 2.254 10 30 CEEERO C[C@H]([NH3+])CCNc1nc(C(F)(F)F)ccc1C#N ZINC000094337403 364266195 /nfs/dbraw/zinc/26/61/95/364266195.db2.gz ANBPFVUCYMRKFQ-ZETCQYMHSA-N 1 0 258.247 2.121 10 30 CEEERO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)C12CCOCC2 ZINC000185659130 368839191 /nfs/dbraw/zinc/83/91/91/368839191.db2.gz BWWSSHSRLUBSAL-GJZGRUSLSA-N 1 0 290.363 2.215 10 30 CEEERO C[NH+](C)C[C@@H](NCc1nc(C#N)cs1)c1ccccc1 ZINC000352835900 369903563 /nfs/dbraw/zinc/90/35/63/369903563.db2.gz QPMQRMWQAVITMO-CQSZACIVSA-N 1 0 286.404 2.407 10 30 CEEERO C[N@H+](CCNc1ccc([N+](=O)[O-])c(C#N)n1)C1CCCC1 ZINC000234276600 370532128 /nfs/dbraw/zinc/53/21/28/370532128.db2.gz PZUVWHCLVUBZIN-UHFFFAOYSA-N 1 0 289.339 2.148 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2ccccc2c1C#N ZINC000247238140 371081977 /nfs/dbraw/zinc/08/19/77/371081977.db2.gz MYFVPKYKAAOQBS-HOCLYGCPSA-N 1 0 294.402 2.479 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000247322761 371092917 /nfs/dbraw/zinc/09/29/17/371092917.db2.gz OUCAICZZANWXFI-CJNGLKHVSA-N 1 0 283.375 2.061 10 30 CEEERO CCC[NH2+]CCNc1ncc(Br)cc1C#N ZINC000261579914 371658840 /nfs/dbraw/zinc/65/88/40/371658840.db2.gz MOYRSCAUYWBXEH-UHFFFAOYSA-N 1 0 283.173 2.127 10 30 CEEERO N#Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382419338 375184867 /nfs/dbraw/zinc/18/48/67/375184867.db2.gz APCDYEDSMDCXNQ-WDEREUQCSA-N 1 0 260.297 2.148 10 30 CEEERO N#Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)nc2ccccc12 ZINC000382461083 375186506 /nfs/dbraw/zinc/18/65/06/375186506.db2.gz WDOVROKVHOKJQQ-WCQYABFASA-N 1 0 266.348 2.068 10 30 CEEERO N#Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000382469909 375187481 /nfs/dbraw/zinc/18/74/81/375187481.db2.gz OZFWRCHHOHHBGM-MWLCHTKSSA-N 1 0 260.297 2.006 10 30 CEEERO C[C@H](C[NH3+])N(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000383018939 375196677 /nfs/dbraw/zinc/19/66/77/375196677.db2.gz NBIVAEKTLVNXPM-MRVPVSSYSA-N 1 0 257.259 2.360 10 30 CEEERO N#Cc1ccc(NC(=O)O[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000093220502 184656805 /nfs/dbraw/zinc/65/68/05/184656805.db2.gz CIFOXQQZEDXIMQ-AAEUAGOBSA-N 1 0 259.309 2.377 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCCN1C[C@@H](C#N)c1ccccc1 ZINC000080787102 177706564 /nfs/dbraw/zinc/70/65/64/177706564.db2.gz RHROQCYCJDPEGY-BMFZPTHFSA-N 1 0 257.381 2.495 10 30 CEEERO Cc1cc(C(=O)NCC2CCCC2)sc1C#CC[NH3+] ZINC000094536230 184814376 /nfs/dbraw/zinc/81/43/76/184814376.db2.gz YCYPQWLLTUWLFY-UHFFFAOYSA-N 1 0 276.405 2.287 10 30 CEEERO CCC([NH3+])(CC)COc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094593547 184823128 /nfs/dbraw/zinc/82/31/28/184823128.db2.gz WKVPIGQJVXKWNC-UHFFFAOYSA-N 1 0 263.297 2.363 10 30 CEEERO Cc1nnc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c(C#N)c1C ZINC000083704232 135030541 /nfs/dbraw/zinc/03/05/41/135030541.db2.gz YVWJBDMUJFSTFN-FZMZJTMJSA-N 1 0 285.395 2.028 10 30 CEEERO C[C@@H]1CCC[C@H](C[NH3+])N1c1c(C#N)nnc2ccccc21 ZINC000085921022 135038556 /nfs/dbraw/zinc/03/85/56/135038556.db2.gz JHXKIQFXKJZJSH-VXGBXAGGSA-N 1 0 281.363 2.208 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000132446521 394930260 /nfs/dbraw/zinc/93/02/60/394930260.db2.gz SZFOXTVPAZMSCV-NWDGAFQWSA-N 1 0 266.348 2.280 10 30 CEEERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000178302973 395164646 /nfs/dbraw/zinc/16/46/46/395164646.db2.gz KGUGNKAFOFBRLA-AWEZNQCLSA-N 1 0 278.425 2.303 10 30 CEEERO N#Cc1cc(F)ccc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335303286 400352201 /nfs/dbraw/zinc/35/22/01/400352201.db2.gz WJHQYJMFLWANEC-UHFFFAOYSA-N 1 0 259.328 2.277 10 30 CEEERO N#Cc1cc(Br)ccc1NC[C@@H]1CC[NH2+]C1 ZINC000165307924 162344073 /nfs/dbraw/zinc/34/40/73/162344073.db2.gz HBRLYRZLTCXSIE-SECBINFHSA-N 1 0 280.169 2.342 10 30 CEEERO C=CCN(Cc1ccc(Cl)cc1)C(=O)CC[NH3+] ZINC000032107733 171699016 /nfs/dbraw/zinc/69/90/16/171699016.db2.gz IHVPPXWDLCCDTP-UHFFFAOYSA-N 1 0 252.745 2.203 10 30 CEEERO N#CCOc1cccc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038054759 174066467 /nfs/dbraw/zinc/06/64/67/174066467.db2.gz NDLQKDHCSSRUTJ-CQSZACIVSA-N 1 0 260.337 2.248 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1cccc(C)c1)N(CC#N)CC#N ZINC000042965771 174929494 /nfs/dbraw/zinc/92/94/94/174929494.db2.gz VDAGXCGYQQSXBQ-GJZGRUSLSA-N 1 0 256.353 2.123 10 30 CEEERO N#CCCN(Cc1cccnc1)[C@@H](C[NH3+])c1ccco1 ZINC000043334577 175010680 /nfs/dbraw/zinc/01/06/80/175010680.db2.gz VMBCBDILCUYPDZ-AWEZNQCLSA-N 1 0 270.336 2.090 10 30 CEEERO CN(Cc1sccc1C#CC[NH3+])Cc1ccccn1 ZINC000043683714 175091860 /nfs/dbraw/zinc/09/18/60/175091860.db2.gz KGCDHOULRLYBGB-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO CC[C@@H]1CO[C@@H](C)CN1Cc1sccc1C#CC[NH3+] ZINC000043683986 175092022 /nfs/dbraw/zinc/09/20/22/175092022.db2.gz XOCYGZSFEBVBFR-GXTWGEPZSA-N 1 0 278.421 2.058 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2nncs2)s1 ZINC000043685676 175093857 /nfs/dbraw/zinc/09/38/57/175093857.db2.gz VWOGAVBEESSBIV-UHFFFAOYSA-N 1 0 267.404 2.202 10 30 CEEERO Cn1ccnc1SCc1ccc(C#CC[NH3+])s1 ZINC000043685516 175094023 /nfs/dbraw/zinc/09/40/23/175094023.db2.gz KTGBYLBMEDXKBD-UHFFFAOYSA-N 1 0 263.391 2.084 10 30 CEEERO CCN(Cc1cc(C#CC[NH3+])cs1)C[C@@H](C)C#N ZINC000043689085 175095449 /nfs/dbraw/zinc/09/54/49/175095449.db2.gz MOGNZTOUOHPNOO-LBPRGKRZSA-N 1 0 261.394 2.040 10 30 CEEERO C[C@@H](CNc1ccc(N)cc1C#N)[NH+]1CCCCC1 ZINC000044989363 175285532 /nfs/dbraw/zinc/28/55/32/175285532.db2.gz QSUUOHNIQQOZKK-LBPRGKRZSA-N 1 0 258.369 2.427 10 30 CEEERO C[C@@](C#N)(CC[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000045179489 175324076 /nfs/dbraw/zinc/32/40/76/175324076.db2.gz PTDIYRHSFJMOSO-KRWDZBQOSA-N 1 0 269.392 2.469 10 30 CEEERO CCC[NH+]1CCN(CCCC[C@@](C)(C#N)NCC)CC1 ZINC000045306462 175355812 /nfs/dbraw/zinc/35/58/12/175355812.db2.gz RGLQKGBYPLIBNT-INIZCTEOSA-N 1 0 280.460 2.076 10 30 CEEERO CN[C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045317393 175358396 /nfs/dbraw/zinc/35/83/96/175358396.db2.gz GUWSLPSZIPLSAZ-ZFWWWQNUSA-N 1 0 267.417 2.015 10 30 CEEERO CC[C@@H](C)[N@H+](CCCC[C@@](C)(C#N)NC)CCOC ZINC000045317933 175358697 /nfs/dbraw/zinc/35/86/97/175358697.db2.gz VWZWFJHMZSVWOX-CABCVRRESA-N 1 0 269.433 2.405 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](CCOC)[C@@H](C)COC ZINC000045318901 175359124 /nfs/dbraw/zinc/35/91/24/175359124.db2.gz XTWJRVHXPHREPT-JKSUJKDBSA-N 1 0 299.459 2.032 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000659328859 415518860 /nfs/dbraw/zinc/51/88/60/415518860.db2.gz JLRRKIXBDQSQGN-MQYQWHSLSA-N 1 0 250.386 2.365 10 30 CEEERO COCCN(CCC#N)[C@@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000071222173 176087712 /nfs/dbraw/zinc/08/77/12/176087712.db2.gz RRLBDWRTJGCSHG-CHWSQXEVSA-N 1 0 281.425 2.307 10 30 CEEERO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1/C(N)=N/O ZINC000071266896 176100649 /nfs/dbraw/zinc/10/06/49/176100649.db2.gz KDWNIVVIGVVIKC-LBPRGKRZSA-N 1 0 265.332 2.295 10 30 CEEERO C=CCCOc1cc(C[NH2+]CCOC)ccc1OC ZINC000071274997 176106253 /nfs/dbraw/zinc/10/62/53/176106253.db2.gz LNNCCEIGHBQANL-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO C#CCOc1ccc(C[NH2+]CCOC)cc1C(F)(F)F ZINC000071398849 176151833 /nfs/dbraw/zinc/15/18/33/176151833.db2.gz SCXXBQCRXAPFCS-UHFFFAOYSA-N 1 0 287.281 2.453 10 30 CEEERO CC[C@H](CC#N)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071401450 176153944 /nfs/dbraw/zinc/15/39/44/176153944.db2.gz WYIXBXJOAIQPBL-ZIAGYGMSSA-N 1 0 259.353 2.275 10 30 CEEERO CCCCCCCCNS(=O)(=O)CC[NH2+]C1CC1 ZINC000072138158 176322997 /nfs/dbraw/zinc/32/29/97/176322997.db2.gz AQKCYPRFYAESIO-UHFFFAOYSA-N 1 0 276.446 2.018 10 30 CEEERO CCC[C@@H](C(=O)Nc1ccc(CC#N)cc1)[NH+](C)C ZINC000161276305 261242314 /nfs/dbraw/zinc/24/23/14/261242314.db2.gz SSTDSPJHYHSFSX-AWEZNQCLSA-N 1 0 259.353 2.421 10 30 CEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000128058613 264274010 /nfs/dbraw/zinc/27/40/10/264274010.db2.gz ZXXGEIMKBSPAGM-HUUCEWRRSA-N 1 0 263.385 2.156 10 30 CEEERO C=CCOc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000193558532 264666750 /nfs/dbraw/zinc/66/67/50/264666750.db2.gz RLHIFWWZGBKRSF-IUODEOHRSA-N 1 0 274.364 2.122 10 30 CEEERO CN(C)C(=[NH+]Cc1ccc([N+](=O)[O-])cc1Cl)N(C)C ZINC000184821493 264873071 /nfs/dbraw/zinc/87/30/71/264873071.db2.gz ZRLBJPCRQRWRCI-UHFFFAOYSA-N 1 0 284.747 2.227 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261579663 274919536 /nfs/dbraw/zinc/91/95/36/274919536.db2.gz POLAZZKVRVLWBK-GWCFXTLKSA-N 1 0 261.756 2.400 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(F)c1 ZINC000398988020 270364953 /nfs/dbraw/zinc/36/49/53/270364953.db2.gz GKQTVGYBBVTFPI-QEJZJMRPSA-N 1 0 274.339 2.290 10 30 CEEERO C[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1[NH3+] ZINC000229253762 274592455 /nfs/dbraw/zinc/59/24/55/274592455.db2.gz AZIXLVJSWSEGAZ-CABZTGNLSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@H]1CN(c2ccc(Br)cc2C#N)C[C@@H]1[NH3+] ZINC000235688494 274592590 /nfs/dbraw/zinc/59/25/90/274592590.db2.gz AYBFGHQUXSMOPV-KWQFWETISA-N 1 0 280.169 2.104 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261578992 274923110 /nfs/dbraw/zinc/92/31/10/274923110.db2.gz PHOJZQOUEXJTLT-AAEUAGOBSA-N 1 0 261.756 2.400 10 30 CEEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261729802 274930611 /nfs/dbraw/zinc/93/06/11/274930611.db2.gz QZVBRWSODXXJCV-GLQYFDAESA-N 1 0 278.359 2.280 10 30 CEEERO C[NH2+]CCC1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000124879443 277266277 /nfs/dbraw/zinc/26/62/77/277266277.db2.gz SHSXZYCFKGRGFK-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO C[C@@H]1[C@@H]([NH3+])CCN1c1cccc(Br)c1C#N ZINC000261569403 279086298 /nfs/dbraw/zinc/08/62/98/279086298.db2.gz GHIWYEQDWPIFQR-KCJUWKMLSA-N 1 0 280.169 2.247 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)c2sccc2C#N)[C@@H](C)C1 ZINC000155641694 289179670 /nfs/dbraw/zinc/17/96/70/289179670.db2.gz WIJXAYHDDOSZQM-JQWIXIFHSA-N 1 0 277.393 2.078 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000126634548 289780267 /nfs/dbraw/zinc/78/02/67/289780267.db2.gz CWXLYSHYAPYUKF-CMPLNLGQSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382419337 321839578 /nfs/dbraw/zinc/83/95/78/321839578.db2.gz APCDYEDSMDCXNQ-QWRGUYRKSA-N 1 0 260.297 2.148 10 30 CEEERO Cc1nc(N[C@@H]2CC[C@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000382465670 321840310 /nfs/dbraw/zinc/84/03/10/321840310.db2.gz LQZKXNFLFSWHME-GXSJLCMTSA-N 1 0 264.760 2.454 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000185372955 329271404 /nfs/dbraw/zinc/27/14/04/329271404.db2.gz XJTXTRPIXKPOPK-UONOGXRCSA-N 1 0 250.386 2.285 10 30 CEEERO CCCCCCCC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000116787872 329545245 /nfs/dbraw/zinc/54/52/45/329545245.db2.gz OPEOSHSEUIIHNS-CQSZACIVSA-N 1 0 270.417 2.136 10 30 CEEERO C[NH+]=C(NCc1ccco1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261629064 329973572 /nfs/dbraw/zinc/97/35/72/329973572.db2.gz CDSLQURBBBTAAK-BETUJISGSA-N 1 0 261.369 2.477 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@H]2CCOC2)cc1Cl ZINC000261985399 329994311 /nfs/dbraw/zinc/99/43/11/329994311.db2.gz JPWGWGGRWYZKDF-SECBINFHSA-N 1 0 283.759 2.112 10 30 CEEERO [NH2+]=C(Nc1cc(F)ccc1F)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000262316927 330005769 /nfs/dbraw/zinc/00/57/69/330005769.db2.gz URXWLRAONPWHQE-NDMJEZRESA-N 1 0 281.306 2.259 10 30 CEEERO Cc1cccnc1C(C)(C)C[NH+]=C(N(C)C)N(C)C ZINC000262402171 330008030 /nfs/dbraw/zinc/00/80/30/330008030.db2.gz VIGGXCPYDKAPBQ-UHFFFAOYSA-N 1 0 262.401 2.147 10 30 CEEERO [NH2+]=C(N[C@H]1COc2ccc(F)cc21)NC1CCCCC1 ZINC000262365747 330010927 /nfs/dbraw/zinc/01/09/27/330010927.db2.gz HQOKSVLBIRLSTQ-ZDUSSCGKSA-N 1 0 277.343 2.496 10 30 CEEERO COC1CCC(C)(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000262453428 330014163 /nfs/dbraw/zinc/01/41/63/330014163.db2.gz KJAFPOPESJLJJQ-UHFFFAOYSA-N 1 0 276.384 2.404 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000262452910 330014193 /nfs/dbraw/zinc/01/41/93/330014193.db2.gz WHXURSBCMZEMPA-REWJHTLYSA-N 1 0 279.428 2.298 10 30 CEEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262476189 330016108 /nfs/dbraw/zinc/01/61/08/330016108.db2.gz ZVKPAOLXESLKIU-XJFOESAGSA-N 1 0 281.444 2.400 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCC1(C#N)CCC1 ZINC000263074452 330042213 /nfs/dbraw/zinc/04/22/13/330042213.db2.gz HASVBCBOEZUYBM-UHFFFAOYSA-N 1 0 272.352 2.253 10 30 CEEERO C[NH+]=C(NCc1scnc1C)N[C@@H](C)C(C)C ZINC000263250543 330050652 /nfs/dbraw/zinc/05/06/52/330050652.db2.gz OORYDFOJZHRXCJ-VIFPVBQESA-N 1 0 254.403 2.161 10 30 CEEERO C=C(C)C[C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184376036 333127825 /nfs/dbraw/zinc/12/78/25/333127825.db2.gz ICTXKUJBXSFUGF-HUUCEWRRSA-N 1 0 296.455 2.140 10 30 CEEERO C=C(C)C[NH+]1CCC(N(C)CC(=O)OC(C)(C)C)CC1 ZINC000191980394 333228065 /nfs/dbraw/zinc/22/80/65/333228065.db2.gz KMPFBJJONLVTJX-UHFFFAOYSA-N 1 0 282.428 2.300 10 30 CEEERO C=C(C)COCC[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000125803083 333574011 /nfs/dbraw/zinc/57/40/11/333574011.db2.gz PUVFKWRZFJUFOT-SFHVURJKSA-N 1 0 288.435 2.486 10 30 CEEERO CCC[C@H](C)C(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586262 521002268 /nfs/dbraw/zinc/00/22/68/521002268.db2.gz SPCJDHUCBDNHGF-ZDUSSCGKSA-N 1 0 258.365 2.049 10 30 CEEERO CCCC[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000050890990 521005956 /nfs/dbraw/zinc/00/59/56/521005956.db2.gz QHWCXUFYCZHKOH-CYBMUJFWSA-N 1 0 258.365 2.305 10 30 CEEERO C[NH+](C)C[C@@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000061645836 521829489 /nfs/dbraw/zinc/82/94/89/521829489.db2.gz WCRXMTXBMHKYIR-ZDUSSCGKSA-N 1 0 263.385 2.013 10 30 CEEERO C#CCOc1ccc2ccccc2c1C[NH2+]CCCO ZINC000045946057 518331048 /nfs/dbraw/zinc/33/10/48/518331048.db2.gz IMCYBKFHBPGGLJ-UHFFFAOYSA-N 1 0 269.344 2.324 10 30 CEEERO C#Cc1cccc(NC(=O)[C@]2(CC)CCC[NH2+]C2)c1 ZINC000062852895 518365626 /nfs/dbraw/zinc/36/56/26/518365626.db2.gz YZDWRJWXXFMGSO-MRXNPFEDSA-N 1 0 256.349 2.386 10 30 CEEERO CC(C)(C)[NH2+]Cc1ccc(-n2cnc(C#N)n2)c(F)c1 ZINC000062739032 518764119 /nfs/dbraw/zinc/76/41/19/518764119.db2.gz WVEVMIZZPVZZES-UHFFFAOYSA-N 1 0 273.315 2.166 10 30 CEEERO C=CCNC(=O)COc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731497 518896627 /nfs/dbraw/zinc/89/66/27/518896627.db2.gz QUHZFAFRUJSWRJ-UHFFFAOYSA-N 1 0 276.380 2.113 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061362386 518923226 /nfs/dbraw/zinc/92/32/26/518923226.db2.gz GIUCZJYHGZVSCE-CMPLNLGQSA-N 1 0 264.394 2.406 10 30 CEEERO C=C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000062732134 519294532 /nfs/dbraw/zinc/29/45/32/519294532.db2.gz IHBXDFRYLSSQMC-LLVKDONJSA-N 1 0 280.324 2.284 10 30 CEEERO CC(C)CN(CCC#N)C(=O)c1c[nH+]c(NN)c(Cl)c1 ZINC000051094690 519714831 /nfs/dbraw/zinc/71/48/31/519714831.db2.gz BJEHFFHGRBPUGY-UHFFFAOYSA-N 1 0 295.774 2.032 10 30 CEEERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@H](C)C#N)c1 ZINC000050517138 519727080 /nfs/dbraw/zinc/72/70/80/519727080.db2.gz NIPMKBBOBDJJGS-SNVBAGLBSA-N 1 0 263.297 2.384 10 30 CEEERO CCN(C(=O)c1cncc(C#CC[NH3+])c1)C1CCCCC1 ZINC000049629330 520117497 /nfs/dbraw/zinc/11/74/97/520117497.db2.gz ADYGQEZKDFHOCR-UHFFFAOYSA-N 1 0 285.391 2.187 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000068611940 520127980 /nfs/dbraw/zinc/12/79/80/520127980.db2.gz BFIOWRIEMPWZNG-GDBMZVCRSA-N 1 0 274.412 2.226 10 30 CEEERO CCCC[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000050890994 521005777 /nfs/dbraw/zinc/00/57/77/521005777.db2.gz FSDZTAGNUUMWBP-CYBMUJFWSA-N 1 0 258.365 2.305 10 30 CEEERO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183124106 522045336 /nfs/dbraw/zinc/04/53/36/522045336.db2.gz KHXPTZXRDORCJW-OCCSQVGLSA-N 1 0 290.363 2.103 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000055070149 522118524 /nfs/dbraw/zinc/11/85/24/522118524.db2.gz UNZLFSIFHJTRMF-SJORKVTESA-N 1 0 294.487 2.463 10 30 CEEERO CN[C@](C#N)(C[NH+](CC(C)C)CC(C)C)C1CC1 ZINC000069078989 522509782 /nfs/dbraw/zinc/50/97/82/522509782.db2.gz VORKLOWGFHUQAC-OAHLLOKOSA-N 1 0 251.418 2.492 10 30 CEEERO C[N@@H+](Cc1cccc(C#CCCO)c1)C[C@H]1CCCO1 ZINC000049614161 523291904 /nfs/dbraw/zinc/29/19/04/523291904.db2.gz WAHGUTWUAOOBAZ-QGZVFWFLSA-N 1 0 273.376 2.031 10 30 CEEERO COCC[N@H+](CC(C)C)[C@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068612513 523680972 /nfs/dbraw/zinc/68/09/72/523680972.db2.gz IOTPHVDTTXKRMA-ZBFHGGJFSA-N 1 0 281.444 2.404 10 30 CEEERO CC[C@@]1(C(=O)N(CC#N)Cc2ccccc2)CCC[NH2+]C1 ZINC000062858211 523690176 /nfs/dbraw/zinc/69/01/76/523690176.db2.gz NMLLQEDNHRIMLK-QGZVFWFLSA-N 1 0 285.391 2.319 10 30 CEEERO CC[C@@]1(C(=O)Nc2sc3c(c2C#N)CCC3)CC[NH2+]C1 ZINC000062900459 523699052 /nfs/dbraw/zinc/69/90/52/523699052.db2.gz ALINDNKZQADEPE-OAHLLOKOSA-N 1 0 289.404 2.437 10 30 CEEERO C[C@H]1CCC[N@H+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049616041 524089123 /nfs/dbraw/zinc/08/91/23/524089123.db2.gz OMHXMJYGUYSVIZ-HNNXBMFYSA-N 1 0 273.376 2.141 10 30 CEEERO C[C@@H](C1CC1)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049618490 524319791 /nfs/dbraw/zinc/31/97/91/524319791.db2.gz HCNUDQFHMYJUBX-AWEZNQCLSA-N 1 0 273.376 2.140 10 30 CEEERO C[C@@H](CC[NH+](C)C)NCc1cccc(OCC#N)c1 ZINC000049554009 524475858 /nfs/dbraw/zinc/47/58/58/524475858.db2.gz DLDQWADPNVFWHN-ZDUSSCGKSA-N 1 0 261.369 2.019 10 30 CEEERO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(N)cc1C#N ZINC000049500926 524607138 /nfs/dbraw/zinc/60/71/38/524607138.db2.gz MPFBZWCJLOLKON-LBPRGKRZSA-N 1 0 258.369 2.427 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)[C@H]1C ZINC000050568539 526266630 /nfs/dbraw/zinc/26/66/30/526266630.db2.gz XCMGYNHWYUXWQT-STQMWFEESA-N 1 0 288.366 2.397 10 30 CEEERO N#CCOc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000050949958 526474724 /nfs/dbraw/zinc/47/47/24/526474724.db2.gz NJZPLABQAWGANR-UHFFFAOYSA-N 1 0 287.363 2.307 10 30 CEEERO N#Cc1cc(C[NH2+]CCc2ccc(F)cc2)ccn1 ZINC000068751213 526550268 /nfs/dbraw/zinc/55/02/68/526550268.db2.gz MWDDADVISDYQCK-UHFFFAOYSA-N 1 0 255.296 2.425 10 30 CEEERO [NH3+]CC#Cc1cc(CN2CCCCCC2=O)ccc1F ZINC000049609993 527146478 /nfs/dbraw/zinc/14/64/78/527146478.db2.gz INWIKGBHFOFKOO-UHFFFAOYSA-N 1 0 274.339 2.039 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2ccoc2)c1 ZINC000061692007 527150362 /nfs/dbraw/zinc/15/03/62/527150362.db2.gz YBSQTXGEOPYZFC-UHFFFAOYSA-N 1 0 274.707 2.496 10 30 CEEERO [NH3+]CC#Cc1ccccc1CNC(=O)c1ccc(Cl)o1 ZINC000049586357 527154628 /nfs/dbraw/zinc/15/46/28/527154628.db2.gz LVJTYUQXAFLFAT-UHFFFAOYSA-N 1 0 288.734 2.173 10 30 CEEERO C[NH2+][C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000116942615 622761161 /nfs/dbraw/zinc/76/11/61/622761161.db2.gz SQDXQSSVLYMXGR-JTQLQIEISA-N 1 0 280.169 2.119 10 30 CEEERO C[NH2+][C@@H](C)CNc1ccc(C#N)cc1Br ZINC000261537063 623324534 /nfs/dbraw/zinc/32/45/34/623324534.db2.gz USAWCJOCGYOPEL-QMMMGPOBSA-N 1 0 268.158 2.341 10 30 CEEERO C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@H]1C[NH3+] ZINC000300118832 624702230 /nfs/dbraw/zinc/70/22/30/624702230.db2.gz ALGOKIGYVRIKDP-HTQZYQBOSA-N 1 0 270.789 2.089 10 30 CEEERO CC[C@H]1CN(c2nc(Cl)c(C#N)s2)CC[C@H]1[NH3+] ZINC000300124218 624726445 /nfs/dbraw/zinc/72/64/45/624726445.db2.gz GVDDXOKAOOBGLO-JGVFFNPUSA-N 1 0 270.789 2.232 10 30 CEEERO N#Cc1ncccc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000261740857 629174479 /nfs/dbraw/zinc/17/44/79/629174479.db2.gz LXUTVUXLKZAOPC-MRXNPFEDSA-N 1 0 264.332 2.252 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000229600487 639709455 /nfs/dbraw/zinc/70/94/55/639709455.db2.gz XAMWKEIHZLEHFT-MWLCHTKSSA-N 1 0 260.297 2.019 10 30 CEEERO CC[NH+]=C(NCC1(O)CCC1)NC1CCC(CC)CC1 ZINC000086483535 643342036 /nfs/dbraw/zinc/34/20/36/643342036.db2.gz HYKDXELCXPBVRX-UHFFFAOYSA-N 1 0 281.444 2.425 10 30 CEEERO C=C[C@](C)(O)C[N@H+](CCCOC)Cc1cccc(OC)c1 ZINC000036032081 361824541 /nfs/dbraw/zinc/82/45/41/361824541.db2.gz ZJLHQZNWAGLDTQ-KRWDZBQOSA-N 1 0 293.407 2.471 10 30 CEEERO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000124670957 365657715 /nfs/dbraw/zinc/65/77/15/365657715.db2.gz GEPRRZSSGZIEEB-STQMWFEESA-N 1 0 289.379 2.046 10 30 CEEERO C#C[C@H]([NH3+])c1cccc(C)c1I ZINC000235804424 344592851 /nfs/dbraw/zinc/59/28/51/344592851.db2.gz GMDJZEPCILHQCT-VIFPVBQESA-N 1 0 271.101 2.233 10 30 CEEERO C#CCOc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000052066524 362463882 /nfs/dbraw/zinc/46/38/82/362463882.db2.gz DTTTWEWZWYBFPX-QMMMGPOBSA-N 1 0 254.127 2.481 10 30 CEEERO CC(C)N(CC[NH+](C(C)C)C(C)C)C(=O)CC#N ZINC000584590951 344960370 /nfs/dbraw/zinc/96/03/70/344960370.db2.gz AYHZNBWTBPSETA-UHFFFAOYSA-N 1 0 253.390 2.256 10 30 CEEERO N#Cc1ccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000594697161 345673780 /nfs/dbraw/zinc/67/37/80/345673780.db2.gz NANDHCXZHSQZBW-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C#N)cc1F ZINC000094460859 136513865 /nfs/dbraw/zinc/51/38/65/136513865.db2.gz CVZAKXFLHOFAMD-DGCLKSJQSA-N 1 0 259.328 2.370 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085358869 179031337 /nfs/dbraw/zinc/03/13/37/179031337.db2.gz WMWOLQPJYHACIK-CABZTGNLSA-N 1 0 261.300 2.153 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085369798 179039599 /nfs/dbraw/zinc/03/95/99/179039599.db2.gz JOEABTKQFRETRJ-CABCVRRESA-N 1 0 271.364 2.056 10 30 CEEERO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085374659 179043573 /nfs/dbraw/zinc/04/35/73/179043573.db2.gz CMZMRDQOGNMVEW-KBPBESRZSA-N 1 0 257.337 2.039 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000061892457 362697487 /nfs/dbraw/zinc/69/74/87/362697487.db2.gz DCEXZSUFMDOMPX-JQWIXIFHSA-N 1 0 275.318 2.295 10 30 CEEERO CC(C)(C)[NH2+]C[C@H](O)Cc1cccc2[nH]c(C#N)cc21 ZINC000098088230 185685411 /nfs/dbraw/zinc/68/54/11/185685411.db2.gz VVQXZVPXEOJINA-CYBMUJFWSA-N 1 0 271.364 2.331 10 30 CEEERO C[C@H]1CC[C@H](Nc2nc3c(cc2C#N)CCCC3)C[NH2+]1 ZINC000600955092 346716293 /nfs/dbraw/zinc/71/62/93/346716293.db2.gz JWFRDTSUUCINJM-FZMZJTMJSA-N 1 0 270.380 2.384 10 30 CEEERO Cc1cc(C)c(C#N)c(N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000600956683 346717303 /nfs/dbraw/zinc/71/73/03/346717303.db2.gz WZLHUMNMSLJNQL-IYBDPMFKSA-N 1 0 270.380 2.006 10 30 CEEERO N#Cc1cccnc1NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000600961897 346720020 /nfs/dbraw/zinc/72/00/20/346720020.db2.gz WLARULRSIQYNAV-OAHLLOKOSA-N 1 0 266.348 2.325 10 30 CEEERO C=C(Br)COc1ccc(C)nc1C[NH2+]C ZINC000085972527 179207273 /nfs/dbraw/zinc/20/72/73/179207273.db2.gz DCGRYLFLDYYEGX-UHFFFAOYSA-N 1 0 271.158 2.397 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000085920744 179200746 /nfs/dbraw/zinc/20/07/46/179200746.db2.gz AGCYEKCVSBSDHN-AAEUAGOBSA-N 1 0 267.336 2.183 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000085986599 179211918 /nfs/dbraw/zinc/21/19/18/179211918.db2.gz VGTRHWOAVFOVOV-ZFWWWQNUSA-N 1 0 262.328 2.338 10 30 CEEERO C[C@@H](Cn1ccnc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037128 179221487 /nfs/dbraw/zinc/22/14/87/179221487.db2.gz OARYXPNUOSNIIP-OOHWJJMZSA-N 1 0 280.375 2.485 10 30 CEEERO COc1ccc(C[NH2+]C[C@H]2CCCCN2C)cc1C#N ZINC000087824049 179493894 /nfs/dbraw/zinc/49/38/94/179493894.db2.gz WITXTONQKSTQAY-OAHLLOKOSA-N 1 0 273.380 2.141 10 30 CEEERO N#Cc1ccccc1[C@H]1CNc2ccccc2N1CC[NH3+] ZINC000616584686 348526645 /nfs/dbraw/zinc/52/66/45/348526645.db2.gz LJQBCSHDPUZTKA-QGZVFWFLSA-N 1 0 278.359 2.490 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NC[C@@H]([NH3+])C1CC1 ZINC000129309657 187422856 /nfs/dbraw/zinc/42/28/56/187422856.db2.gz XTFUDTACLBUENU-SECBINFHSA-N 1 0 270.258 2.121 10 30 CEEERO CC(C)N(CCC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359666 180140545 /nfs/dbraw/zinc/14/05/45/180140545.db2.gz FOOFKESTSZXGJQ-KKUMJFAQSA-N 1 0 277.412 2.448 10 30 CEEERO Cc1cccc(C)c1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091461106 180161336 /nfs/dbraw/zinc/16/13/36/180161336.db2.gz HQONEFSBUFMOCO-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO Cc1ccc(F)c(NC(=O)c2ccncc2C#CC[NH3+])c1 ZINC000091461690 180161826 /nfs/dbraw/zinc/16/18/26/180161826.db2.gz GRJLMPOAHHRLCG-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CC[C@H]1CCCC[C@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462174 180162521 /nfs/dbraw/zinc/16/25/21/180162521.db2.gz AMFRPGZUGKMQIK-XJKSGUPXSA-N 1 0 285.391 2.090 10 30 CEEERO C=CCCC[C@@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612729 180207185 /nfs/dbraw/zinc/20/71/85/180207185.db2.gz KXRDOSQHLVGMMV-CABCVRRESA-N 1 0 254.418 2.432 10 30 CEEERO C=CCCC[C@@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612730 180207392 /nfs/dbraw/zinc/20/73/92/180207392.db2.gz KXRDOSQHLVGMMV-HUUCEWRRSA-N 1 0 254.418 2.432 10 30 CEEERO C=CC[C@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000091613187 180207690 /nfs/dbraw/zinc/20/76/90/180207690.db2.gz ZVWJKQCSJUBCIG-GJZGRUSLSA-N 1 0 254.418 2.432 10 30 CEEERO C[C@H]1C[N@H+](CC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000091528022 180179828 /nfs/dbraw/zinc/17/98/28/180179828.db2.gz FNDQNUJLSADDCS-TXEJJXNPSA-N 1 0 257.337 2.085 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091547300 180187640 /nfs/dbraw/zinc/18/76/40/180187640.db2.gz HHEXLNBGWWHFIA-CHWSQXEVSA-N 1 0 287.363 2.435 10 30 CEEERO CC[NH2+][C@H](C)c1cccn1Cc1ccnc(C#N)c1 ZINC000091801567 180259467 /nfs/dbraw/zinc/25/94/67/180259467.db2.gz HQQKQGZKRGGSJH-GFCCVEGCSA-N 1 0 254.337 2.474 10 30 CEEERO C[N@H+](Cc1cccnc1C#N)C1CCC2(CC1)OCCO2 ZINC000091853719 180274003 /nfs/dbraw/zinc/27/40/03/180274003.db2.gz BJKBMBSKVAARGO-UHFFFAOYSA-N 1 0 287.363 2.071 10 30 CEEERO Cc1cc(C)c(C#N)c(N(C)C2CCC([NH3+])CC2)n1 ZINC000091849465 180270875 /nfs/dbraw/zinc/27/08/75/180270875.db2.gz QEHONUSHVJWWLM-UHFFFAOYSA-N 1 0 258.369 2.276 10 30 CEEERO C=C(C)C[C@H]([NH2+]CCC)C(C)(C)N1CCOCC1 ZINC000092130084 180329712 /nfs/dbraw/zinc/32/97/12/180329712.db2.gz QLUBEOZICPWWQR-AWEZNQCLSA-N 1 0 254.418 2.432 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](C)C[NH2+]C ZINC000092134414 180332152 /nfs/dbraw/zinc/33/21/52/180332152.db2.gz BPLRRZWUQLZDED-CYBMUJFWSA-N 1 0 273.380 2.152 10 30 CEEERO C[C@H]1C[N@H+](CCOc2ccc(C#CCCO)cc2)C[C@H]1C ZINC000092087055 180321059 /nfs/dbraw/zinc/32/10/59/180321059.db2.gz IZNMHCSMNLWGIE-IYBDPMFKSA-N 1 0 287.403 2.387 10 30 CEEERO CNc1cc[nH+]c(COc2ccc(C#N)cc2[N+](=O)[O-])c1 ZINC000092420563 180381950 /nfs/dbraw/zinc/38/19/50/180381950.db2.gz FUMBHWKWYBERCM-UHFFFAOYSA-N 1 0 284.275 2.482 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@H]1c1ccc(OC)cc1 ZINC000092474521 180393857 /nfs/dbraw/zinc/39/38/57/180393857.db2.gz WLNGPCUNDNCEMT-HNNXBMFYSA-N 1 0 274.364 2.134 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc2c(O)cccc12 ZINC000092474134 180394228 /nfs/dbraw/zinc/39/42/28/180394228.db2.gz NNHGSGMGDKKMNQ-UHFFFAOYSA-N 1 0 256.305 2.260 10 30 CEEERO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C#N)c2ccccc2)C1 ZINC000110250325 186289080 /nfs/dbraw/zinc/28/90/80/186289080.db2.gz FTHLJRKPCTXLFK-JKSUJKDBSA-N 1 0 285.391 2.236 10 30 CEEERO N#Cc1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110793328 186325534 /nfs/dbraw/zinc/32/55/34/186325534.db2.gz QENCPPZQCAVORA-LLVKDONJSA-N 1 0 274.324 2.268 10 30 CEEERO N#CCc1nc2ccccc2n1[C@H](C[NH3+])c1ccccn1 ZINC000110951734 186336999 /nfs/dbraw/zinc/33/69/99/186336999.db2.gz OMNZEXJORYNAEZ-OAHLLOKOSA-N 1 0 277.331 2.045 10 30 CEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000130744260 365987900 /nfs/dbraw/zinc/98/79/00/365987900.db2.gz UNVXEBOFOLMONL-CYBMUJFWSA-N 1 0 261.369 2.361 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](CC)CCOCC ZINC000111121573 186354736 /nfs/dbraw/zinc/35/47/36/186354736.db2.gz OQRYWEYBCYOVNK-CQSZACIVSA-N 1 0 255.406 2.017 10 30 CEEERO CCOCC[N@H+](CC)CCC[C@](C)(C#N)NC(C)C ZINC000111121625 186355576 /nfs/dbraw/zinc/35/55/76/186355576.db2.gz SFMXOFPJHPOAKI-OAHLLOKOSA-N 1 0 269.433 2.405 10 30 CEEERO C=CCN(CC=C)C[C@@]1(C[NH2+]C2CC2)CCCOC1 ZINC000111325090 186398463 /nfs/dbraw/zinc/39/84/63/186398463.db2.gz QVRAMWBDPZDVFQ-INIZCTEOSA-N 1 0 264.413 2.209 10 30 CEEERO C#Cc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)c1 ZINC000111243310 186374893 /nfs/dbraw/zinc/37/48/93/186374893.db2.gz GCGOPYJEKWVOQA-ZDUSSCGKSA-N 1 0 282.265 2.148 10 30 CEEERO CCCN(c1c(F)cc(C#N)cc1F)[C@H]1CC[NH2+]C1 ZINC000133681609 187701070 /nfs/dbraw/zinc/70/10/70/187701070.db2.gz BNEOIVAAAXNMCD-NSHDSACASA-N 1 0 265.307 2.415 10 30 CEEERO CC#CCC[N@H+](C)C[C@H](c1cccs1)N1CCOCC1 ZINC000155527981 188212093 /nfs/dbraw/zinc/21/20/93/188212093.db2.gz CBLILRLYCPTSCG-OAHLLOKOSA-N 1 0 292.448 2.467 10 30 CEEERO C=CCCCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000132394710 366140079 /nfs/dbraw/zinc/14/00/79/366140079.db2.gz JVHYEUDTBUAPAY-KGLIPLIRSA-N 1 0 267.417 2.323 10 30 CEEERO N#Cc1cc(F)c(N2CCC[C@H](C[NH3+])C2)c(F)c1 ZINC000133668606 283096866 /nfs/dbraw/zinc/09/68/66/283096866.db2.gz VFHIGAPACQRWBB-SECBINFHSA-N 1 0 251.280 2.012 10 30 CEEERO N#Cc1cc2c(nc1N1CC[C@H]3[NH2+]CC[C@H]3C1)CCCC2 ZINC000261609933 283116638 /nfs/dbraw/zinc/11/66/38/283116638.db2.gz DSPVKDQTJZJLGD-DZGCQCFKSA-N 1 0 282.391 2.020 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(C#N)cc1 ZINC000175000815 188928635 /nfs/dbraw/zinc/92/86/35/188928635.db2.gz HBRFFPOFIAGXMA-IAGOWNOFSA-N 1 0 297.402 2.186 10 30 CEEERO C=CCOc1ccccc1OC[C@H](O)C[NH2+]C(C)(C)C ZINC000139967746 366558813 /nfs/dbraw/zinc/55/88/13/366558813.db2.gz PWJVZYMAABKGAO-CYBMUJFWSA-N 1 0 279.380 2.379 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc2c(cc1C#N)CCC2 ZINC000092631256 364090301 /nfs/dbraw/zinc/09/03/01/364090301.db2.gz BBZRPORFMSHLDW-HNNXBMFYSA-N 1 0 284.407 2.362 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1C#N ZINC000113268948 364882177 /nfs/dbraw/zinc/88/21/77/364882177.db2.gz LZGAICADFKJEJU-BLLLJJGKSA-N 1 0 273.355 2.366 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cn1 ZINC000116314571 365049867 /nfs/dbraw/zinc/04/98/67/365049867.db2.gz JJAJVTVDBFJFIW-CYBMUJFWSA-N 1 0 284.338 2.420 10 30 CEEERO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000120198546 365387283 /nfs/dbraw/zinc/38/72/83/365387283.db2.gz HQKUCZQEHAMNFE-CYBMUJFWSA-N 1 0 297.362 2.042 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000245478071 370826111 /nfs/dbraw/zinc/82/61/11/370826111.db2.gz UYUATFTVFYXVOS-CVEARBPZSA-N 1 0 295.471 2.216 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000245478072 370827090 /nfs/dbraw/zinc/82/70/90/370827090.db2.gz UYUATFTVFYXVOS-HZPDHXFCSA-N 1 0 295.471 2.216 10 30 CEEERO CCCC(=O)N[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000173878612 367954417 /nfs/dbraw/zinc/95/44/17/367954417.db2.gz PGGJTNLROJAWGB-ZDUSSCGKSA-N 1 0 283.441 2.014 10 30 CEEERO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000180037346 368365017 /nfs/dbraw/zinc/36/50/17/368365017.db2.gz IUYVGJWBFLNEJZ-BFHYXJOUSA-N 1 0 252.402 2.339 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246082425 370907266 /nfs/dbraw/zinc/90/72/66/370907266.db2.gz MYUPLZWDKQLPBQ-FGTMMUONSA-N 1 0 299.418 2.150 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1C#N ZINC000247210839 371076816 /nfs/dbraw/zinc/07/68/16/371076816.db2.gz LZGAICADFKJEJU-WBMJQRKESA-N 1 0 273.355 2.366 10 30 CEEERO Cc1nc(N2CCC[C@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000261567404 371652104 /nfs/dbraw/zinc/65/21/04/371652104.db2.gz INVSQZGATLZWGH-SNVBAGLBSA-N 1 0 264.760 2.090 10 30 CEEERO N#Cc1cccc(N[C@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382443184 375186382 /nfs/dbraw/zinc/18/63/82/375186382.db2.gz HGXSKFWTSDSLIJ-MNOVXSKESA-N 1 0 260.297 2.148 10 30 CEEERO N#Cc1cccc(N[C@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382482404 375187562 /nfs/dbraw/zinc/18/75/62/375187562.db2.gz XMYRIDAMKRLTFE-ONGXEEELSA-N 1 0 260.297 2.006 10 30 CEEERO CC[N@@H+]1CC[C@H](Nc2ncc(Br)cc2C#N)C1 ZINC000389382018 375303346 /nfs/dbraw/zinc/30/33/46/375303346.db2.gz NAOUUVRCAJPZKV-NSHDSACASA-N 1 0 295.184 2.222 10 30 CEEERO O=C(NC[C@H]1CCc2nccn2C1)c1cnc2ccccn12 ZINC000328619364 376862946 /nfs/dbraw/zinc/86/29/46/376862946.db2.gz FURSBXHUILJKIL-GFCCVEGCSA-N 1 0 295.346 2.098 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1cccs1)[C@H](C)CC ZINC000036103421 542266939 /nfs/dbraw/zinc/26/69/39/542266939.db2.gz BBIODDJAVDPKQT-KGLIPLIRSA-N 1 0 281.421 2.359 10 30 CEEERO C[NH2+]CC1CC(Oc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337743 184783593 /nfs/dbraw/zinc/78/35/93/184783593.db2.gz KGYLHJOJUHJBKA-UHFFFAOYSA-N 1 0 285.269 2.349 10 30 CEEERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1sccc1C#N ZINC000094699579 184842612 /nfs/dbraw/zinc/84/26/12/184842612.db2.gz RHSDMVOGKHBZSE-JTQLQIEISA-N 1 0 251.355 2.179 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)n1ccnc1C#N ZINC000094936558 184895915 /nfs/dbraw/zinc/89/59/15/184895915.db2.gz LWAWINQDPVFTLO-UKRRQHHQSA-N 1 0 254.337 2.390 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CC[NH2+]1 ZINC000034456927 394493819 /nfs/dbraw/zinc/49/38/19/394493819.db2.gz RDQNANLIGIAWKG-VIFPVBQESA-N 1 0 269.270 2.375 10 30 CEEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261578780 394603306 /nfs/dbraw/zinc/60/33/06/394603306.db2.gz PBHNPRUUAJHMJX-CYZMBNFOSA-N 1 0 261.756 2.385 10 30 CEEERO N#Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc2ccccc12 ZINC000083798767 394640620 /nfs/dbraw/zinc/64/06/20/394640620.db2.gz SMFDDIDMOUELGI-CQSZACIVSA-N 1 0 278.359 2.391 10 30 CEEERO C#CCCCCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000374515746 395083425 /nfs/dbraw/zinc/08/34/25/395083425.db2.gz WXYQXLMQRMDWJQ-HUUCEWRRSA-N 1 0 262.397 2.265 10 30 CEEERO N#Cc1ccc(Cl)cc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174683606 395127561 /nfs/dbraw/zinc/12/75/61/395127561.db2.gz CVYZUCNKWXOVMI-AWEZNQCLSA-N 1 0 293.798 2.470 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)cc1 ZINC000398795578 395238463 /nfs/dbraw/zinc/23/84/63/395238463.db2.gz PIDNNEWRBSEMEI-XHSDSOJGSA-N 1 0 256.349 2.151 10 30 CEEERO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000183226632 395252977 /nfs/dbraw/zinc/25/29/77/395252977.db2.gz UMSDGKVBJFBFGM-SWLSCSKDSA-N 1 0 287.363 2.044 10 30 CEEERO COC[C@@]1(CNc2ccc(Cl)cc2C#N)CCC[NH2+]1 ZINC000261591522 153783155 /nfs/dbraw/zinc/78/31/55/153783155.db2.gz LZFOWLMWJYFANB-AWEZNQCLSA-N 1 0 279.771 2.392 10 30 CEEERO CCc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CC2 ZINC000181938363 165359212 /nfs/dbraw/zinc/35/92/12/165359212.db2.gz VRQGHPIZSGWMHJ-SWLSCSKDSA-N 1 0 295.390 2.378 10 30 CEEERO COc1cccc([C@H](C[NH2+]CCCC#N)N(C)C)c1 ZINC000020070573 170982557 /nfs/dbraw/zinc/98/25/57/170982557.db2.gz GROOMFUFKSFDKN-HNNXBMFYSA-N 1 0 261.369 2.191 10 30 CEEERO CN(CCC#N)C(=O)C[N@H+](C)C1CCCCCC1 ZINC000035175678 172028409 /nfs/dbraw/zinc/02/84/09/172028409.db2.gz WVTOEABCIXMQCV-UHFFFAOYSA-N 1 0 251.374 2.013 10 30 CEEERO C#CC[NH+]1CCC(Nc2ccc3c(c2)CCO3)CC1 ZINC000037313448 173116197 /nfs/dbraw/zinc/11/61/97/173116197.db2.gz MCEFNWGCPFLVBV-UHFFFAOYSA-N 1 0 256.349 2.131 10 30 CEEERO N#CC1(NC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000037330019 173130935 /nfs/dbraw/zinc/13/09/35/173130935.db2.gz QVHIWBTZGKAYGX-UHFFFAOYSA-N 1 0 255.365 2.297 10 30 CEEERO C[C@@H]([NH2+]CCc1nccn1C)c1cccc(C#N)c1 ZINC000040639339 174363599 /nfs/dbraw/zinc/36/35/99/174363599.db2.gz AKPPQFUTZPWRNF-GFCCVEGCSA-N 1 0 254.337 2.185 10 30 CEEERO N#Cc1c(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)cn2ccccc12 ZINC000040750207 174395220 /nfs/dbraw/zinc/39/52/20/174395220.db2.gz KWAVXIGULDWPLB-GOOCMWNKSA-N 1 0 280.375 2.265 10 30 CEEERO C=CCC1(NC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCCC1 ZINC000662889294 414789594 /nfs/dbraw/zinc/78/95/94/414789594.db2.gz VWCRQGFAEMETBK-QWHCGFSZSA-N 1 0 250.386 2.367 10 30 CEEERO COc1cccc([C@@H]([C@@H](C)[NH3+])N(CCC#N)C2CC2)c1 ZINC000043028473 174948268 /nfs/dbraw/zinc/94/82/68/174948268.db2.gz ZYGBVYFSKKGGQM-MLGOLLRUSA-N 1 0 273.380 2.462 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1sccc1C)N(CC#N)CC#N ZINC000043247562 174991265 /nfs/dbraw/zinc/99/12/65/174991265.db2.gz PLPIPMCHPDTOEL-NEPJUHHUSA-N 1 0 262.382 2.184 10 30 CEEERO CCC[NH2+][C@@H](c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301260 175001932 /nfs/dbraw/zinc/00/19/32/175001932.db2.gz JGIGOYUCUYZTKL-CABCVRRESA-N 1 0 292.404 2.034 10 30 CEEERO N#CCc1ccc(O[C@H](C[NH3+])c2ccncc2)cc1 ZINC000043355190 175022976 /nfs/dbraw/zinc/02/29/76/175022976.db2.gz VNPAPLTYMBQSGL-OAHLLOKOSA-N 1 0 253.305 2.226 10 30 CEEERO C[NH+](C)CCN[C@H](C#N)c1ccc(Cl)c(F)c1 ZINC000043390777 175033546 /nfs/dbraw/zinc/03/35/46/175033546.db2.gz KMOMTUHKBGNUNZ-GFCCVEGCSA-N 1 0 255.724 2.195 10 30 CEEERO OCCC#Cc1ccc(C[NH+]2CCSCC2)s1 ZINC000043679285 175090002 /nfs/dbraw/zinc/09/00/02/175090002.db2.gz AZGAKKZDGIDTAY-UHFFFAOYSA-N 1 0 267.419 2.031 10 30 CEEERO [NH3+]CC#Cc1ccsc1Cn1c(=O)oc2ccccc21 ZINC000043684312 175093126 /nfs/dbraw/zinc/09/31/26/175093126.db2.gz SHBANIWDEHYAJA-UHFFFAOYSA-N 1 0 284.340 2.015 10 30 CEEERO CCCN[C@@](C)(C#N)CC[NH+]1CCC(OCC)CC1 ZINC000045181558 175325116 /nfs/dbraw/zinc/32/51/16/175325116.db2.gz KHQGEJMXNSPSRA-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000060394149 175638293 /nfs/dbraw/zinc/63/82/93/175638293.db2.gz YCNTZIJNEGMICM-KBPBESRZSA-N 1 0 260.381 2.461 10 30 CEEERO C=C(Br)CSc1nnc(C[NH3+])n1C(C)C ZINC000070944762 176016703 /nfs/dbraw/zinc/01/67/03/176016703.db2.gz JGQYYDZPQIFMQB-UHFFFAOYSA-N 1 0 291.218 2.318 10 30 CEEERO [NH3+]CC#Cc1cncc(OCc2cccc(F)c2)c1 ZINC000071028975 176021438 /nfs/dbraw/zinc/02/14/38/176021438.db2.gz QXUDKCWBIUAIHL-UHFFFAOYSA-N 1 0 256.280 2.110 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)o1)N(CCC#N)CCOC ZINC000071222682 176087989 /nfs/dbraw/zinc/08/79/89/176087989.db2.gz LSHFVUMDHZARJR-HIFRSBDPSA-N 1 0 279.384 2.229 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccc(C)o1)N(CCC#N)CCOC ZINC000071222684 176088045 /nfs/dbraw/zinc/08/80/45/176088045.db2.gz LSHFVUMDHZARJR-DZGCQCFKSA-N 1 0 279.384 2.229 10 30 CEEERO C=CCCOc1cc2c(cc1C[NH2+]CCOC)OCO2 ZINC000071275068 176106206 /nfs/dbraw/zinc/10/62/06/176106206.db2.gz RXELCKWGPFUZFK-UHFFFAOYSA-N 1 0 279.336 2.106 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1N1CCCCCC1=O ZINC000071278322 176107863 /nfs/dbraw/zinc/10/78/63/176107863.db2.gz IJTVZXOHXVVHQO-UHFFFAOYSA-N 1 0 256.349 2.212 10 30 CEEERO CCC(C)(C)C(=O)NCc1ccc(C#CC[NH3+])s1 ZINC000071322776 176123512 /nfs/dbraw/zinc/12/35/12/176123512.db2.gz ZLISFHHMRQULBY-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO CCCN(c1nc2c(cc1C#N)CCC2)[C@@H]1CC[NH2+]C1 ZINC000071332453 176125589 /nfs/dbraw/zinc/12/55/89/176125589.db2.gz XDSOHBRNBIIYOB-CQSZACIVSA-N 1 0 270.380 2.020 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2ccc(OC)cc2C1C#N ZINC000071678527 176243566 /nfs/dbraw/zinc/24/35/66/176243566.db2.gz QUQWUMHSLBDOPB-HNNXBMFYSA-N 1 0 287.363 2.057 10 30 CEEERO C[NH+](C)CCN1C(=O)c2c(ccc3ccccc23)C1C#N ZINC000071679882 176244255 /nfs/dbraw/zinc/24/42/55/176244255.db2.gz XYTQBGVJJBQVER-OAHLLOKOSA-N 1 0 279.343 2.422 10 30 CEEERO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)c2conc2C2CC2)C1 ZINC000329440238 227515982 /nfs/dbraw/zinc/51/59/82/227515982.db2.gz ACIXHKHDGXBGCY-GHMZBOCLSA-N 1 0 263.341 2.339 10 30 CEEERO CCc1nn(C)cc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330221384 228071427 /nfs/dbraw/zinc/07/14/27/228071427.db2.gz LPPJYXPSQBJYSP-AWEZNQCLSA-N 1 0 276.384 2.066 10 30 CEEERO C#CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188052550 260070100 /nfs/dbraw/zinc/07/01/00/260070100.db2.gz LJIBIEMIZDYXJF-CQSZACIVSA-N 1 0 299.374 2.011 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)ncc1C#N ZINC000399569671 266145416 /nfs/dbraw/zinc/14/54/16/266145416.db2.gz ICOLEZSEHDRLFP-CQSZACIVSA-N 1 0 258.369 2.182 10 30 CEEERO CC1(C)CN(c2nccc(C#N)c2Cl)CC[C@@H]1[NH3+] ZINC000261581915 275851850 /nfs/dbraw/zinc/85/18/50/275851850.db2.gz QXLBCUIFMJHIIQ-JTQLQIEISA-N 1 0 264.760 2.170 10 30 CEEERO C[NH2+]C[C@@H]1CCCN1c1c(F)cc(C#N)cc1F ZINC000133283666 277279160 /nfs/dbraw/zinc/27/91/60/277279160.db2.gz UXSWAQRJJMNQEG-JTQLQIEISA-N 1 0 251.280 2.025 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000070175098 278313767 /nfs/dbraw/zinc/31/37/67/278313767.db2.gz ROPSMJXWBWSSOX-DGCLKSJQSA-N 1 0 270.380 2.006 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)CCc1ccc(C#N)cc1 ZINC000177007993 279324702 /nfs/dbraw/zinc/32/47/02/279324702.db2.gz ZHANEXZAGQGOBT-KRWDZBQOSA-N 1 0 299.418 2.434 10 30 CEEERO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172398176 290220139 /nfs/dbraw/zinc/22/01/39/290220139.db2.gz MRIGKEFDWDITDG-CZUORRHYSA-N 1 0 255.365 2.399 10 30 CEEERO N#Cc1cc(F)c(N2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000133669267 303181869 /nfs/dbraw/zinc/18/18/69/303181869.db2.gz LSKIZOLGNUZDEX-JTQLQIEISA-N 1 0 251.280 2.154 10 30 CEEERO C=CCOCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000175010569 329162174 /nfs/dbraw/zinc/16/21/74/329162174.db2.gz UQQATIUVNCBMSK-HUUCEWRRSA-N 1 0 280.412 2.054 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])NCC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000262159152 330000880 /nfs/dbraw/zinc/00/08/80/330000880.db2.gz NWWLCYLMCNXVJS-AGIUHOORSA-N 1 0 267.417 2.237 10 30 CEEERO Cc1cccnc1C(C)(C)CNC(=[NH2+])NCC(C)C ZINC000262366164 330010789 /nfs/dbraw/zinc/01/07/89/330010789.db2.gz KDWPVSOIDKFSMG-UHFFFAOYSA-N 1 0 262.401 2.228 10 30 CEEERO [NH2+]=C(NCC1CCC(C(F)(F)F)CC1)N1CCOCC1 ZINC000262435782 330012722 /nfs/dbraw/zinc/01/27/22/330012722.db2.gz PAFLPRWAYNGLDX-UHFFFAOYSA-N 1 0 293.333 2.002 10 30 CEEERO CC(C)NC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000262532802 330019898 /nfs/dbraw/zinc/01/98/98/330019898.db2.gz OLCMXGKJKCSSAG-KWQFWETISA-N 1 0 253.296 2.133 10 30 CEEERO CC(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262522208 330022805 /nfs/dbraw/zinc/02/28/05/330022805.db2.gz JDSWJLCDLCULMS-RDBSUJKOSA-N 1 0 267.417 2.094 10 30 CEEERO CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@@H]1CC1(C)C ZINC000262656521 330024782 /nfs/dbraw/zinc/02/47/82/330024782.db2.gz ZFCVEPQFIBVTMU-CQSZACIVSA-N 1 0 289.379 2.269 10 30 CEEERO C[C@@H]1C[NH+]=C(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)N1 ZINC000262670599 330025722 /nfs/dbraw/zinc/02/57/22/330025722.db2.gz QRZWMUHKOJKNJN-ZDSQKVDBSA-N 1 0 265.307 2.148 10 30 CEEERO [NH2+]=C(NCCc1cccs1)N[C@@H]1COc2ccccc21 ZINC000262681371 330026777 /nfs/dbraw/zinc/02/67/77/330026777.db2.gz SUCBYZCQVUJMNT-CYBMUJFWSA-N 1 0 287.388 2.329 10 30 CEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC1CCC1 ZINC000262821935 330034155 /nfs/dbraw/zinc/03/41/55/330034155.db2.gz YOWJXNJXUZXSMH-VIFPVBQESA-N 1 0 287.816 2.152 10 30 CEEERO CN1CCC[NH+]=C1NCC1CCN(c2ccccc2)CC1 ZINC000263027551 330039508 /nfs/dbraw/zinc/03/95/08/330039508.db2.gz AXBMVRNMJPHNIV-UHFFFAOYSA-N 1 0 286.423 2.184 10 30 CEEERO [NH2+]=C(NC1CCC1)N[C@H]1COc2cccc(Cl)c21 ZINC000263158104 330046573 /nfs/dbraw/zinc/04/65/73/330046573.db2.gz QFGCJTKFNCFZPZ-JTQLQIEISA-N 1 0 265.744 2.230 10 30 CEEERO CC(C)N(C)c1ccccc1CNC1=[NH+]CCCN1C ZINC000263178295 330047716 /nfs/dbraw/zinc/04/77/16/330047716.db2.gz TUUJEJSXELPECD-UHFFFAOYSA-N 1 0 274.412 2.312 10 30 CEEERO CC(C)[NH2+]CCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000050620293 519722506 /nfs/dbraw/zinc/72/25/06/519722506.db2.gz ZNCJGIYOUAJIKL-UHFFFAOYSA-N 1 0 256.309 2.149 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612921 520032109 /nfs/dbraw/zinc/03/21/09/520032109.db2.gz BOAYXUPLRCTWBD-NVXWUHKLSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](CCCOC)CCOC ZINC000068612873 520032734 /nfs/dbraw/zinc/03/27/34/520032734.db2.gz PKDPZKOXSBVOII-JKSUJKDBSA-N 1 0 299.459 2.032 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[N@H+](CCCOC)CCOC ZINC000068612871 520102049 /nfs/dbraw/zinc/10/20/49/520102049.db2.gz PKDPZKOXSBVOII-HOTGVXAUSA-N 1 0 299.459 2.032 10 30 CEEERO CC(C)C[NH+]1CCN(C(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061615576 519724135 /nfs/dbraw/zinc/72/41/35/519724135.db2.gz UBXKKVBWUFPVEC-INIZCTEOSA-N 1 0 285.391 2.094 10 30 CEEERO CC(C)[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@@H](C)C#N)c1 ZINC000050517137 519727441 /nfs/dbraw/zinc/72/74/41/519727441.db2.gz NIPMKBBOBDJJGS-JTQLQIEISA-N 1 0 263.297 2.384 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615227 519739391 /nfs/dbraw/zinc/73/93/91/519739391.db2.gz YSZIWSDAHVDJFI-OAGGEKHMSA-N 1 0 280.460 2.071 10 30 CEEERO CC[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061298802 519918682 /nfs/dbraw/zinc/91/86/82/519918682.db2.gz LROIOXHHQADXMW-UHFFFAOYSA-N 1 0 263.366 2.047 10 30 CEEERO CCN[C@@](C)(C#N)CCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070202 520128156 /nfs/dbraw/zinc/12/81/56/520128156.db2.gz PHGZXBJOEQGIPC-DLBZAZTESA-N 1 0 294.487 2.465 10 30 CEEERO CCCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000227889318 520809610 /nfs/dbraw/zinc/80/96/10/520809610.db2.gz RKDYOMGVAMSYCU-XJKSGUPXSA-N 1 0 276.380 2.386 10 30 CEEERO CCC[C@]1(C(=O)N(C)c2cccc(C#N)c2)CC[NH2+]C1 ZINC000062910526 521297689 /nfs/dbraw/zinc/29/76/89/521297689.db2.gz PYMUHLAOGINUPO-INIZCTEOSA-N 1 0 271.364 2.301 10 30 CEEERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2cccnc2C#N)c1C ZINC000062803325 522332479 /nfs/dbraw/zinc/33/24/79/522332479.db2.gz BHFSTJMVEWAFRZ-AWEZNQCLSA-N 1 0 283.379 2.095 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000062857040 523168136 /nfs/dbraw/zinc/16/81/36/523168136.db2.gz GHGMSZBJXRHSMU-INIZCTEOSA-N 1 0 289.354 2.045 10 30 CEEERO CC[C@H](C)[NH+]1CCN([C@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068615034 523959066 /nfs/dbraw/zinc/95/90/66/523959066.db2.gz HSVRYGHMRQQGPA-BBWFWOEESA-N 1 0 294.487 2.461 10 30 CEEERO CC[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2N)CC1 ZINC000055066623 523960053 /nfs/dbraw/zinc/96/00/53/523960053.db2.gz AWVIMLAWGGWYCI-LBPRGKRZSA-N 1 0 258.369 2.061 10 30 CEEERO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCCC[C@@H]1C#N ZINC000054825854 523969374 /nfs/dbraw/zinc/96/93/74/523969374.db2.gz NMTBPCQODWVLFB-MJBXVCDLSA-N 1 0 265.401 2.353 10 30 CEEERO C[C@@]([NH3+])(C(=O)Nc1ccccc1C#N)c1ccccc1 ZINC000052881160 525748167 /nfs/dbraw/zinc/74/81/67/525748167.db2.gz JMFMWMZZHLDZFW-INIZCTEOSA-N 1 0 265.316 2.371 10 30 CEEERO C[C@@]([NH3+])(C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000052881162 525748852 /nfs/dbraw/zinc/74/88/52/525748852.db2.gz JPVSIGDXISMJFM-INIZCTEOSA-N 1 0 265.316 2.371 10 30 CEEERO Cc1ccc(C(=O)NCC[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000054825730 526168021 /nfs/dbraw/zinc/16/80/21/526168021.db2.gz CRDDKVFKVHXMKC-GJZGRUSLSA-N 1 0 271.364 2.007 10 30 CEEERO N#CC[C@@H](N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000055016015 526480894 /nfs/dbraw/zinc/48/08/94/526480894.db2.gz LPCBWFQNRIMITA-CVEARBPZSA-N 1 0 255.365 2.325 10 30 CEEERO N#Cc1cc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000068757923 526548759 /nfs/dbraw/zinc/54/87/59/526548759.db2.gz NNEWFKBJTWODIU-JKSUJKDBSA-N 1 0 270.380 2.060 10 30 CEEERO N#Cc1cccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)c1 ZINC000063084482 526694399 /nfs/dbraw/zinc/69/43/99/526694399.db2.gz UMJYPGFJJZHQGY-LBPRGKRZSA-N 1 0 268.320 2.150 10 30 CEEERO N#Cc1ccsc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612683 526771121 /nfs/dbraw/zinc/77/11/21/526771121.db2.gz ZKKMOCTVBUCMBU-GFCCVEGCSA-N 1 0 271.345 2.301 10 30 CEEERO N#Cc1cnc2ccccc2c1O[C@H]1CCC[NH2+]C1 ZINC000051872950 526777418 /nfs/dbraw/zinc/77/74/18/526777418.db2.gz ASVPJWFPDGEFLL-LBPRGKRZSA-N 1 0 253.305 2.237 10 30 CEEERO N#Cc1ncccc1C[N@@H+](CCO)C1CCCCC1 ZINC000061664156 526788350 /nfs/dbraw/zinc/78/83/50/526788350.db2.gz ROUDBWUCNLHSMN-UHFFFAOYSA-N 1 0 259.353 2.080 10 30 CEEERO Cc1sc(NC(=O)CCCC[NH3+])c(C#N)c1C ZINC000070203467 526878763 /nfs/dbraw/zinc/87/87/63/526878763.db2.gz VLVRBVRKWDZEIE-UHFFFAOYSA-N 1 0 251.355 2.304 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)C1=O ZINC000088191978 536365939 /nfs/dbraw/zinc/36/59/39/536365939.db2.gz LNGKNMBFXPGHEH-GFCCVEGCSA-N 1 0 297.280 2.292 10 30 CEEERO N#Cc1sc(NCC[C@@H]2CC[NH2+]C2)nc1Cl ZINC000236076443 625585866 /nfs/dbraw/zinc/58/58/66/625585866.db2.gz CRUUHLUYIYCMJW-ZETCQYMHSA-N 1 0 256.762 2.080 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235304086 625261280 /nfs/dbraw/zinc/26/12/80/625261280.db2.gz DGMRFUDNIACNER-BQBZGAKWSA-N 1 0 256.762 2.221 10 30 CEEERO N#Cc1sc(NCC[C@@H]2CCC[NH2+]C2)nc1Cl ZINC000236076418 625867871 /nfs/dbraw/zinc/86/78/71/625867871.db2.gz APOMROARFWPAHJ-QMMMGPOBSA-N 1 0 270.789 2.470 10 30 CEEERO N#Cc1cc2ccccc2nc1NCC1([NH3+])CCC1 ZINC000236219151 625910493 /nfs/dbraw/zinc/91/04/93/625910493.db2.gz UPCUYCGYERXGLM-UHFFFAOYSA-N 1 0 252.321 2.400 10 30 CEEERO C[C@@]1(CNc2nc(Cl)c(C#N)s2)CCC[NH2+]C1 ZINC000235385906 628968673 /nfs/dbraw/zinc/96/86/73/628968673.db2.gz WQESOFPYLPEANK-LLVKDONJSA-N 1 0 270.789 2.470 10 30 CEEERO C#CCOc1ccccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061891678 639728399 /nfs/dbraw/zinc/72/83/99/639728399.db2.gz MHVBVUZOTTVRDM-UKRRQHHQSA-N 1 0 254.333 2.480 10 30 CEEERO C#CCCCCC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000119947687 646950309 /nfs/dbraw/zinc/95/03/09/646950309.db2.gz GVXJMXDYPWWEEN-CQSZACIVSA-N 1 0 250.386 2.123 10 30 CEEERO C[NH+](C)CC1CCN(c2cc(C#N)cc(Cl)n2)CC1 ZINC000122713665 721942105 /nfs/dbraw/zinc/94/21/05/721942105.db2.gz LUCKRKGCSUHOKI-UHFFFAOYSA-N 1 0 278.787 2.385 10 30 CEEERO C=CCCO[C@@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000125167013 187172765 /nfs/dbraw/zinc/17/27/65/187172765.db2.gz ZHAOJHDSLIALFD-GOEBONIOSA-N 1 0 290.407 2.387 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000037980676 361970745 /nfs/dbraw/zinc/97/07/45/361970745.db2.gz COWWLMPPWKRCNO-WDEREUQCSA-N 1 0 264.756 2.129 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc(C#N)cc1 ZINC000175035520 529407236 /nfs/dbraw/zinc/40/72/36/529407236.db2.gz FOZCUOQGOCFSNO-IAGOWNOFSA-N 1 0 299.418 2.496 10 30 CEEERO N#Cc1cc2c(nc1NC[C@H]1CCCC[NH2+]1)CCCC2 ZINC000044493368 343472622 /nfs/dbraw/zinc/47/26/22/343472622.db2.gz MLFLSOWTKJICLO-CQSZACIVSA-N 1 0 270.380 2.386 10 30 CEEERO CC(C)Cc1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000154307126 344433707 /nfs/dbraw/zinc/43/37/07/344433707.db2.gz NYWGIRIJVKRJIN-ZDUSSCGKSA-N 1 0 273.380 2.175 10 30 CEEERO CC(C)Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000154307020 344434054 /nfs/dbraw/zinc/43/40/54/344434054.db2.gz NYWGIRIJVKRJIN-CYBMUJFWSA-N 1 0 273.380 2.175 10 30 CEEERO C[C@@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000179547247 344505255 /nfs/dbraw/zinc/50/52/55/344505255.db2.gz INRAJDPFRJSOGC-GOEBONIOSA-N 1 0 285.391 2.257 10 30 CEEERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000233306682 344581066 /nfs/dbraw/zinc/58/10/66/344581066.db2.gz UXYGYRXKXIMWGY-IIAWOOMASA-N 1 0 274.364 2.076 10 30 CEEERO C[N@H+](CC1CC1)C[C@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000328637750 344757410 /nfs/dbraw/zinc/75/74/10/344757410.db2.gz OTWTWEXKBCKHAB-KRWDZBQOSA-N 1 0 285.391 2.105 10 30 CEEERO Brc1ccsc1C#C[C@H]1CC[NH2+]C1 ZINC000404655766 344882192 /nfs/dbraw/zinc/88/21/92/344882192.db2.gz UAQVPMNERAZKCQ-QMMMGPOBSA-N 1 0 256.168 2.472 10 30 CEEERO N#CCCN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000097092716 185528582 /nfs/dbraw/zinc/52/85/82/185528582.db2.gz WJMNLLMTXMTPRD-OLZOCXBDSA-N 1 0 257.337 2.061 10 30 CEEERO C=CCN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC000085368882 179038757 /nfs/dbraw/zinc/03/87/57/179038757.db2.gz OGQOEXWSKGTENS-KGLIPLIRSA-N 1 0 250.386 2.461 10 30 CEEERO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085374660 179043451 /nfs/dbraw/zinc/04/34/51/179043451.db2.gz CMZMRDQOGNMVEW-ZIAGYGMSSA-N 1 0 257.337 2.039 10 30 CEEERO N#Cc1ccc(NCC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000600961109 346719488 /nfs/dbraw/zinc/71/94/88/346719488.db2.gz MCENAJJNESIOQB-AWEZNQCLSA-N 1 0 266.348 2.325 10 30 CEEERO C[C@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1C[NH3+] ZINC000600961562 346720036 /nfs/dbraw/zinc/72/00/36/346720036.db2.gz SNZNYUOWAZCQLX-GXSJLCMTSA-N 1 0 294.196 2.352 10 30 CEEERO CCN(c1c(C#N)nnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000085920952 179200212 /nfs/dbraw/zinc/20/02/12/179200212.db2.gz ABPWUAODEQHBHK-GFCCVEGCSA-N 1 0 281.363 2.080 10 30 CEEERO CCCN(c1c(C#N)nnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000085920917 179200263 /nfs/dbraw/zinc/20/02/63/179200263.db2.gz HHNNCMNPELCUDM-LBPRGKRZSA-N 1 0 281.363 2.080 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCCN1c1c(C#N)nnc2ccccc21 ZINC000085920877 179200336 /nfs/dbraw/zinc/20/03/36/179200336.db2.gz JODTUGLZKTUEPB-NHYWBVRUSA-N 1 0 281.363 2.208 10 30 CEEERO N#CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000085979817 179209380 /nfs/dbraw/zinc/20/93/80/179209380.db2.gz VOJIOKHKTRDQFP-GOEBONIOSA-N 1 0 274.364 2.230 10 30 CEEERO CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@H](CC)C[NH2+]1 ZINC000086447497 179295732 /nfs/dbraw/zinc/29/57/32/179295732.db2.gz FGJLZMHHOGXZGT-HUUCEWRRSA-N 1 0 271.364 2.161 10 30 CEEERO N#Cc1ccc([C@@H]2CN(CC[NH3+])c3ccccc3N2)cc1 ZINC000616691470 348562003 /nfs/dbraw/zinc/56/20/03/348562003.db2.gz BFWNDDKONJKPCK-INIZCTEOSA-N 1 0 278.359 2.490 10 30 CEEERO CC[NH2+][C@H](CC)c1nnc(-c2ccc(C#N)cn2)o1 ZINC000104212003 185932604 /nfs/dbraw/zinc/93/26/04/185932604.db2.gz IARHCRDRIQZKBO-SNVBAGLBSA-N 1 0 257.297 2.064 10 30 CEEERO CCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089114636 179708891 /nfs/dbraw/zinc/70/88/91/179708891.db2.gz IYHUGBOUKRPVNV-HUUCEWRRSA-N 1 0 271.364 2.148 10 30 CEEERO N#Cc1ncccc1COC[C@H]1CCCC[C@H]1C[NH3+] ZINC000089535244 179812544 /nfs/dbraw/zinc/81/25/44/179812544.db2.gz PWEVSEHQSKHQFF-QWHCGFSZSA-N 1 0 259.353 2.235 10 30 CEEERO CC1(C)[C@@H]2C[NH2+]C[C@H]2CN1c1cccc(F)c1C#N ZINC000090338615 179966747 /nfs/dbraw/zinc/96/67/47/179966747.db2.gz HHXRJNDOLKELCJ-CMPLNLGQSA-N 1 0 259.328 2.132 10 30 CEEERO C[C@@H]([NH3+])CCSCC(=O)Nc1sccc1C#N ZINC000090346397 179970520 /nfs/dbraw/zinc/97/05/20/179970520.db2.gz QVSBZFFTCRZSBL-MRVPVSSYSA-N 1 0 269.395 2.029 10 30 CEEERO C[C@H](CC[NH3+])SCC(=O)NC1(C#N)CCCCCC1 ZINC000090354573 179973645 /nfs/dbraw/zinc/97/36/45/179973645.db2.gz IDIKEJWHDLFCII-GFCCVEGCSA-N 1 0 283.441 2.190 10 30 CEEERO COCCCSCc1ccc(F)c(C#CC[NH3+])c1 ZINC000104438338 186002621 /nfs/dbraw/zinc/00/26/21/186002621.db2.gz YUMNKOSWHUAHCC-UHFFFAOYSA-N 1 0 267.369 2.406 10 30 CEEERO C=C(CC)C[C@@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612642 180207257 /nfs/dbraw/zinc/20/72/57/180207257.db2.gz NGKWRLYHVRFGET-HUUCEWRRSA-N 1 0 254.418 2.432 10 30 CEEERO CC[C@@H]([NH2+]C)c1ccn(Cc2cccnc2C#N)c1 ZINC000091816570 180263133 /nfs/dbraw/zinc/26/31/33/180263133.db2.gz UACFJGFRVHFTCS-CQSZACIVSA-N 1 0 254.337 2.474 10 30 CEEERO C#CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000091842570 180269480 /nfs/dbraw/zinc/26/94/80/180269480.db2.gz PHWMNBZESGAAPJ-UHFFFAOYSA-N 1 0 252.358 2.045 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C#N)cc1Br ZINC000092133521 180330966 /nfs/dbraw/zinc/33/09/66/180330966.db2.gz PNGSWBYIDWTOHY-QMMMGPOBSA-N 1 0 296.168 2.115 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2ccc(OC)c(OC)c2)c1N ZINC000106832627 186137474 /nfs/dbraw/zinc/13/74/74/186137474.db2.gz GJFRUAXTJPBPDX-UHFFFAOYSA-N 1 0 271.320 2.091 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000092476233 180393737 /nfs/dbraw/zinc/39/37/37/180393737.db2.gz NLOYBVYQVHSKLG-UHFFFAOYSA-N 1 0 283.253 2.291 10 30 CEEERO CC[C@H](C#N)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000110513886 186300036 /nfs/dbraw/zinc/30/00/36/186300036.db2.gz MJCVYGQNBGGNRQ-CQSZACIVSA-N 1 0 288.351 2.015 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccccc2CO)cc1 ZINC000110994491 186341747 /nfs/dbraw/zinc/34/17/47/186341747.db2.gz CBCMGXHKNYGISU-UHFFFAOYSA-N 1 0 267.328 2.068 10 30 CEEERO [NH3+]CC#Cc1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000111102432 186352464 /nfs/dbraw/zinc/35/24/64/186352464.db2.gz HUYVKUWFDZUCLI-ZMSDIMECSA-N 1 0 282.387 2.163 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCCO)C[C@@H]1CCCOC1 ZINC000111168156 186363995 /nfs/dbraw/zinc/36/39/95/186363995.db2.gz JUMYPIBFUKFKFP-INIZCTEOSA-N 1 0 287.403 2.279 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCOC1 ZINC000111168314 186364038 /nfs/dbraw/zinc/36/40/38/186364038.db2.gz JDSDGFKVNWQXPU-SFHVURJKSA-N 1 0 287.403 2.279 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1 ZINC000111169191 186366010 /nfs/dbraw/zinc/36/60/10/186366010.db2.gz OXFGLIDSNZNDSB-MRXNPFEDSA-N 1 0 281.444 2.407 10 30 CEEERO C=CC(C)(C)CC[NH2+]C[C@H](O)COCc1ccco1 ZINC000629589106 351425225 /nfs/dbraw/zinc/42/52/25/351425225.db2.gz ROEKFUNHCNCZDZ-ZDUSSCGKSA-N 1 0 267.369 2.349 10 30 CEEERO CC[C@@](C)(O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000123396326 187089586 /nfs/dbraw/zinc/08/95/86/187089586.db2.gz HCPCBCLCUASKLH-QGZVFWFLSA-N 1 0 287.407 2.231 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000072878265 363176640 /nfs/dbraw/zinc/17/66/40/363176640.db2.gz OMNGUVSQHMWZPI-ZJUUUORDSA-N 1 0 268.307 2.306 10 30 CEEERO CCc1nnc(NCC([NH3+])(CC)CC)c(C#N)c1CC ZINC000133496001 366229706 /nfs/dbraw/zinc/22/97/06/366229706.db2.gz BCFXGRXFDPXJPA-UHFFFAOYSA-N 1 0 275.400 2.402 10 30 CEEERO N#Cc1cc(F)c(NC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000133666963 366245492 /nfs/dbraw/zinc/24/54/92/366245492.db2.gz PIMKLRRNZWYQKL-VIFPVBQESA-N 1 0 251.280 2.248 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1 ZINC000150727329 366594256 /nfs/dbraw/zinc/59/42/56/366594256.db2.gz NRBNRRYFXHWJIU-MRXNPFEDSA-N 1 0 294.439 2.324 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccccc1C#N ZINC000083550890 363779353 /nfs/dbraw/zinc/77/93/53/363779353.db2.gz JCZUVCQFEZXTCU-CZUORRHYSA-N 1 0 255.365 2.227 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(C#N)(CC)CC ZINC000092630801 364089208 /nfs/dbraw/zinc/08/92/08/364089208.db2.gz IMVCHSYECXRSFT-CYBMUJFWSA-N 1 0 265.401 2.259 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000092628659 364090051 /nfs/dbraw/zinc/09/00/51/364090051.db2.gz KTSRVRLHFNNAOX-MRXNPFEDSA-N 1 0 257.381 2.474 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)Cc1ccc(Cl)cc1 ZINC000095081765 364334074 /nfs/dbraw/zinc/33/40/74/364334074.db2.gz SLVNWDXJBLPKLZ-UHFFFAOYSA-N 1 0 252.745 2.074 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955185 364314271 /nfs/dbraw/zinc/31/42/71/364314271.db2.gz JVCMQSYHOSVKDG-RYUDHWBXSA-N 1 0 264.344 2.475 10 30 CEEERO C=CC1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000111382488 364732424 /nfs/dbraw/zinc/73/24/24/364732424.db2.gz ZPQPCPAJOYHLIU-QGZVFWFLSA-N 1 0 275.392 2.462 10 30 CEEERO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000111830482 364762739 /nfs/dbraw/zinc/76/27/39/364762739.db2.gz IDQAAZACRKZZLD-LLVKDONJSA-N 1 0 262.313 2.252 10 30 CEEERO N#Cc1cc(F)c(N[C@@H]2CC[C@H](C[NH3+])C2)c(F)c1 ZINC000335576282 212287925 /nfs/dbraw/zinc/28/79/25/212287925.db2.gz ARECLOJFSIYJBN-WCBMZHEXSA-N 1 0 251.280 2.376 10 30 CEEERO CC[C@@H]1C[N@H+](CC(C)(C)CCC#N)CCN1C[C@H](C)O ZINC000245702701 370860521 /nfs/dbraw/zinc/86/05/21/370860521.db2.gz DKCQCPRTSKFHKT-LSDHHAIUSA-N 1 0 281.444 2.093 10 30 CEEERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000246201262 370926578 /nfs/dbraw/zinc/92/65/78/370926578.db2.gz JBGCVUHOXPDCEO-XJKSGUPXSA-N 1 0 257.381 2.377 10 30 CEEERO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187686363 369203272 /nfs/dbraw/zinc/20/32/72/369203272.db2.gz OJRJMDRKDLIBEA-CZUORRHYSA-N 1 0 255.365 2.399 10 30 CEEERO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000234326547 370533481 /nfs/dbraw/zinc/53/34/81/370533481.db2.gz MPWRCUDLILMGAQ-UHFFFAOYSA-N 1 0 289.339 2.005 10 30 CEEERO C#CCCCCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246675996 370992903 /nfs/dbraw/zinc/99/29/03/370992903.db2.gz QRGUPFJCDJTUHV-GJZGRUSLSA-N 1 0 277.412 2.058 10 30 CEEERO C[C@H]([NH3+])[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000381859153 375180440 /nfs/dbraw/zinc/18/04/40/375180440.db2.gz ZYLVHIVNMULLGN-BQBZGAKWSA-N 1 0 258.247 2.120 10 30 CEEERO CN/C(=[NH+]/C)SCc1cccc(Br)n1 ZINC000306795857 376556318 /nfs/dbraw/zinc/55/63/18/376556318.db2.gz JAYSVGVTOZWLJN-UHFFFAOYSA-N 1 0 274.187 2.283 10 30 CEEERO Cn1cc([C@@H](CNc2ccc(C#N)cc2F)[NH+](C)C)cn1 ZINC000301296746 379252151 /nfs/dbraw/zinc/25/21/51/379252151.db2.gz RZQBUYRRUKWZSO-OAHLLOKOSA-N 1 0 287.342 2.146 10 30 CEEERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C#N)Cc1ccccc1 ZINC000041680708 184551936 /nfs/dbraw/zinc/55/19/36/184551936.db2.gz LGPVMKYHYGQTMK-GDBMZVCRSA-N 1 0 287.407 2.215 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1cccc2c1OC(C)(C)C2 ZINC000093375333 184668059 /nfs/dbraw/zinc/66/80/59/184668059.db2.gz MNPPKPZDSLUTEL-CYBMUJFWSA-N 1 0 271.364 2.258 10 30 CEEERO CN(C(=O)[C@H]1CCCCC[NH2+]1)c1cccc(C#N)c1 ZINC000081001022 177753176 /nfs/dbraw/zinc/75/31/76/177753176.db2.gz AFIBCMDGAVGEIQ-CQSZACIVSA-N 1 0 257.337 2.053 10 30 CEEERO C#CC(C)(C)[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000094373201 184790893 /nfs/dbraw/zinc/79/08/93/184790893.db2.gz ZMCLWLIXEAOSQP-GFCCVEGCSA-N 1 0 253.411 2.433 10 30 CEEERO [NH3+]CC#Cc1cncc(O[C@H]2CCOC3(CCCC3)C2)c1 ZINC000094408557 184794140 /nfs/dbraw/zinc/79/41/40/184794140.db2.gz KROAEQSCGVYXIE-HNNXBMFYSA-N 1 0 286.375 2.262 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094751363 184852813 /nfs/dbraw/zinc/85/28/13/184852813.db2.gz TWACVSYNCQIIKS-CVEARBPZSA-N 1 0 285.391 2.424 10 30 CEEERO N#Cc1ccc(OCC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000094593521 184823282 /nfs/dbraw/zinc/82/32/82/184823282.db2.gz AHVNLNCVUZYQQW-LBPRGKRZSA-N 1 0 275.308 2.377 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252889797 394574786 /nfs/dbraw/zinc/57/47/86/394574786.db2.gz FQGAEOMVZHRMFV-AWEZNQCLSA-N 1 0 286.335 2.141 10 30 CEEERO CC[C@H]1C[N@H+](CC(C)(C)CCC#N)CCN1C[C@@H](C)O ZINC000120772687 394784040 /nfs/dbraw/zinc/78/40/40/394784040.db2.gz DKCQCPRTSKFHKT-CABCVRRESA-N 1 0 281.444 2.093 10 30 CEEERO N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398808120 395237738 /nfs/dbraw/zinc/23/77/38/395237738.db2.gz UNCYWIKRTHMBSR-HRCADAONSA-N 1 0 256.349 2.151 10 30 CEEERO COC[C@@]1(CNc2c(C#N)cnc3ccccc32)CCC[NH2+]1 ZINC000262512027 153954959 /nfs/dbraw/zinc/95/49/59/153954959.db2.gz NBGJOPMNIMJMHA-KRWDZBQOSA-N 1 0 296.374 2.287 10 30 CEEERO CC[C@H]([NH3+])CNc1ccc(Br)cc1C#N ZINC000165304673 162345278 /nfs/dbraw/zinc/34/52/78/162345278.db2.gz OFDHNXVJOSDHFZ-JTQLQIEISA-N 1 0 268.158 2.470 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020368206 171166544 /nfs/dbraw/zinc/16/65/44/171166544.db2.gz PKAAJYYKXFTJKH-LSZNHBMWSA-N 1 0 288.435 2.319 10 30 CEEERO CC[C@@H](C)CN(C)C(=O)c1ccccc1C#CC[NH3+] ZINC000037571210 173521577 /nfs/dbraw/zinc/52/15/77/173521577.db2.gz GTPLDDDZPSWMJW-CYBMUJFWSA-N 1 0 258.365 2.115 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccccc1[C@H]([NH3+])CC ZINC000037698660 173622805 /nfs/dbraw/zinc/62/28/05/173622805.db2.gz DSOJOVZLGMYSBF-WCQYABFASA-N 1 0 262.353 2.166 10 30 CEEERO C#CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000040740312 174390474 /nfs/dbraw/zinc/39/04/74/174390474.db2.gz KHQJRHKCJHFDQM-YHWZYXNKSA-N 1 0 264.369 2.140 10 30 CEEERO N#Cc1c2c(sc1NC(=O)CC1CC[NH2+]CC1)CCC2 ZINC000040853247 174421481 /nfs/dbraw/zinc/42/14/81/174421481.db2.gz SIMPLXUZBXYZIL-UHFFFAOYSA-N 1 0 289.404 2.437 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1cccc(C)c1)N(CC#N)CC#N ZINC000042965773 174929244 /nfs/dbraw/zinc/92/92/44/174929244.db2.gz VDAGXCGYQQSXBQ-CABCVRRESA-N 1 0 256.353 2.123 10 30 CEEERO COc1cccc([C@@H]([C@H](C)[NH3+])N(CCC#N)C2CC2)c1 ZINC000043028469 174948051 /nfs/dbraw/zinc/94/80/51/174948051.db2.gz ZYGBVYFSKKGGQM-BLLLJJGKSA-N 1 0 273.380 2.462 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342285 175015726 /nfs/dbraw/zinc/01/57/26/175015726.db2.gz JIOCBXILOXJEQK-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CCC#N)C1CC1 ZINC000043348367 175018429 /nfs/dbraw/zinc/01/84/29/175018429.db2.gz FHWJRRDNGHIEHW-LSDHHAIUSA-N 1 0 258.369 2.238 10 30 CEEERO C[C@H]([NH3+])[C@@H](N(CCC#N)Cc1cccnc1)C(F)(F)F ZINC000043376727 175030303 /nfs/dbraw/zinc/03/03/03/175030303.db2.gz DASNODLMSRZMBA-CMPLNLGQSA-N 1 0 286.301 2.075 10 30 CEEERO C[N@H+](Cc1sccc1C#CCCO)[C@H]1CCSC1 ZINC000043679542 175090256 /nfs/dbraw/zinc/09/02/56/175090256.db2.gz WCEQVNCMLJHBGI-ZDUSSCGKSA-N 1 0 281.446 2.419 10 30 CEEERO CN(Cc1sccc1C#CC[NH3+])Cc1cccnc1 ZINC000043683733 175092135 /nfs/dbraw/zinc/09/21/35/175092135.db2.gz KLTPWMNFKNHVPU-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000045307358 175355726 /nfs/dbraw/zinc/35/57/26/175355726.db2.gz GFCVEBDPHZIMNE-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CCOC1CC[NH+](CCCC[C@](C)(C#N)NC)CC1 ZINC000045313063 175357049 /nfs/dbraw/zinc/35/70/49/175357049.db2.gz HECIEYQSJLHYQB-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO CC[N@H+](CCC[C@](C)(C#N)NC(C)C)[C@@H](C)COC ZINC000045314228 175357066 /nfs/dbraw/zinc/35/70/66/175357066.db2.gz UUJYBFIKFWOLCD-LSDHHAIUSA-N 1 0 269.433 2.404 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](C)C1CCN(CC)CC1 ZINC000045317186 175357757 /nfs/dbraw/zinc/35/77/57/175357757.db2.gz RORNZRRPYLOCHU-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO CCN1CCC([N@H+](C)CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045317154 175358455 /nfs/dbraw/zinc/35/84/55/175358455.db2.gz LFZZJNKMVFQCIM-KRWDZBQOSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)COC ZINC000045318863 175358878 /nfs/dbraw/zinc/35/88/78/175358878.db2.gz XHIZYBMOYWNVCQ-JKSUJKDBSA-N 1 0 299.459 2.032 10 30 CEEERO COCC[N@H+](CCC[C@@](C)(C#N)NC(C)C)[C@@H](C)COC ZINC000045318868 175359410 /nfs/dbraw/zinc/35/94/10/175359410.db2.gz RBMHBFVNFBBUJJ-HOTGVXAUSA-N 1 0 299.459 2.030 10 30 CEEERO C[C@H]1C[N@H+](Cc2ccccc2C#CCO)CC(C)(C)O1 ZINC000045707208 175382606 /nfs/dbraw/zinc/38/26/06/175382606.db2.gz YIHSTPOLIKHCHT-AWEZNQCLSA-N 1 0 273.376 2.030 10 30 CEEERO C[C@H]1C[N@H+](Cc2ccccc2C#CCCO)CC(C)(C)O1 ZINC000045707191 175382842 /nfs/dbraw/zinc/38/28/42/175382842.db2.gz BBOAUHVFIVJEKI-HNNXBMFYSA-N 1 0 287.403 2.420 10 30 CEEERO C#CCOc1ccc(Cl)cc1CNCCC[NH+](C)C ZINC000045946508 175387855 /nfs/dbraw/zinc/38/78/55/175387855.db2.gz BLHXJFJJDFTOFB-UHFFFAOYSA-N 1 0 280.799 2.393 10 30 CEEERO C#CCOc1c(C[NH2+]CCCOCC)cccc1OC ZINC000045945712 175388092 /nfs/dbraw/zinc/38/80/92/175388092.db2.gz WLOYHMWXUOPCMR-UHFFFAOYSA-N 1 0 277.364 2.223 10 30 CEEERO C#CCCOc1cc(C[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000050517167 175517184 /nfs/dbraw/zinc/51/71/84/175517184.db2.gz HZILFOBSUKIBIJ-UHFFFAOYSA-N 1 0 262.309 2.495 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)Cc2ccc(F)cc2)CC1 ZINC000062050238 175661201 /nfs/dbraw/zinc/66/12/01/175661201.db2.gz CBGCSLRVDAADCU-CQSZACIVSA-N 1 0 274.383 2.444 10 30 CEEERO N#C[C@H]1CC(=O)N(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000070492305 175955471 /nfs/dbraw/zinc/95/54/71/175955471.db2.gz PHKJKLYXHGREBV-OAHLLOKOSA-N 1 0 283.375 2.023 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccc(F)cc1)N(CCC#N)CCOC ZINC000071221877 176087582 /nfs/dbraw/zinc/08/75/82/176087582.db2.gz RRXQVHWPOIFUTE-CVEARBPZSA-N 1 0 293.386 2.466 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000071264396 176098133 /nfs/dbraw/zinc/09/81/33/176098133.db2.gz VSRXMQVFXFXVOE-ABAIWWIYSA-N 1 0 261.344 2.399 10 30 CEEERO C=CCCOc1cc(OC)ccc1C[NH2+]CCOC ZINC000071275037 176105985 /nfs/dbraw/zinc/10/59/85/176105985.db2.gz HAXNTLPLNLVRGO-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO CCCN(Cc1ccc(F)cc1C#N)[C@H]1CC[NH2+]C1 ZINC000071332256 176125579 /nfs/dbraw/zinc/12/55/79/176125579.db2.gz GDWMZVAEJLSFHD-HNNXBMFYSA-N 1 0 261.344 2.271 10 30 CEEERO N#Cc1ccc(OCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000076853428 177121298 /nfs/dbraw/zinc/12/12/98/177121298.db2.gz VXWGQSPWXKALBD-UHFFFAOYSA-N 1 0 275.308 2.331 10 30 CEEERO C#CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000077465035 177271944 /nfs/dbraw/zinc/27/19/44/177271944.db2.gz OPMPZQDBJYQTMQ-RDJZCZTQSA-N 1 0 273.376 2.339 10 30 CEEERO C#CCOc1ccccc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000188052573 260070316 /nfs/dbraw/zinc/07/03/16/260070316.db2.gz LJIBIEMIZDYXJF-AWEZNQCLSA-N 1 0 299.374 2.011 10 30 CEEERO CC[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCN1CCOC ZINC000174849422 261199253 /nfs/dbraw/zinc/19/92/53/261199253.db2.gz PSLYOVBZSICOEA-OAHLLOKOSA-N 1 0 281.444 2.359 10 30 CEEERO C[NH2+][C@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000116942573 273974941 /nfs/dbraw/zinc/97/49/41/273974941.db2.gz PPQISAMMAYFZOP-JTQLQIEISA-N 1 0 269.270 2.375 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(C#N)cc1Cl ZINC000114709908 274374628 /nfs/dbraw/zinc/37/46/28/274374628.db2.gz RHCPLYPACIMUIS-ZYHUDNBSSA-N 1 0 276.771 2.280 10 30 CEEERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(C#N)cc1Br ZINC000261576020 274429550 /nfs/dbraw/zinc/42/95/50/274429550.db2.gz KAXZBIUDJLULRD-KCJUWKMLSA-N 1 0 280.169 2.247 10 30 CEEERO C[NH+](C)[C@H]1CCN(c2ccc(C#N)cc2Br)C1 ZINC000116942610 276873962 /nfs/dbraw/zinc/87/39/62/276873962.db2.gz PBHVELCXWBZBMW-NSHDSACASA-N 1 0 294.196 2.461 10 30 CEEERO C[NH2+]CCC1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000070190087 277266256 /nfs/dbraw/zinc/26/62/56/277266256.db2.gz VATMVGIDSVHKEA-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO N#Cc1cc(F)c(NC[C@@H](O)C[NH+]2CCCCC2)c(F)c1 ZINC000174683589 303182540 /nfs/dbraw/zinc/18/25/40/303182540.db2.gz DNZSNSHVSMVFPE-GFCCVEGCSA-N 1 0 295.333 2.095 10 30 CEEERO N#Cc1cc(N[C@@H](CCC[NH3+])c2ccccc2)ncn1 ZINC000394284861 329110582 /nfs/dbraw/zinc/11/05/82/329110582.db2.gz JDCNSQDFEWTFMD-AWEZNQCLSA-N 1 0 267.336 2.240 10 30 CEEERO C[NH+]=C(NCCn1cc(C)cn1)NC1C[C@H](C)C[C@@H](C)C1 ZINC000176037447 329173339 /nfs/dbraw/zinc/17/33/39/329173339.db2.gz NZLKGLBQWJMZMA-CHWSQXEVSA-N 1 0 291.443 2.181 10 30 CEEERO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000186023404 329336016 /nfs/dbraw/zinc/33/60/16/329336016.db2.gz MVUDYFNNVUHOOS-RWMBFGLXSA-N 1 0 266.385 2.408 10 30 CEEERO C=CC[N@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190507276 329398900 /nfs/dbraw/zinc/39/89/00/329398900.db2.gz NHSYEQRAOQTDJY-AWEZNQCLSA-N 1 0 282.428 2.300 10 30 CEEERO [NH2+]=C(NC[C@H]1CCC[C@@H](CO)C1)NC1CCCCC1 ZINC000262338165 329672369 /nfs/dbraw/zinc/67/23/69/329672369.db2.gz XNLRXHQZPSQVDT-QWHCGFSZSA-N 1 0 267.417 2.022 10 30 CEEERO CC[NH+]=C(NCc1nnc(C(C)C)s1)N[C@@H]1C[C@@H]1C ZINC000261819821 329985252 /nfs/dbraw/zinc/98/52/52/329985252.db2.gz UHQXKESOHSXYQJ-VHSXEESVSA-N 1 0 281.429 2.125 10 30 CEEERO C[NH+]=C(NC1CCC1)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000261982087 329994116 /nfs/dbraw/zinc/99/41/16/329994116.db2.gz PDMBDCUKEBCZCZ-CQSZACIVSA-N 1 0 289.427 2.039 10 30 CEEERO CCCNC(N[C@H]1CCc2cn(C(C)C)nc2C1)=[NH+]CC ZINC000262000737 329996063 /nfs/dbraw/zinc/99/60/63/329996063.db2.gz UJSGEUTVHINBOK-AWEZNQCLSA-N 1 0 291.443 2.286 10 30 CEEERO [NH2+]=C(NCc1cccc(-n2ccnc2)c1)NCC1CCC1 ZINC000262509051 330018743 /nfs/dbraw/zinc/01/87/43/330018743.db2.gz CHSOIQDCLNWKRJ-UHFFFAOYSA-N 1 0 283.379 2.077 10 30 CEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CCC(C(=O)OCC)CC1 ZINC000262518870 330019281 /nfs/dbraw/zinc/01/92/81/330019281.db2.gz DFHBRBABSNICCT-CYBMUJFWSA-N 1 0 295.427 2.026 10 30 CEEERO CN1CC[NH+]=C1NCC1CCC(C(F)(F)F)CC1 ZINC000262631501 330023564 /nfs/dbraw/zinc/02/35/64/330023564.db2.gz FVHMEFSRUDLQPT-UHFFFAOYSA-N 1 0 263.307 2.246 10 30 CEEERO CN1CC[NH+]=C1NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262668901 330025756 /nfs/dbraw/zinc/02/57/56/330025756.db2.gz QCKCZDDEZQTEFH-NXEZZACHSA-N 1 0 263.307 2.246 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1CC12CC2 ZINC000263204984 330048949 /nfs/dbraw/zinc/04/89/49/330048949.db2.gz YAHPIAUEKYNTEB-GFCCVEGCSA-N 1 0 259.353 2.360 10 30 CEEERO CC#CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495814716 332531008 /nfs/dbraw/zinc/53/10/08/332531008.db2.gz RRCOLKJIAVEPCE-GFCCVEGCSA-N 1 0 266.385 2.245 10 30 CEEERO N#CCc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000343529106 335207136 /nfs/dbraw/zinc/20/71/36/335207136.db2.gz LYRYVRSKAFBVPZ-INIZCTEOSA-N 1 0 258.365 2.490 10 30 CEEERO CC[NH2+]CCC(=O)Nc1ccc(C#N)cc1Br ZINC000061292176 519917851 /nfs/dbraw/zinc/91/78/51/519917851.db2.gz GICNDDDWEHCDMD-UHFFFAOYSA-N 1 0 296.168 2.259 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N(CCC)CC[NH+](C)C ZINC000068613883 520102836 /nfs/dbraw/zinc/10/28/36/520102836.db2.gz ZBNHLNQOSYGLOU-CVEARBPZSA-N 1 0 282.476 2.320 10 30 CEEERO CC(C)[NH2+]C[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000063140241 519723517 /nfs/dbraw/zinc/72/35/17/519723517.db2.gz VRIPXRNZOSGYPW-AWEZNQCLSA-N 1 0 258.369 2.168 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068615990 519739233 /nfs/dbraw/zinc/73/92/33/519739233.db2.gz MCQOULXDQVYZBS-ULQDDVLXSA-N 1 0 292.471 2.215 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611653 519739457 /nfs/dbraw/zinc/73/94/57/519739457.db2.gz IBAWXIQWNJHKLA-CVEARBPZSA-N 1 0 280.460 2.071 10 30 CEEERO CC[NH2+]C[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061267402 519943140 /nfs/dbraw/zinc/94/31/40/519943140.db2.gz URQGGVBXWFDZDX-SECBINFHSA-N 1 0 277.393 2.293 10 30 CEEERO CCCN[C@H](C#N)CC[N@H+](CCOC)[C@@H](C)CC ZINC000062437400 520059569 /nfs/dbraw/zinc/05/95/69/520059569.db2.gz JPNHFAQKURANQS-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO CCCOc1cccc([C@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000052921395 520466375 /nfs/dbraw/zinc/46/63/75/520466375.db2.gz NQIZSANAAJTACJ-INIZCTEOSA-N 1 0 273.380 2.335 10 30 CEEERO CCOc1cc(C[NH3+])ccc1OCc1cccnc1C#N ZINC000061656393 520695936 /nfs/dbraw/zinc/69/59/36/520695936.db2.gz XMDLDMIXELKMNT-UHFFFAOYSA-N 1 0 283.331 2.390 10 30 CEEERO CCOC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054824407 520931236 /nfs/dbraw/zinc/93/12/36/520931236.db2.gz FBIABURFRAODDN-GXTWGEPZSA-N 1 0 279.384 2.279 10 30 CEEERO CCCN(CC[NH+](C)C)[C@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068613879 521657660 /nfs/dbraw/zinc/65/76/60/521657660.db2.gz CJSRNQBATOLXFF-ZBFHGGJFSA-N 1 0 280.460 2.073 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1c1ccc(C#N)cc1[N+](=O)[O-] ZINC000063169502 522080155 /nfs/dbraw/zinc/08/01/55/522080155.db2.gz HBIFKHUCVXFFOS-GFCCVEGCSA-N 1 0 274.324 2.045 10 30 CEEERO C[NH2+]Cc1cc(OC)c(OCCCCC#N)c(OC)c1 ZINC000049578341 522113837 /nfs/dbraw/zinc/11/38/37/522113837.db2.gz DXWGWTFZJNHZOV-UHFFFAOYSA-N 1 0 278.352 2.496 10 30 CEEERO CC[C@@H](CC#N)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000054179849 522464712 /nfs/dbraw/zinc/46/47/12/522464712.db2.gz UHGKNLMYKAIUML-HNNXBMFYSA-N 1 0 285.391 2.116 10 30 CEEERO COCC1CC[NH+]([C@@H](C)C[C@](C)(C#N)NC2CC2)CC1 ZINC000068616616 522934748 /nfs/dbraw/zinc/93/47/48/522934748.db2.gz ZNXLDMQRQPGBNH-XJKSGUPXSA-N 1 0 279.428 2.158 10 30 CEEERO CC[C@H](C#N)Oc1ccc(C[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000062730750 523749943 /nfs/dbraw/zinc/74/99/43/523749943.db2.gz ORQVDTMNWPTRTK-GFCCVEGCSA-N 1 0 293.323 2.012 10 30 CEEERO CN(C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccc(C#N)c1 ZINC000061980884 523912057 /nfs/dbraw/zinc/91/20/57/523912057.db2.gz PRLNCOBAIKZMNC-CWRNSKLLSA-N 1 0 283.375 2.442 10 30 CEEERO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCCC[C@@H]1C#N ZINC000054825852 523968643 /nfs/dbraw/zinc/96/86/43/523968643.db2.gz NMTBPCQODWVLFB-BFHYXJOUSA-N 1 0 265.401 2.353 10 30 CEEERO Cc1nnc(SCc2sccc2C#CC[NH3+])o1 ZINC000051038613 526387729 /nfs/dbraw/zinc/38/77/29/526387729.db2.gz CLVNIIDTWTWGBM-UHFFFAOYSA-N 1 0 265.363 2.042 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054306211 526523489 /nfs/dbraw/zinc/52/34/89/526523489.db2.gz ZJEHERZSNFHOPI-SNVBAGLBSA-N 1 0 261.300 2.026 10 30 CEEERO N#Cc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050940113 526649069 /nfs/dbraw/zinc/64/90/69/526649069.db2.gz AQVSKZQQJAWISM-ZDUSSCGKSA-N 1 0 257.337 2.419 10 30 CEEERO N#Cc1ccccc1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610836 526743012 /nfs/dbraw/zinc/74/30/12/526743012.db2.gz PDEYPZYPTSIJPY-CQSZACIVSA-N 1 0 265.316 2.239 10 30 CEEERO C=C[C@H](C)NC(=S)N(CCC[NH3+])C(=O)OC(C)(C)C ZINC000757135282 574826561 /nfs/dbraw/zinc/82/65/61/574826561.db2.gz SNCVIUVDJCIAMY-JTQLQIEISA-N 1 0 287.429 2.021 10 30 CEEERO C[C@H]1C[C@@H]1NC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262006241 624216970 /nfs/dbraw/zinc/21/69/70/624216970.db2.gz RNPHSGLJHAXUNM-FZMZJTMJSA-N 1 0 292.814 2.185 10 30 CEEERO N#Cc1cnc2ccccc2c1NCC1([NH3+])CCC1 ZINC000236210457 625909644 /nfs/dbraw/zinc/90/96/44/625909644.db2.gz FZTPPTBDZFVEAX-UHFFFAOYSA-N 1 0 252.321 2.400 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N1CCC(OCC2CC2)CC1 ZINC000261724203 629158627 /nfs/dbraw/zinc/15/86/27/629158627.db2.gz ISVYTEIASCWPIZ-IUODEOHRSA-N 1 0 279.428 2.251 10 30 CEEERO CC1(CNc2nc(Cl)c(C#N)s2)CC[NH2+]CC1 ZINC000232820593 629895116 /nfs/dbraw/zinc/89/51/16/629895116.db2.gz WDEHHFDNTUVPFI-UHFFFAOYSA-N 1 0 270.789 2.470 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000156367561 639346115 /nfs/dbraw/zinc/34/61/15/639346115.db2.gz ZXKUXFXHKNWDCM-KGLIPLIRSA-N 1 0 278.359 2.437 10 30 CEEERO N#Cc1ccc(OCCC[N@H+]2CC[C@H](CCO)C2)cc1 ZINC000227567114 639595132 /nfs/dbraw/zinc/59/51/32/639595132.db2.gz XOZGYDMPJRDIHF-OAHLLOKOSA-N 1 0 274.364 2.031 10 30 CEEERO CCc1nnc(N[C@@H]2CCC[NH2+][C@H]2C)c(C#N)c1CC ZINC000229605415 639710293 /nfs/dbraw/zinc/71/02/93/639710293.db2.gz VGRNLZZHQOPCLP-IINYFYTJSA-N 1 0 273.384 2.025 10 30 CEEERO C#CCOc1ccccc1CN[C@@H]1CCC[C@H]1C#N ZINC000061891680 639728030 /nfs/dbraw/zinc/72/80/30/639728030.db2.gz MHVBVUZOTTVRDM-DZGCQCFKSA-N 1 0 254.333 2.480 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CCC[C@@H]([NH3+])C1 ZINC000071386040 641755504 /nfs/dbraw/zinc/75/55/04/641755504.db2.gz RELBTMRDBWLZGE-CYBMUJFWSA-N 1 0 252.321 2.034 10 30 CEEERO C=CCNC(=[NH2+])NCC1CCC(C(F)(F)F)CC1 ZINC000072914351 641992558 /nfs/dbraw/zinc/99/25/58/641992558.db2.gz WUZNWLXSMLLXMS-UHFFFAOYSA-N 1 0 263.307 2.445 10 30 CEEERO C=CCC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000125238072 187175852 /nfs/dbraw/zinc/17/58/52/187175852.db2.gz YPDKXCBIBORESX-HZPDHXFCSA-N 1 0 289.423 2.451 10 30 CEEERO C#CCOc1c(Br)cc(C[NH2+]C)cc1OC ZINC000037711851 361923243 /nfs/dbraw/zinc/92/32/43/361923243.db2.gz DSSNBKMQXBAQKM-UHFFFAOYSA-N 1 0 284.153 2.189 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1cccs1)[C@H](C)CC ZINC000105750538 539275798 /nfs/dbraw/zinc/27/57/98/539275798.db2.gz BBIODDJAVDPKQT-ZIAGYGMSSA-N 1 0 281.421 2.359 10 30 CEEERO C=CCn1ccc2ccn(CCC[NH+]3CCCC3)c(=O)c21 ZINC000065224766 343696481 /nfs/dbraw/zinc/69/64/81/343696481.db2.gz UCCDIFYMMVQDKG-UHFFFAOYSA-N 1 0 285.391 2.475 10 30 CEEERO N#Cc1cc(Cl)nc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000122683207 344307530 /nfs/dbraw/zinc/30/75/30/344307530.db2.gz ITTNBWKYRRCMMZ-UHFFFAOYSA-N 1 0 276.771 2.139 10 30 CEEERO CC[C@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@@H]1[NH3+] ZINC000123053928 344308895 /nfs/dbraw/zinc/30/88/95/344308895.db2.gz ZXEJYONKJSYAAY-AAEUAGOBSA-N 1 0 281.363 2.065 10 30 CEEERO C=CCOc1ccc(C[NH2+]C[C@H]2CN(CC)CCO2)cc1 ZINC000134439730 344374056 /nfs/dbraw/zinc/37/40/56/344374056.db2.gz JISDNBQXCMXUJQ-KRWDZBQOSA-N 1 0 290.407 2.062 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000156544639 344442476 /nfs/dbraw/zinc/44/24/76/344442476.db2.gz IBXAXLIDWZOESI-RNCFNFMXSA-N 1 0 299.296 2.129 10 30 CEEERO N#Cc1cc(Br)cc(NCCC[NH3+])c1 ZINC000227642783 344555956 /nfs/dbraw/zinc/55/59/56/344555956.db2.gz GIOOPNVEXDXRSP-UHFFFAOYSA-N 1 0 254.131 2.081 10 30 CEEERO COc1ccc(C[NH2+]C[C@@H]2CCc3nccn3C2)cc1C#N ZINC000328632638 344757508 /nfs/dbraw/zinc/75/75/08/344757508.db2.gz LLZXGSZASCJDAN-AWEZNQCLSA-N 1 0 296.374 2.116 10 30 CEEERO N#Cc1cc(Br)ccc1N1CCC[C@H](C[NH3+])C1 ZINC000229247445 539408979 /nfs/dbraw/zinc/40/89/79/539408979.db2.gz OJYYBOLGXPYCIA-SNVBAGLBSA-N 1 0 294.196 2.496 10 30 CEEERO N#Cc1cc2c(nc1NCCC1(C[NH3+])CC1)CCCC2 ZINC000404832170 344882629 /nfs/dbraw/zinc/88/26/29/344882629.db2.gz IWSWVENGCWDZHC-UHFFFAOYSA-N 1 0 270.380 2.373 10 30 CEEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594432800 345628269 /nfs/dbraw/zinc/62/82/69/345628269.db2.gz BWKMLGCWRCLMCB-AAEUAGOBSA-N 1 0 251.374 2.093 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085358196 179031136 /nfs/dbraw/zinc/03/11/36/179031136.db2.gz HDYWDGSEQMALBX-JQWIXIFHSA-N 1 0 263.728 2.278 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085370780 179040492 /nfs/dbraw/zinc/04/04/92/179040492.db2.gz UHTIDZCSANKLBH-KGLIPLIRSA-N 1 0 273.336 2.045 10 30 CEEERO C[NH2+]CCOCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000600952261 346715549 /nfs/dbraw/zinc/71/55/49/346715549.db2.gz UAQIMXXOBSWCTK-UHFFFAOYSA-N 1 0 287.285 2.225 10 30 CEEERO C[C@@H]1CC[C@H](Nc2ncc(Br)cc2C#N)C[NH2+]1 ZINC000600955488 346716556 /nfs/dbraw/zinc/71/65/56/346716556.db2.gz NLVRITFKOKNLHV-KCJUWKMLSA-N 1 0 295.184 2.268 10 30 CEEERO Cc1nc(N[C@@H]2CC[C@@H](C)[NH2+]C2)c(Cl)cc1C#N ZINC000600955871 346716672 /nfs/dbraw/zinc/71/66/72/346716672.db2.gz SVKHNIVBIPTAJU-LDYMZIIASA-N 1 0 264.760 2.468 10 30 CEEERO N#Cc1cc(NCC[C@H]([NH3+])Cc2ccccc2)ccn1 ZINC000600961558 346719948 /nfs/dbraw/zinc/71/99/48/346719948.db2.gz SNRFNMODBMCPEK-AWEZNQCLSA-N 1 0 266.348 2.325 10 30 CEEERO C[C@@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1Br ZINC000600962915 346720529 /nfs/dbraw/zinc/72/05/29/346720529.db2.gz PDYRDWBXKGQYSN-SCZZXKLOSA-N 1 0 280.169 2.247 10 30 CEEERO N#Cc1cnc2ccccc2c1NC[C@H]([NH3+])C1CC1 ZINC000129312017 365846613 /nfs/dbraw/zinc/84/66/13/365846613.db2.gz KLRDKYVMLOALEV-ZDUSSCGKSA-N 1 0 252.321 2.256 10 30 CEEERO CC1(CNc2c(C#N)nnc3ccccc32)CC[NH2+]CC1 ZINC000129481957 365864416 /nfs/dbraw/zinc/86/44/16/365864416.db2.gz TVFNLDLGBATEEG-UHFFFAOYSA-N 1 0 281.363 2.303 10 30 CEEERO CC[N@@H+]1CC[C@@H](CNc2c(C#N)nnc3ccccc32)C1 ZINC000085920019 179199865 /nfs/dbraw/zinc/19/98/65/179199865.db2.gz LPJDUYUSGOSWLU-LBPRGKRZSA-N 1 0 281.363 2.255 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1c(C#N)nnc2ccccc21 ZINC000085920879 179200358 /nfs/dbraw/zinc/20/03/58/179200358.db2.gz JODTUGLZKTUEPB-ABAIWWIYSA-N 1 0 281.363 2.208 10 30 CEEERO C[C@H](Nc1c(C#N)nnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000085920794 179200672 /nfs/dbraw/zinc/20/06/72/179200672.db2.gz SJIFCYNSZPDWSV-RYUDHWBXSA-N 1 0 281.363 2.301 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000066224334 362857098 /nfs/dbraw/zinc/85/70/98/362857098.db2.gz ZMMXHIBHILATIS-UHFFFAOYSA-N 1 0 254.717 2.063 10 30 CEEERO CCC1CCC(O)(C[NH2+]Cc2ccnc(C#N)c2)CC1 ZINC000087065912 179390028 /nfs/dbraw/zinc/39/00/28/179390028.db2.gz DUASJJPIVORWJM-UHFFFAOYSA-N 1 0 273.380 2.374 10 30 CEEERO COc1ccc([C@@H]2[C@H](C[NH3+])CCN2C2CC2)cc1C#N ZINC000087823217 179494199 /nfs/dbraw/zinc/49/41/99/179494199.db2.gz XLSKQOIJGBYJTR-BLLLJJGKSA-N 1 0 271.364 2.051 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000088191388 179562271 /nfs/dbraw/zinc/56/22/71/179562271.db2.gz UVHKRRJHXLVSFU-VIFPVBQESA-N 1 0 283.253 2.125 10 30 CEEERO CN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089112870 179706645 /nfs/dbraw/zinc/70/66/45/179706645.db2.gz IMROFXMZJXNXJR-ZWNOBZJWSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1nc2ccccc2cc1C#N ZINC000090328153 179959960 /nfs/dbraw/zinc/95/99/60/179959960.db2.gz CPHIVONOSRVMOP-KCPJHIHWSA-N 1 0 278.359 2.151 10 30 CEEERO C=CCCC(=O)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000090700490 180027675 /nfs/dbraw/zinc/02/76/75/180027675.db2.gz LRNYPEVXAZSXSC-AWEZNQCLSA-N 1 0 282.453 2.383 10 30 CEEERO CCC[NH2+]Cc1cccc(SCC(=O)NCCC#N)c1 ZINC000090871623 180050204 /nfs/dbraw/zinc/05/02/04/180050204.db2.gz DMSZFBJKOAEHOR-UHFFFAOYSA-N 1 0 291.420 2.308 10 30 CEEERO CSc1cccc(NC(=O)c2ccncc2C#CC[NH3+])c1 ZINC000091460815 180161792 /nfs/dbraw/zinc/16/17/92/180161792.db2.gz OPGVISSMJPMVPD-UHFFFAOYSA-N 1 0 297.383 2.366 10 30 CEEERO CCCCCN(C(=O)c1ccncc1C#CC[NH3+])C(C)C ZINC000091462492 180162127 /nfs/dbraw/zinc/16/21/27/180162127.db2.gz HUMQTHNCEAQHKN-UHFFFAOYSA-N 1 0 287.407 2.433 10 30 CEEERO CC1(C)C(C(=O)NCc2ccc(C#CC[NH3+])s2)C1(C)C ZINC000091493015 180170728 /nfs/dbraw/zinc/17/07/28/180170728.db2.gz FXDJKFUUJAQLQF-UHFFFAOYSA-N 1 0 290.432 2.357 10 30 CEEERO C=CCCC[C@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091643101 180213832 /nfs/dbraw/zinc/21/38/32/180213832.db2.gz CREOJIWFZCXWDL-AWEZNQCLSA-N 1 0 252.402 2.315 10 30 CEEERO C=CCCC[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091643102 180214219 /nfs/dbraw/zinc/21/42/19/180214219.db2.gz CREOJIWFZCXWDL-CQSZACIVSA-N 1 0 252.402 2.315 10 30 CEEERO CC[NH2+][C@@H](C)c1cccn1Cc1cccnc1C#N ZINC000091801437 180258705 /nfs/dbraw/zinc/25/87/05/180258705.db2.gz PXQYTUOMSMKSRF-LBPRGKRZSA-N 1 0 254.337 2.474 10 30 CEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000092112284 180327229 /nfs/dbraw/zinc/32/72/29/180327229.db2.gz YVJJQCVVXBPLGO-BETUJISGSA-N 1 0 270.376 2.033 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000092133213 180330633 /nfs/dbraw/zinc/33/06/33/180330633.db2.gz NINKJNJFXKACMS-QMMMGPOBSA-N 1 0 251.717 2.006 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000105857031 186079228 /nfs/dbraw/zinc/07/92/28/186079228.db2.gz DZCHMBQYBYJJCT-UHFFFAOYSA-N 1 0 264.394 2.143 10 30 CEEERO N#CCc1nc2ccccc2n1Cc1cc(N)cc[nH+]1 ZINC000092419822 180382027 /nfs/dbraw/zinc/38/20/27/180382027.db2.gz RDAIEACAWKEFAS-UHFFFAOYSA-N 1 0 263.304 2.128 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccc(OCC)cc1 ZINC000092474299 180393955 /nfs/dbraw/zinc/39/39/55/180393955.db2.gz PSBISGRWVPLXJG-LBPRGKRZSA-N 1 0 262.353 2.038 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@H](C)c1cc(F)ccc1F ZINC000092474679 180393988 /nfs/dbraw/zinc/39/39/88/180393988.db2.gz NTQOQKKVZVSUAG-SNVBAGLBSA-N 1 0 268.307 2.260 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](CCC)c1cccs1 ZINC000092475570 180394070 /nfs/dbraw/zinc/39/40/70/180394070.db2.gz MVALLGJFXYJEKC-NSHDSACASA-N 1 0 252.383 2.481 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H]1CCCc2sccc21 ZINC000092475747 180394111 /nfs/dbraw/zinc/39/41/11/180394111.db2.gz QFRNVAWXAWAOCA-NSHDSACASA-N 1 0 250.367 2.017 10 30 CEEERO CCC[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000110250483 186288431 /nfs/dbraw/zinc/28/84/31/186288431.db2.gz AVWLBEUNJQDURO-KGLIPLIRSA-N 1 0 263.385 2.013 10 30 CEEERO CCC[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000110250486 186288554 /nfs/dbraw/zinc/28/85/54/186288554.db2.gz AVWLBEUNJQDURO-UONOGXRCSA-N 1 0 263.385 2.013 10 30 CEEERO CN(CC1CCCC1)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000110847590 186328983 /nfs/dbraw/zinc/32/89/83/186328983.db2.gz RQAYVBWKJPJYSB-UHFFFAOYSA-N 1 0 270.376 2.259 10 30 CEEERO CCN(Cc1cn2ccccc2c1C#N)[C@@H]1CCC[NH2+]C1 ZINC000110944127 186335549 /nfs/dbraw/zinc/33/55/49/186335549.db2.gz WYOMMFJSDXYNHO-OAHLLOKOSA-N 1 0 282.391 2.385 10 30 CEEERO N#CCc1nc2ccccc2n1C[C@@H]1CCCC[NH2+]1 ZINC000110952046 186336511 /nfs/dbraw/zinc/33/65/11/186336511.db2.gz WPQGDVHJNRENOV-LBPRGKRZSA-N 1 0 254.337 2.244 10 30 CEEERO CCC[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)NCC#N ZINC000110961831 186337238 /nfs/dbraw/zinc/33/72/38/186337238.db2.gz OQFOYHJYCQQCSM-CYBMUJFWSA-N 1 0 289.379 2.074 10 30 CEEERO CCCOCCOCc1ccc(C#CC[NH3+])cc1F ZINC000111109711 186353720 /nfs/dbraw/zinc/35/37/20/186353720.db2.gz DKDUWNQKGFYPMN-UHFFFAOYSA-N 1 0 265.328 2.079 10 30 CEEERO [NH3+]CC#Cc1cccc(CSc2ccncn2)c1 ZINC000111114983 186353736 /nfs/dbraw/zinc/35/37/36/186353736.db2.gz LLHLXZSKVDDYJY-UHFFFAOYSA-N 1 0 255.346 2.079 10 30 CEEERO [NH3+]CC#Cc1cnc(NC(=O)c2ccc3[nH]ccc3c2)s1 ZINC000111289324 186390839 /nfs/dbraw/zinc/39/08/39/186390839.db2.gz JLROUKFSNBKLEE-UHFFFAOYSA-N 1 0 296.355 2.187 10 30 CEEERO N#Cc1cc(Cl)ccc1NCCOC1CC[NH2+]CC1 ZINC000111755840 186453568 /nfs/dbraw/zinc/45/35/68/186453568.db2.gz SUQRPQILRZZWTR-UHFFFAOYSA-N 1 0 279.771 2.392 10 30 CEEERO C=CCC[C@H](C[N@@H+]1CCCOCC1)Oc1nccc(C)n1 ZINC000072477285 363137507 /nfs/dbraw/zinc/13/75/07/363137507.db2.gz GWZLXTSMPXUPAJ-OAHLLOKOSA-N 1 0 291.395 2.221 10 30 CEEERO N#Cc1cc2c(nc1N1CCC[C@@H](CC[NH3+])C1)CCC2 ZINC000070171369 283115610 /nfs/dbraw/zinc/11/56/10/283115610.db2.gz URVYCCGLRSQGPK-LBPRGKRZSA-N 1 0 270.380 2.007 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CCC([NH3+])CC1 ZINC000036913267 283242271 /nfs/dbraw/zinc/24/22/71/283242271.db2.gz YFFSZIDNJPDTIU-UHFFFAOYSA-N 1 0 252.321 2.034 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000229255643 540419844 /nfs/dbraw/zinc/41/98/44/540419844.db2.gz HKDUQCGABYWWSU-VHSXEESVSA-N 1 0 294.196 2.494 10 30 CEEERO CCO[C@H](C(=[NH2+])NCCCOC)c1ccccc1 ZINC000001997992 361224866 /nfs/dbraw/zinc/22/48/66/361224866.db2.gz BBQNGOYFTFLRQE-ZDUSSCGKSA-N 1 0 250.342 2.158 10 30 CEEERO Cc1cccc[n+]1CC(=O)[C@@H](C#N)c1ccccc1 ZINC000003268597 361270640 /nfs/dbraw/zinc/27/06/40/361270640.db2.gz YVUCRLGDPDSHEE-HNNXBMFYSA-N 1 0 251.309 2.159 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc(C#N)cc1 ZINC000083551011 363779658 /nfs/dbraw/zinc/77/96/58/363779658.db2.gz LVOOIOWLVPVPIN-GOEBONIOSA-N 1 0 285.391 2.106 10 30 CEEERO N#Cc1ccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000090824810 364066784 /nfs/dbraw/zinc/06/67/84/364066784.db2.gz GIYOENKARHSWRZ-MRXNPFEDSA-N 1 0 285.391 2.107 10 30 CEEERO C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1[NH3+] ZINC000094342518 364268495 /nfs/dbraw/zinc/26/84/95/364268495.db2.gz GRWRFPQSOFNBDK-RISCZKNCSA-N 1 0 270.380 2.006 10 30 CEEERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(=O)Nc1ccccc1C#N ZINC000183087273 299343614 /nfs/dbraw/zinc/34/36/14/299343614.db2.gz HEUBZYGQGDSFQL-HUBLWGQQSA-N 1 0 287.363 2.042 10 30 CEEERO C[N@H+](CCCCC#N)[C@@H]1CCCN(c2cccnn2)C1 ZINC000105804199 364702645 /nfs/dbraw/zinc/70/26/45/364702645.db2.gz AHFWRPVDLCIHDA-CQSZACIVSA-N 1 0 273.384 2.071 10 30 CEEERO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335588128 212300653 /nfs/dbraw/zinc/30/06/53/212300653.db2.gz FRWSMIQKDPVGDC-ZWNOBZJWSA-N 1 0 264.756 2.414 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](CCOc3ccccc3C#N)C2)cn1 ZINC000116322445 365051847 /nfs/dbraw/zinc/05/18/47/365051847.db2.gz GAWMBDPKEJCXQY-HNNXBMFYSA-N 1 0 296.374 2.160 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)cc2C)C1 ZINC000121038235 365514825 /nfs/dbraw/zinc/51/48/25/365514825.db2.gz KTARECGSTOANFH-CQSZACIVSA-N 1 0 271.364 2.081 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000176291890 368221022 /nfs/dbraw/zinc/22/10/22/368221022.db2.gz NDZZKOLHVDZMQY-LLVKDONJSA-N 1 0 293.317 2.051 10 30 CEEERO C=C(Br)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246279118 370941350 /nfs/dbraw/zinc/94/13/50/370941350.db2.gz AUQGCULFZIBMHW-NSHDSACASA-N 1 0 259.191 2.065 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1F ZINC000192027116 369765344 /nfs/dbraw/zinc/76/53/44/369765344.db2.gz DSHMUZCSXBNMSC-AWEZNQCLSA-N 1 0 299.353 2.201 10 30 CEEERO N#Cc1cccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000207096012 370156914 /nfs/dbraw/zinc/15/69/14/370156914.db2.gz TWAURBZTDDFVCK-OAHLLOKOSA-N 1 0 265.316 2.067 10 30 CEEERO C[C@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@@H]1[NH+](C)C ZINC000222966309 370259682 /nfs/dbraw/zinc/25/96/82/370259682.db2.gz WQKVDQBYVASYEP-NHYWBVRUSA-N 1 0 261.344 2.079 10 30 CEEERO Cc1nccn1C[C@@H]1CCCN1C[C@@H](C#N)CCC#N ZINC000247097522 371064140 /nfs/dbraw/zinc/06/41/40/371064140.db2.gz QCODXMMKDMHAQH-CABCVRRESA-N 1 0 271.368 2.099 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc(C#N)c1 ZINC000247524612 371119393 /nfs/dbraw/zinc/11/93/93/371119393.db2.gz WZHXGNMVPYZCIE-HOCLYGCPSA-N 1 0 285.391 2.106 10 30 CEEERO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000233027627 189819135 /nfs/dbraw/zinc/81/91/35/189819135.db2.gz WFSXTEOLBUJHOQ-UHFFFAOYSA-N 1 0 289.339 2.148 10 30 CEEERO C[C@H]1CCN(C(=O)Nc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000235633424 189829178 /nfs/dbraw/zinc/82/91/78/189829178.db2.gz BJNUCQAYOUGMQI-FZMZJTMJSA-N 1 0 272.352 2.149 10 30 CEEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCCC#N ZINC000249730050 371357298 /nfs/dbraw/zinc/35/72/98/371357298.db2.gz YUVAEGVFWHEQHF-MJBXVCDLSA-N 1 0 264.369 2.486 10 30 CEEERO COCC[N@@H+]1CCN([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000246359943 285051596 /nfs/dbraw/zinc/05/15/96/285051596.db2.gz KZKMOFUFYPZCNE-LSDHHAIUSA-N 1 0 287.407 2.272 10 30 CEEERO C#CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000094010496 184749913 /nfs/dbraw/zinc/74/99/13/184749913.db2.gz GUEHGIGGZUADNK-UHFFFAOYSA-N 1 0 266.385 2.246 10 30 CEEERO CC(C)N(CC1CC[NH2+]CC1)c1cc(C#N)ccn1 ZINC000094044332 184752658 /nfs/dbraw/zinc/75/26/58/184752658.db2.gz WJDNUWIZKYLAQQ-UHFFFAOYSA-N 1 0 258.369 2.168 10 30 CEEERO CC[NH2+][C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1=O ZINC000086115335 135038448 /nfs/dbraw/zinc/03/84/48/135038448.db2.gz HUHHMBOXHDEKKB-GFCCVEGCSA-N 1 0 277.755 2.317 10 30 CEEERO C[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1[NH3+] ZINC000235697275 394484362 /nfs/dbraw/zinc/48/43/62/394484362.db2.gz JVMDTFZGWBMRPT-KWQFWETISA-N 1 0 269.270 2.360 10 30 CEEERO COC[C@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000309650433 394531807 /nfs/dbraw/zinc/53/18/07/394531807.db2.gz NVOGVZLWPQXUQI-VIFPVBQESA-N 1 0 283.169 2.445 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CC[C@@H]([NH3+])[C@H]3C1)CCCC2 ZINC000261602330 394604213 /nfs/dbraw/zinc/60/42/13/394604213.db2.gz BZHBHHZTERKURN-AEGPPILISA-N 1 0 282.391 2.006 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089709891 394649597 /nfs/dbraw/zinc/64/95/97/394649597.db2.gz NTHJACGEFARTGW-CQSZACIVSA-N 1 0 278.359 2.391 10 30 CEEERO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C#N)c(C)n1 ZINC000129089322 394858895 /nfs/dbraw/zinc/85/88/95/394858895.db2.gz NLBZZZQMFRRHNW-GDBMZVCRSA-N 1 0 284.407 2.491 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000131107944 394903382 /nfs/dbraw/zinc/90/33/82/394903382.db2.gz DLWTWOATWVARCE-GDLCADMTSA-N 1 0 286.335 2.030 10 30 CEEERO C[C@@H]([NH3+])CCNc1ccc(C#N)cc1Br ZINC000169224464 165036060 /nfs/dbraw/zinc/03/60/60/165036060.db2.gz WBEXVFUZQJVMES-MRVPVSSYSA-N 1 0 268.158 2.470 10 30 CEEERO C#CC[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000037298342 173102803 /nfs/dbraw/zinc/10/28/03/173102803.db2.gz LALZFYHBZAOZLD-UHFFFAOYSA-N 1 0 259.309 2.104 10 30 CEEERO Cc1cc(C)c(C#N)c(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000040746360 174391639 /nfs/dbraw/zinc/39/16/39/174391639.db2.gz NCTWGVHONZMARB-FUNVUKJBSA-N 1 0 256.353 2.265 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CCC#N)C(C)C ZINC000043348353 175018455 /nfs/dbraw/zinc/01/84/55/175018455.db2.gz NNCXYJAJGNLSDI-CABCVRRESA-N 1 0 260.385 2.484 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccncc1)N(CCC#N)C1CC1 ZINC000043354646 175022547 /nfs/dbraw/zinc/02/25/47/175022547.db2.gz WQFWDZZRGXJHDA-CABCVRRESA-N 1 0 258.369 2.238 10 30 CEEERO CC[C@@H]([NH3+])[C@H](N(CC)C[C@@H](C)C#N)C(F)(F)F ZINC000043378886 175031030 /nfs/dbraw/zinc/03/10/30/175031030.db2.gz ARCOJFPATWCKQR-AEJSXWLSSA-N 1 0 251.296 2.136 10 30 CEEERO C[NH+]1CCC(NC(=O)C2(C#N)CCCCCC2)CC1 ZINC000044765601 175249132 /nfs/dbraw/zinc/24/91/32/175249132.db2.gz NSWDDSTYUFIZIN-UHFFFAOYSA-N 1 0 263.385 2.061 10 30 CEEERO C[N@@H+]1CCC[C@@H](CNC(=O)C2(C#N)CCCCCC2)C1 ZINC000044767394 175250100 /nfs/dbraw/zinc/25/01/00/175250100.db2.gz OTGRSIQUDPEVPB-AWEZNQCLSA-N 1 0 277.412 2.309 10 30 CEEERO CCCN[C@](C)(C#N)CN1CCC([NH+]2CCCCC2)CC1 ZINC000045176708 175323416 /nfs/dbraw/zinc/32/34/16/175323416.db2.gz MIOQIKMHKWGGMG-QGZVFWFLSA-N 1 0 292.471 2.219 10 30 CEEERO C[C@](C#N)(CC[N@@H+]1CCc2ccccc2C1)NC1CC1 ZINC000045179487 175324225 /nfs/dbraw/zinc/32/42/25/175324225.db2.gz PTDIYRHSFJMOSO-QGZVFWFLSA-N 1 0 269.392 2.469 10 30 CEEERO CCOC1CC[NH+](CC[C@](C)(C#N)NC(C)C)CC1 ZINC000045181562 175324600 /nfs/dbraw/zinc/32/46/00/175324600.db2.gz SEQWWMXODFAJIW-OAHLLOKOSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@](C)(C#N)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000045181575 175324900 /nfs/dbraw/zinc/32/49/00/175324900.db2.gz DCTIFUDSOYXHEZ-KRWDZBQOSA-N 1 0 292.471 2.219 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045181888 175325093 /nfs/dbraw/zinc/32/50/93/175325093.db2.gz OFECKOZMRNYXAG-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](C)C1CCOCC1 ZINC000045311845 175356874 /nfs/dbraw/zinc/35/68/74/175356874.db2.gz PCNJHVKKUBXIFR-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO COCC[N@H+](CCCC[C@@](C)(N)C#N)CC(C)C ZINC000045315008 175357221 /nfs/dbraw/zinc/35/72/21/175357221.db2.gz UQZNVAQIHGAJJX-CQSZACIVSA-N 1 0 255.406 2.002 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@@H+]1CCOC[C@@H]1CC ZINC000045312027 175357386 /nfs/dbraw/zinc/35/73/86/175357386.db2.gz VFJNVSROXWYSJJ-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316608 175357862 /nfs/dbraw/zinc/35/78/62/175357862.db2.gz XMMRBLWARWLVQH-LSDHHAIUSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316596 175358124 /nfs/dbraw/zinc/35/81/24/175358124.db2.gz HWJLBXMMHGOJGQ-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO C#CC(C)(C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000070119297 175872692 /nfs/dbraw/zinc/87/26/92/175872692.db2.gz QISDQRAMRMRZHK-UHFFFAOYSA-N 1 0 295.180 2.389 10 30 CEEERO C#CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000070246477 175883814 /nfs/dbraw/zinc/88/38/14/175883814.db2.gz KXVKQAYUIVHLJC-JTQLQIEISA-N 1 0 288.174 2.346 10 30 CEEERO CCC[C@@H]1C[C@@](C#N)(NCC[NH+](CC)CC)CCO1 ZINC000070367263 175896606 /nfs/dbraw/zinc/89/66/06/175896606.db2.gz NEWLTVKLRYDNIV-CABCVRRESA-N 1 0 267.417 2.159 10 30 CEEERO CCCCCCNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000070469053 175948839 /nfs/dbraw/zinc/94/88/39/175948839.db2.gz DKADOENOPNAFCZ-UHFFFAOYSA-N 1 0 258.365 2.307 10 30 CEEERO CC[NH2+]C[C@@H](C)CN(CCC#N)Cc1cccnc1 ZINC000070526027 175970582 /nfs/dbraw/zinc/97/05/82/175970582.db2.gz BIBRVYNIWXWJMC-CQSZACIVSA-N 1 0 260.385 2.043 10 30 CEEERO N#CCOc1cccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000070575141 175990368 /nfs/dbraw/zinc/99/03/68/175990368.db2.gz JKRKVSZJIWSHMJ-NEPJUHHUSA-N 1 0 273.336 2.045 10 30 CEEERO N#Cc1cc2ccccc2nc1NC[C@@H]1CCC[NH2+]1 ZINC000071386084 176147391 /nfs/dbraw/zinc/14/73/91/176147391.db2.gz FJOIHEFRSGWDJL-ZDUSSCGKSA-N 1 0 252.321 2.270 10 30 CEEERO C=CCNC(=O)[C@@H](CC[NH3+])c1c(C)cc(C)cc1C ZINC000076670941 177053731 /nfs/dbraw/zinc/05/37/31/177053731.db2.gz HYJSOAHHJOTELK-AWEZNQCLSA-N 1 0 260.381 2.346 10 30 CEEERO CCc1nnc(N[C@H](C)C[C@H](C)[NH3+])c(C#N)c1CC ZINC000320652277 266458246 /nfs/dbraw/zinc/45/82/46/266458246.db2.gz GUKJQYCPEPLXED-VHSXEESVSA-N 1 0 261.373 2.011 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(F)c1 ZINC000398988018 270364685 /nfs/dbraw/zinc/36/46/85/270364685.db2.gz GKQTVGYBBVTFPI-NWANDNLSSA-N 1 0 274.339 2.290 10 30 CEEERO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1 ZINC000398987027 270365316 /nfs/dbraw/zinc/36/53/16/270365316.db2.gz FXIKAAMJKXRTBQ-GZBFAFLISA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2cccc(Br)c2C#N)CC[NH2+]1 ZINC000161815045 274364963 /nfs/dbraw/zinc/36/49/63/274364963.db2.gz UOOCEHSTBHRFFO-SECBINFHSA-N 1 0 280.169 2.119 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1cccc(Br)c1C#N ZINC000169106100 274399778 /nfs/dbraw/zinc/39/97/78/274399778.db2.gz KQEYNDVRSWRJSJ-NXEZZACHSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000085921041 278313394 /nfs/dbraw/zinc/31/33/94/278313394.db2.gz SCIWHJNAWGMLBY-VXGBXAGGSA-N 1 0 281.363 2.065 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000085921043 279419968 /nfs/dbraw/zinc/41/99/68/279419968.db2.gz SCIWHJNAWGMLBY-RYUDHWBXSA-N 1 0 281.363 2.065 10 30 CEEERO N#Cc1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382465269 321840590 /nfs/dbraw/zinc/84/05/90/321840590.db2.gz LKSZAVWURSCTEZ-KOLCDFICSA-N 1 0 260.297 2.006 10 30 CEEERO C=CCC[C@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)C1CC1 ZINC000180618396 329221439 /nfs/dbraw/zinc/22/14/39/329221439.db2.gz AVANCJCWGYRAIG-KBPBESRZSA-N 1 0 274.412 2.490 10 30 CEEERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)CC2 ZINC000248993963 329903461 /nfs/dbraw/zinc/90/34/61/329903461.db2.gz OJNJSICEXBFZDH-MGPQQGTHSA-N 1 0 287.411 2.388 10 30 CEEERO CC[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261732663 329980220 /nfs/dbraw/zinc/98/02/20/329980220.db2.gz YIVRXTJNJKQJAM-RRFJBIMHSA-N 1 0 291.439 2.299 10 30 CEEERO CC[NH+]=C(N[C@H]1CC1(C)C)N(C)Cc1cccn1C ZINC000261992385 329994972 /nfs/dbraw/zinc/99/49/72/329994972.db2.gz RQKKEPVHVKOJTG-ZDUSSCGKSA-N 1 0 262.401 2.221 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCc1ncccc1C ZINC000262329146 330006306 /nfs/dbraw/zinc/00/63/06/330006306.db2.gz APKUFYOQNJUWAL-UHFFFAOYSA-N 1 0 284.363 2.463 10 30 CEEERO C[NH+]=C(NCC(C)(C)C)NC[C@@](C)(O)c1ccc(C)o1 ZINC000262377255 330011506 /nfs/dbraw/zinc/01/15/06/330011506.db2.gz KVYODULFCDGUGX-OAHLLOKOSA-N 1 0 281.400 2.007 10 30 CEEERO C[C@@H]1C[NH+]=C(N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)N1 ZINC000262475903 330016006 /nfs/dbraw/zinc/01/60/06/330016006.db2.gz CAFLVWBZUVGZIL-JFUSQASVSA-N 1 0 281.306 2.081 10 30 CEEERO C[C@H]1C[NH+]=C(N[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)N1 ZINC000262475904 330016062 /nfs/dbraw/zinc/01/60/62/330016062.db2.gz CAFLVWBZUVGZIL-KPXOXKRLSA-N 1 0 281.306 2.081 10 30 CEEERO Cc1c2ccccc2n(C)c1C[NH+]=C(N(C)C)N(C)C ZINC000262498114 330017871 /nfs/dbraw/zinc/01/78/71/330017871.db2.gz XGRWHJWYROQFEX-UHFFFAOYSA-N 1 0 272.396 2.466 10 30 CEEERO CC[C@@H](C)NC(=[NH2+])NC[C@@H](O)c1ccc(Cl)s1 ZINC000262687136 330027254 /nfs/dbraw/zinc/02/72/54/330027254.db2.gz VJAXCWOITDYKFI-HTQZYQBOSA-N 1 0 275.805 2.138 10 30 CEEERO CC[NH+]=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCC[C@@H](C)C1 ZINC000262766542 330030088 /nfs/dbraw/zinc/03/00/88/330030088.db2.gz GDKYFIFWHKMXKX-MXWKQRLJSA-N 1 0 295.349 2.043 10 30 CEEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000263207776 330049152 /nfs/dbraw/zinc/04/91/52/330049152.db2.gz YNSHZKDCFTUHDV-AAEUAGOBSA-N 1 0 255.431 2.175 10 30 CEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CCC[C@@H](C(=O)OCC)C1 ZINC000263259864 330050814 /nfs/dbraw/zinc/05/08/14/330050814.db2.gz SGUJODSMQWLTCN-CHWSQXEVSA-N 1 0 295.427 2.026 10 30 CEEERO CCc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424068358 330219568 /nfs/dbraw/zinc/21/95/68/330219568.db2.gz RPFIYEAPCPAFBG-DOMZBBRYSA-N 1 0 273.380 2.447 10 30 CEEERO CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCC#N)CC1 ZINC000191977857 333228083 /nfs/dbraw/zinc/22/80/83/333228083.db2.gz IMIFBXZWVRRGLN-UHFFFAOYSA-N 1 0 295.427 2.028 10 30 CEEERO C[C@H](C#N)C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130986952 333892854 /nfs/dbraw/zinc/89/28/54/333892854.db2.gz YLNHEIGGISEFMH-OLZOCXBDSA-N 1 0 281.400 2.383 10 30 CEEERO CC[NH2+]C(C)(C)C(=O)N(CCC#N)c1ccccc1 ZINC000061288245 519904148 /nfs/dbraw/zinc/90/41/48/519904148.db2.gz NIXGGNQEMWWJLD-UHFFFAOYSA-N 1 0 259.353 2.321 10 30 CEEERO CCCN[C@@H](C#N)CC[N@H+](CCOC)[C@@H](C)CC ZINC000062437402 519982627 /nfs/dbraw/zinc/98/26/27/519982627.db2.gz JPNHFAQKURANQS-UONOGXRCSA-N 1 0 255.406 2.015 10 30 CEEERO CC[C@@H](C)N1CC[NH+](CC2(C=O)CCCC2)CC1 ZINC000055071413 522118857 /nfs/dbraw/zinc/11/88/57/522118857.db2.gz DJNAYEWJBIZXKT-CQSZACIVSA-N 1 0 252.402 2.162 10 30 CEEERO Cc1ccc(NC(=O)C[C@@H]2CCCCO2)c(C#CC[NH3+])c1 ZINC000095032768 518189262 /nfs/dbraw/zinc/18/92/62/518189262.db2.gz JJEOPKMZTTVPEA-HNNXBMFYSA-N 1 0 286.375 2.203 10 30 CEEERO CC(C)(C)[NH2+]Cc1nccn1Cc1cccnc1C#N ZINC000061659615 518767627 /nfs/dbraw/zinc/76/76/27/518767627.db2.gz HTRBVSLXVFJLPZ-UHFFFAOYSA-N 1 0 269.352 2.086 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615638 519735470 /nfs/dbraw/zinc/73/54/70/519735470.db2.gz XGKNERJIGHBFEE-BRWVUGGUSA-N 1 0 292.471 2.215 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616501 519735541 /nfs/dbraw/zinc/73/55/41/519735541.db2.gz JWPOIKHWCYVNSE-OWCLPIDISA-N 1 0 281.444 2.404 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616442 519735769 /nfs/dbraw/zinc/73/57/69/519735769.db2.gz OXKHVWUEYBQLFK-GDBMZVCRSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611662 519739345 /nfs/dbraw/zinc/73/93/45/519739345.db2.gz IBAWXIQWNJHKLA-HOTGVXAUSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C#N)c1ccccc1 ZINC000061615024 519775317 /nfs/dbraw/zinc/77/53/17/519775317.db2.gz MZESPNTUVIMCQO-JKSUJKDBSA-N 1 0 287.407 2.386 10 30 CEEERO CC(C)[C@H](CN(C)C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000049198064 519814507 /nfs/dbraw/zinc/81/45/07/519814507.db2.gz CDLGSPCJXCYDGF-INIZCTEOSA-N 1 0 275.396 2.265 10 30 CEEERO CCC[NH2+]C[C@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000068760856 519935318 /nfs/dbraw/zinc/93/53/18/519935318.db2.gz YVXZXXYSHQPSLB-MRXNPFEDSA-N 1 0 272.396 2.307 10 30 CEEERO CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cc(C#N)ccc1F ZINC000061272236 520060314 /nfs/dbraw/zinc/06/03/14/520060314.db2.gz BNONDDMILXBTRO-NSHDSACASA-N 1 0 277.343 2.044 10 30 CEEERO CC[N@@H+](Cc1ccc(F)c(C#CCO)c1)CC1CC1 ZINC000069239046 521313061 /nfs/dbraw/zinc/31/30/61/521313061.db2.gz BJXWABAYIKQILP-UHFFFAOYSA-N 1 0 261.340 2.401 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049105798 522358508 /nfs/dbraw/zinc/35/85/08/522358508.db2.gz VSONWXCLKJGVMV-OLZOCXBDSA-N 1 0 258.365 2.161 10 30 CEEERO COCC[N@H+](CC[C@H](C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000062437294 523727173 /nfs/dbraw/zinc/72/71/73/523727173.db2.gz SWVPWWQMURTLOM-DZGCQCFKSA-N 1 0 267.417 2.014 10 30 CEEERO CC[C@H](C#N)Oc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731975 523750942 /nfs/dbraw/zinc/75/09/42/523750942.db2.gz IHKZPSSTVXVPHR-CYBMUJFWSA-N 1 0 278.352 2.112 10 30 CEEERO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000054306876 525131570 /nfs/dbraw/zinc/13/15/70/525131570.db2.gz SDSUFHDSMZMCCJ-TZMCWYRMSA-N 1 0 271.364 2.125 10 30 CEEERO N#Cc1cc(COc2cccc3c2CC[C@@H]3[NH3+])ccn1 ZINC000068750769 526551722 /nfs/dbraw/zinc/55/17/22/526551722.db2.gz QECOZWMUMRUHMX-HNNXBMFYSA-N 1 0 265.316 2.478 10 30 CEEERO N#Cc1cc(COc2cccc(CC[NH3+])c2)ccn1 ZINC000068759140 526552010 /nfs/dbraw/zinc/55/20/10/526552010.db2.gz FIVSNVNNUFPYJV-UHFFFAOYSA-N 1 0 253.305 2.033 10 30 CEEERO N#Cc1cc(OC2CC[NH2+]CC2)nc2ccccc12 ZINC000068771606 526575090 /nfs/dbraw/zinc/57/50/90/526575090.db2.gz PXZZCMXMSRLWPR-UHFFFAOYSA-N 1 0 253.305 2.237 10 30 CEEERO N#Cc1ccc(Cn2ccnc2C[NH2+]C2CC2)cc1 ZINC000051014910 526636622 /nfs/dbraw/zinc/63/66/22/526636622.db2.gz HZXJHMSSFMUOKN-UHFFFAOYSA-N 1 0 252.321 2.055 10 30 CEEERO CCCCCCCS(=O)(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000195129226 628527038 /nfs/dbraw/zinc/52/70/38/628527038.db2.gz DJVOXSMUCRKVER-AWEZNQCLSA-N 1 0 290.473 2.361 10 30 CEEERO CCCN(c1nc(C)c(C#N)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000261587095 628941092 /nfs/dbraw/zinc/94/10/92/628941092.db2.gz JFOVCAWFNLAVPQ-LBPRGKRZSA-N 1 0 278.787 2.493 10 30 CEEERO COC[C@@]1(CNc2ccc(C#N)c(Cl)c2)CCC[NH2+]1 ZINC000261594407 628942414 /nfs/dbraw/zinc/94/24/14/628942414.db2.gz NOZGBTZOYMALEG-AWEZNQCLSA-N 1 0 279.771 2.392 10 30 CEEERO C#CCCCCC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000119947845 646951331 /nfs/dbraw/zinc/95/13/31/646951331.db2.gz GVXJMXDYPWWEEN-AWEZNQCLSA-N 1 0 250.386 2.123 10 30 CEEERO CCc1nnc(N[C@H](C)[C@H]2CCC[NH2+]C2)c(C#N)c1CC ZINC000125483246 187187123 /nfs/dbraw/zinc/18/71/23/187187123.db2.gz KAWVPXZAUQFCCO-NEPJUHHUSA-N 1 0 287.411 2.273 10 30 CEEERO [NH3+]CCCC#Cc1c[nH]c2cncc(Br)c12 ZINC000725246314 539191877 /nfs/dbraw/zinc/19/18/77/539191877.db2.gz UWDVVCOQXZIQEA-UHFFFAOYSA-N 1 0 278.153 2.416 10 30 CEEERO C[C@@]1(CNc2cccc(C#N)c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000126668368 187254700 /nfs/dbraw/zinc/25/47/00/187254700.db2.gz HHNHNNQXVSEGSO-CQSZACIVSA-N 1 0 274.324 2.268 10 30 CEEERO C#CC1(O)CC[NH+]([C@@H]2CCc3ccccc3C2)CC1 ZINC000003601022 343352671 /nfs/dbraw/zinc/35/26/71/343352671.db2.gz ZEGXFGQSFILBAM-MRXNPFEDSA-N 1 0 255.361 2.004 10 30 CEEERO NC(=[NH2+])Nc1cc(Br)ccc1Br ZINC000052091913 343556163 /nfs/dbraw/zinc/55/61/63/343556163.db2.gz ATHDCLLBQQCICY-UHFFFAOYSA-N 1 0 292.962 2.117 10 30 CEEERO C/[N+](O)=C\c1ccc(OCc2nnsc2Cl)cc1 ZINC000225440861 344545832 /nfs/dbraw/zinc/54/58/32/344545832.db2.gz MWIDZGJGWIPGAI-GIDUJCDVSA-N 1 0 284.748 2.221 10 30 CEEERO CC[C@@H]1CN(c2cc(C#N)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252848536 344641858 /nfs/dbraw/zinc/64/18/58/344641858.db2.gz HWYBSOQAFVYIKP-VXGBXAGGSA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CCOCC1 ZINC000084292821 178845275 /nfs/dbraw/zinc/84/52/75/178845275.db2.gz BKHHPHKCGOKZNV-ZFWWWQNUSA-N 1 0 267.417 2.156 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000084293257 178845340 /nfs/dbraw/zinc/84/53/40/178845340.db2.gz VBHDHHYCXQEYCR-ILXRZTDVSA-N 1 0 267.417 2.158 10 30 CEEERO Cc1cc(N(C)CC2([NH+](C)C)CCC2)c(C#N)c(C)n1 ZINC000097932716 232189504 /nfs/dbraw/zinc/18/95/04/232189504.db2.gz SUGHVTGDLOHWFZ-UHFFFAOYSA-N 1 0 272.396 2.491 10 30 CEEERO N#Cc1cccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000594693388 345673188 /nfs/dbraw/zinc/67/31/88/345673188.db2.gz NOFGHJREEGUZSL-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO Cc1nc(NCC23CC(C2)C[NH2+]3)c(Cl)cc1C#N ZINC000596025990 345924561 /nfs/dbraw/zinc/92/45/61/345924561.db2.gz BKNZCXIJEJCSQA-UHFFFAOYSA-N 1 0 262.744 2.079 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1Cl ZINC000085361262 179032958 /nfs/dbraw/zinc/03/29/58/179032958.db2.gz REJRLPBHSPPOFT-PWSUYJOCSA-N 1 0 263.728 2.278 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])ccc1Cl ZINC000085361264 179032976 /nfs/dbraw/zinc/03/29/76/179032976.db2.gz REJRLPBHSPPOFT-JQWIXIFHSA-N 1 0 263.728 2.278 10 30 CEEERO C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085361726 179033824 /nfs/dbraw/zinc/03/38/24/179033824.db2.gz CUSWBZVSVMUONM-DFBGVHRSSA-N 1 0 271.364 2.253 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000085366628 179037079 /nfs/dbraw/zinc/03/70/79/179037079.db2.gz VZFDYYMQRAAYTL-CVEARBPZSA-N 1 0 288.391 2.337 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368118 179038200 /nfs/dbraw/zinc/03/82/00/179038200.db2.gz JQDIHGHMQWQAFH-CABCVRRESA-N 1 0 271.364 2.034 10 30 CEEERO N#Cc1c(Br)cccc1NCCOCCC[NH3+] ZINC000600955043 346716268 /nfs/dbraw/zinc/71/62/68/346716268.db2.gz IUFBCKXSZFMMOV-UHFFFAOYSA-N 1 0 298.184 2.098 10 30 CEEERO C[C@@H]1CC[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C[NH2+]1 ZINC000600955237 346716708 /nfs/dbraw/zinc/71/67/08/346716708.db2.gz KWSJKVKYIHOKDJ-KOLCDFICSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CC[C@H](Nc2c(C#N)cnc3ccccc32)C[NH2+]1 ZINC000600955417 346717018 /nfs/dbraw/zinc/71/70/18/346717018.db2.gz MFJDUVQOUQIGRY-AAEUAGOBSA-N 1 0 266.348 2.081 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCCCC[C@@H]([NH3+])C2)n1 ZINC000600959393 346718692 /nfs/dbraw/zinc/71/86/92/346718692.db2.gz VPQSRXWFXXIGHE-CYBMUJFWSA-N 1 0 258.369 2.278 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000336816748 365859399 /nfs/dbraw/zinc/85/93/99/365859399.db2.gz NFYWATMUSGNDMJ-SNVBAGLBSA-N 1 0 262.313 2.396 10 30 CEEERO C=CC[NH2+]C[C@@H](C)N1CCN(c2cccc(C)c2)CC1 ZINC000053488337 136708014 /nfs/dbraw/zinc/70/80/14/136708014.db2.gz CRUNJWXSHMLERW-MRXNPFEDSA-N 1 0 273.424 2.281 10 30 CEEERO CCN(c1c(C#N)nnc2ccccc21)[C@H]1CCC[NH2+]C1 ZINC000085920955 179200427 /nfs/dbraw/zinc/20/04/27/179200427.db2.gz ABPWUAODEQHBHK-LBPRGKRZSA-N 1 0 281.363 2.080 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCN(C3CC3)C2)C1 ZINC000086037753 179221250 /nfs/dbraw/zinc/22/12/50/179221250.db2.gz FDBJHQDWMHQOSP-HJOIGYKYSA-N 1 0 281.403 2.437 10 30 CEEERO CCCCCCC[C@@H](NCC[NH+](C)C)C(=O)OCC ZINC000103082724 185806983 /nfs/dbraw/zinc/80/69/83/185806983.db2.gz UBYAAQDJLZGFQC-CQSZACIVSA-N 1 0 272.433 2.430 10 30 CEEERO C[N@@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000086818448 179346364 /nfs/dbraw/zinc/34/63/64/179346364.db2.gz MQZQLNXRYJBQBP-GFCCVEGCSA-N 1 0 274.324 2.363 10 30 CEEERO CC(C)[C@H](C[NH3+])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000087532437 179442000 /nfs/dbraw/zinc/44/20/00/179442000.db2.gz GQWFECSMVSOCRM-JTQLQIEISA-N 1 0 277.393 2.278 10 30 CEEERO COc1ccc(C[NH2+][C@H](CN(C)C)C(C)C)cc1C#N ZINC000087823963 179494643 /nfs/dbraw/zinc/49/46/43/179494643.db2.gz GIFPGBVTKJAWDN-OAHLLOKOSA-N 1 0 275.396 2.243 10 30 CEEERO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C)cc1C#N ZINC000087824051 179494667 /nfs/dbraw/zinc/49/46/67/179494667.db2.gz WITXTONQKSTQAY-HNNXBMFYSA-N 1 0 273.380 2.141 10 30 CEEERO Cc1cc(C)c(C#N)c(NCC2(C)CC[NH2+]CC2)n1 ZINC000129455152 187432706 /nfs/dbraw/zinc/43/27/06/187432706.db2.gz JIHRNLVFWIWSFM-UHFFFAOYSA-N 1 0 258.369 2.372 10 30 CEEERO C[C@@H](CC[NH3+])SCC(=O)N(CC#N)c1ccccc1 ZINC000090354734 179974434 /nfs/dbraw/zinc/97/44/34/179974434.db2.gz DZAOSUXAGUKOTQ-LBPRGKRZSA-N 1 0 277.393 2.014 10 30 CEEERO COCC[NH2+]Cc1cccc(S[C@H](C)C#N)c1 ZINC000090873117 180050004 /nfs/dbraw/zinc/05/00/04/180050004.db2.gz OYUGLJDUEKTIMO-LLVKDONJSA-N 1 0 250.367 2.427 10 30 CEEERO [NH3+]CC#Cc1ccccc1OC[C@@H]1Cc2ccccc2O1 ZINC000090876381 180051648 /nfs/dbraw/zinc/05/16/48/180051648.db2.gz AVVREWXSPKHJFB-INIZCTEOSA-N 1 0 279.339 2.379 10 30 CEEERO C[C@H]([NH3+])Cc1cccn1Cc1cc(C#N)ccc1F ZINC000091005397 180084724 /nfs/dbraw/zinc/08/47/24/180084724.db2.gz NVWYYCZHGFCWDB-NSHDSACASA-N 1 0 257.312 2.437 10 30 CEEERO CCc1cccc(NC(=O)c2ccncc2C#CC[NH3+])c1 ZINC000091461111 180161237 /nfs/dbraw/zinc/16/12/37/180161237.db2.gz IVLXZEZDVAJPAC-UHFFFAOYSA-N 1 0 279.343 2.207 10 30 CEEERO C[C@@H]1CCCCC[C@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091463685 180162340 /nfs/dbraw/zinc/16/23/40/180162340.db2.gz VKLTUHGANNJYQX-CZUORRHYSA-N 1 0 285.391 2.090 10 30 CEEERO CC1(C)CCC(NC(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091463437 180162589 /nfs/dbraw/zinc/16/25/89/180162589.db2.gz VMQIEXORFFJMNH-UHFFFAOYSA-N 1 0 285.391 2.090 10 30 CEEERO CSC1(C#N)CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000091471821 180165618 /nfs/dbraw/zinc/16/56/18/180165618.db2.gz OBDRRSOEUJHSGJ-NWDGAFQWSA-N 1 0 254.399 2.011 10 30 CEEERO C[C@@H]1C[NH+](CC(=O)Nc2ccccc2C#N)C[C@H]1C ZINC000091528024 180179556 /nfs/dbraw/zinc/17/95/56/180179556.db2.gz FNDQNUJLSADDCS-VXGBXAGGSA-N 1 0 257.337 2.085 10 30 CEEERO CN(c1ccc([N+](=O)[O-])cc1C#N)C1CCC([NH3+])CC1 ZINC000091849504 180271075 /nfs/dbraw/zinc/27/10/75/180271075.db2.gz UCZFZMFCXPRFQH-UHFFFAOYSA-N 1 0 274.324 2.173 10 30 CEEERO CCN(C(=O)c1ccc(C#N)cc1)C1CCC([NH3+])CC1 ZINC000091850378 180272202 /nfs/dbraw/zinc/27/22/02/180272202.db2.gz CAHSVTQXQZANHF-UHFFFAOYSA-N 1 0 271.364 2.290 10 30 CEEERO C[C@@H](NC(=O)N1CCCCC1)c1ccc(C#CC[NH3+])cc1 ZINC000091969683 180294913 /nfs/dbraw/zinc/29/49/13/180294913.db2.gz KMFZUAIZHAAAFG-CQSZACIVSA-N 1 0 285.391 2.253 10 30 CEEERO N#C[C@@]1([C@]2(O)CC[N@@H+](C3CC3)C2)CCc2ccccc2C1 ZINC000091878822 180279129 /nfs/dbraw/zinc/27/91/29/180279129.db2.gz YONZAWPXLAJEAR-MSOLQXFVSA-N 1 0 282.387 2.284 10 30 CEEERO C[C@@](O)([C@H]1CCC[NH2+]C1)C1(C#N)Cc2ccccc2C1 ZINC000091879174 180279560 /nfs/dbraw/zinc/27/95/60/180279560.db2.gz ILORYMVUSLTMLD-JKSUJKDBSA-N 1 0 270.376 2.046 10 30 CEEERO CCN(C)C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000091992529 180300380 /nfs/dbraw/zinc/30/03/80/180300380.db2.gz CDQOFURENUNIHK-UHFFFAOYSA-N 1 0 265.744 2.134 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1Cl ZINC000092201897 180342680 /nfs/dbraw/zinc/34/26/80/180342680.db2.gz RZOZUUPHGADEKU-SCZZXKLOSA-N 1 0 261.712 2.054 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)ccc1Cl ZINC000092202816 180343380 /nfs/dbraw/zinc/34/33/80/180343380.db2.gz JULLTWKYMCCQQW-PSASIEDQSA-N 1 0 261.712 2.054 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1 ZINC000092202629 180343417 /nfs/dbraw/zinc/34/34/17/180343417.db2.gz RXPMRJHNCIEXBT-LDYMZIIASA-N 1 0 261.712 2.054 10 30 CEEERO CC(C)(C#N)N1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092301691 180359425 /nfs/dbraw/zinc/35/94/25/180359425.db2.gz SJYWONWTACEJNG-AWEZNQCLSA-N 1 0 285.391 2.082 10 30 CEEERO C=CC[NH2+]CC(=O)N(CC)Cc1cccc(Cl)c1 ZINC000092474686 180394048 /nfs/dbraw/zinc/39/40/48/180394048.db2.gz TXMGHDAXUBWCQB-UHFFFAOYSA-N 1 0 266.772 2.464 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1OC(F)F ZINC000092474110 180394089 /nfs/dbraw/zinc/39/40/89/180394089.db2.gz OJOIJYHNDURJKC-JTQLQIEISA-N 1 0 284.306 2.241 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OC)c(OC(F)F)c1 ZINC000092474253 180394164 /nfs/dbraw/zinc/39/41/64/180394164.db2.gz YNQYGOCORPLZHC-UHFFFAOYSA-N 1 0 286.278 2.011 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000092473886 180394180 /nfs/dbraw/zinc/39/41/80/180394180.db2.gz XDQWSUCOLLOONJ-UHFFFAOYSA-N 1 0 271.320 2.419 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737489 186319476 /nfs/dbraw/zinc/31/94/76/186319476.db2.gz MVGFTEZCDYEXEK-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)C ZINC000147747680 539807325 /nfs/dbraw/zinc/80/73/25/539807325.db2.gz NISCTLIJYHHWHM-HNNXBMFYSA-N 1 0 294.420 2.356 10 30 CEEERO CN[C@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169049 186364949 /nfs/dbraw/zinc/36/49/49/186364949.db2.gz HIGFSWHZMJQHLN-GJZGRUSLSA-N 1 0 267.417 2.017 10 30 CEEERO C#CCn1c(N)c([C@@H]2CCCOC2)[nH+]c1C(C)(C)C ZINC000111318626 186396465 /nfs/dbraw/zinc/39/64/65/186396465.db2.gz JRXMAAORMCDPCN-LLVKDONJSA-N 1 0 261.369 2.290 10 30 CEEERO C[NH2+]CCC1CCN(c2nc(C)ccc2C#N)CC1 ZINC000070190162 363052073 /nfs/dbraw/zinc/05/20/73/363052073.db2.gz YUMRWVKSTWKWGR-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1C#N ZINC000083550803 363780249 /nfs/dbraw/zinc/78/02/49/363780249.db2.gz LKXSQFXMMRCBRZ-GOEBONIOSA-N 1 0 285.391 2.106 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000183202159 189349966 /nfs/dbraw/zinc/34/99/66/189349966.db2.gz VZPZXKFCHKGUPU-XUJVJEKNSA-N 1 0 287.363 2.042 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C#N)CCCC1 ZINC000092630791 364090966 /nfs/dbraw/zinc/09/09/66/364090966.db2.gz CYDSADYJZXFTKE-CYBMUJFWSA-N 1 0 263.385 2.013 10 30 CEEERO Cn1nccc1C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000092810367 364110579 /nfs/dbraw/zinc/11/05/79/364110579.db2.gz ZDQHAJYMCVZUTL-UHFFFAOYSA-N 1 0 270.336 2.264 10 30 CEEERO C=C(Br)CN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000113518238 364903486 /nfs/dbraw/zinc/90/34/86/364903486.db2.gz JAPLLDJMCDPGMF-GHMZBOCLSA-N 1 0 259.191 2.064 10 30 CEEERO CC[C@@H]1CN(Cc2ccc(C#N)s2)CC[N@@H+]1CCOC ZINC000120959390 365502260 /nfs/dbraw/zinc/50/22/60/365502260.db2.gz ZSISEHHXCRKKFD-CYBMUJFWSA-N 1 0 293.436 2.162 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)cn1 ZINC000172054769 367665641 /nfs/dbraw/zinc/66/56/41/367665641.db2.gz OTEMZZVHMOTQQZ-OAHLLOKOSA-N 1 0 266.348 2.281 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000246013475 370899876 /nfs/dbraw/zinc/89/98/76/370899876.db2.gz LRSIFOGFCIDANW-XQLPTFJDSA-N 1 0 281.396 2.120 10 30 CEEERO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246211498 370927879 /nfs/dbraw/zinc/92/78/79/370927879.db2.gz ZINBESAVYZSFQF-QWHCGFSZSA-N 1 0 268.426 2.013 10 30 CEEERO C[NH+]1CCN(c2ccc(-n3cccc3)cc2C#N)CC1 ZINC000226280034 370333498 /nfs/dbraw/zinc/33/34/98/370333498.db2.gz ITYAKSPMWJQIQL-UHFFFAOYSA-N 1 0 266.348 2.101 10 30 CEEERO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1C#N ZINC000230664301 370462610 /nfs/dbraw/zinc/46/26/10/370462610.db2.gz NCWSEDLPDHDTST-DZGCQCFKSA-N 1 0 274.364 2.208 10 30 CEEERO COc1cc(C[N@@H+]2CCC[C@H]2CCCO)ccc1C#N ZINC000234980459 370552543 /nfs/dbraw/zinc/55/25/43/370552543.db2.gz VWDFTYLPKCNXBM-HNNXBMFYSA-N 1 0 274.364 2.304 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000246731197 371001189 /nfs/dbraw/zinc/00/11/89/371001189.db2.gz AOFPYTOXCKJFRQ-IUODEOHRSA-N 1 0 271.364 2.017 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cc1ccc(C#N)cc1 ZINC000246895085 371026543 /nfs/dbraw/zinc/02/65/43/371026543.db2.gz HBRFFPOFIAGXMA-IRXDYDNUSA-N 1 0 297.402 2.186 10 30 CEEERO Cc1nc(N2C[C@@H](C[NH3+])C[C@@H]2C)c(Cl)cc1C#N ZINC000261578040 371658798 /nfs/dbraw/zinc/65/87/98/371658798.db2.gz OSNQBTZZLIWWSS-WCBMZHEXSA-N 1 0 264.760 2.089 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000382464726 375186310 /nfs/dbraw/zinc/18/63/10/375186310.db2.gz ZPFSUHVLFBAQGK-WDEREUQCSA-N 1 0 260.297 2.148 10 30 CEEERO N#CCc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1 ZINC000398982348 375354983 /nfs/dbraw/zinc/35/49/83/375354983.db2.gz GLHQOGBFGDODTD-YESZJQIVSA-N 1 0 270.376 2.345 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106432625 285042678 /nfs/dbraw/zinc/04/26/78/285042678.db2.gz FWXHNWWNUSAALQ-ZBFHGGJFSA-N 1 0 287.407 2.167 10 30 CEEERO C=CCOC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2CC2CC2)O1 ZINC000253374581 256689487 /nfs/dbraw/zinc/68/94/87/256689487.db2.gz MVQHZFSIZNDRLL-KKUMJFAQSA-N 1 0 251.370 2.221 10 30 CEEERO [NH3+]CC#Cc1cc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cs1 ZINC000093976256 184747109 /nfs/dbraw/zinc/74/71/09/184747109.db2.gz HKQIHGXPYULUOO-HZPDHXFCSA-N 1 0 296.395 2.344 10 30 CEEERO CCN(CC1CC[NH2+]CC1)c1nc2c(cc1C#N)CCC2 ZINC000094043560 184751655 /nfs/dbraw/zinc/75/16/55/184751655.db2.gz HQAVLVUTTIWBSL-UHFFFAOYSA-N 1 0 284.407 2.268 10 30 CEEERO CC[C@@H]([NH3+])Cc1ccc(OCc2ccnc(C#N)c2)cn1 ZINC000094216448 184764215 /nfs/dbraw/zinc/76/42/15/184764215.db2.gz HCPVTHLEXGKXDO-CYBMUJFWSA-N 1 0 282.347 2.207 10 30 CEEERO CC(C)C[C@@H](C[NH3+])C(=O)N(CCC#N)Cc1ccco1 ZINC000094698931 184842660 /nfs/dbraw/zinc/84/26/60/184842660.db2.gz KSLJQJOSIBBENE-ZDUSSCGKSA-N 1 0 277.368 2.143 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCCN1c1c(C#N)nnc2ccccc21 ZINC000085920880 135038508 /nfs/dbraw/zinc/03/85/08/135038508.db2.gz JODTUGLZKTUEPB-XHDPSFHLSA-N 1 0 281.363 2.208 10 30 CEEERO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)c(C#N)c(C)n1 ZINC000227593531 394473266 /nfs/dbraw/zinc/47/32/66/394473266.db2.gz YESXNBOHHVXMFR-LLVKDONJSA-N 1 0 258.369 2.465 10 30 CEEERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000122333530 394811125 /nfs/dbraw/zinc/81/11/25/394811125.db2.gz QWLBQELYJVTUSH-KBPBESRZSA-N 1 0 273.380 2.406 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000019440656 170802296 /nfs/dbraw/zinc/80/22/96/170802296.db2.gz KHTCZWVNGUOMJQ-SNPRPXQTSA-N 1 0 269.348 2.417 10 30 CEEERO C#CC[NH2+]Cc1cc(Br)c(OC)c(OC)c1 ZINC000035161387 172020498 /nfs/dbraw/zinc/02/04/98/172020498.db2.gz IYKPGQDIKOPZPV-UHFFFAOYSA-N 1 0 284.153 2.189 10 30 CEEERO N#Cc1ccc(NC2CC[NH2+]CC2)c(Br)c1 ZINC000038041195 174041720 /nfs/dbraw/zinc/04/17/20/174041720.db2.gz AVDUEEBJJBVSLF-UHFFFAOYSA-N 1 0 280.169 2.485 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000040598740 174349855 /nfs/dbraw/zinc/34/98/55/174349855.db2.gz QJRRDUGRKZUZPG-ZDUSSCGKSA-N 1 0 261.344 2.129 10 30 CEEERO C[C@H]([NH3+])[C@H](c1cccc(Cl)c1)N(CC#N)CC#N ZINC000042975123 174938658 /nfs/dbraw/zinc/93/86/58/174938658.db2.gz DLRLRFACGAXXTC-GXFFZTMASA-N 1 0 262.744 2.077 10 30 CEEERO CCN(Cc1sccc1C#CC[NH3+])C[C@@H](C)C#N ZINC000043684144 175092777 /nfs/dbraw/zinc/09/27/77/175092777.db2.gz XABJZGSHBQYGMA-LBPRGKRZSA-N 1 0 261.394 2.040 10 30 CEEERO CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C#N)C(C)C ZINC000044810058 175257552 /nfs/dbraw/zinc/25/75/52/175257552.db2.gz XMPGIZDEBYIEGO-UONOGXRCSA-N 1 0 267.417 2.409 10 30 CEEERO C[C@@](C#N)(CCCC[N@@H+]1CCOCC1(C)C)NC1CC1 ZINC000045317590 175357724 /nfs/dbraw/zinc/35/77/24/175357724.db2.gz ITLLUJMIPLOKJQ-INIZCTEOSA-N 1 0 279.428 2.302 10 30 CEEERO CCO[C@H]1CCC[N@H+](CCC[C@@](C)(C#N)NC2CC2)C1 ZINC000045320618 175359244 /nfs/dbraw/zinc/35/92/44/175359244.db2.gz OPGLLCTWRNWQTC-HOTGVXAUSA-N 1 0 279.428 2.302 10 30 CEEERO C[C@@H]1CN(Cc2ccc(C#CC[NH3+])s2)CC(C)(C)O1 ZINC000045707035 175382823 /nfs/dbraw/zinc/38/28/23/175382823.db2.gz JJMQLEDUBGTAOH-GFCCVEGCSA-N 1 0 278.421 2.058 10 30 CEEERO C#CCOc1ccc(Cl)cc1C[NH2+]CCCOC ZINC000045945977 175387760 /nfs/dbraw/zinc/38/77/60/175387760.db2.gz FGABCTXRURSZKL-UHFFFAOYSA-N 1 0 267.756 2.478 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000659328868 415518331 /nfs/dbraw/zinc/51/83/31/415518331.db2.gz JLRRKIXBDQSQGN-RQJABVFESA-N 1 0 250.386 2.365 10 30 CEEERO CCC[NH2+][C@@H]1CCCN(c2cc(C#N)ccc2C)C1=O ZINC000071042232 176028513 /nfs/dbraw/zinc/02/85/13/176028513.db2.gz AIRCIVGIRZVJBW-CQSZACIVSA-N 1 0 271.364 2.362 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C[C@H]1CC[N@H+](C)C1 ZINC000071189108 176064886 /nfs/dbraw/zinc/06/48/86/176064886.db2.gz IVOJHFAWUUZKNH-ZDUSSCGKSA-N 1 0 261.344 2.081 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000071322930 176123603 /nfs/dbraw/zinc/12/36/03/176123603.db2.gz CUKYBFGWSDLOMI-ZOWXZIJZSA-N 1 0 288.416 2.111 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NCC[NH2+]C1CC1 ZINC000078836064 177396229 /nfs/dbraw/zinc/39/62/29/177396229.db2.gz ROKAZTNUAFBAGL-UHFFFAOYSA-N 1 0 270.258 2.136 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079517521 177513091 /nfs/dbraw/zinc/51/30/91/177513091.db2.gz MUNDGNFRCDGPQL-INIZCTEOSA-N 1 0 289.354 2.188 10 30 CEEERO N#CCc1ccc(NC(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000334834169 225327014 /nfs/dbraw/zinc/32/70/14/225327014.db2.gz YOYWPHPBXBADRS-CQSZACIVSA-N 1 0 272.352 2.016 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(F)c1 ZINC000398988015 270364779 /nfs/dbraw/zinc/36/47/79/270364779.db2.gz GKQTVGYBBVTFPI-AEGPPILISA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@@H](C)C[NH2+]1 ZINC000086471053 274361104 /nfs/dbraw/zinc/36/11/04/274361104.db2.gz MYVUAOFYEAIUDG-NEPJUHHUSA-N 1 0 266.348 2.293 10 30 CEEERO C[C@@H]1CN(c2ccc(Br)cc2C#N)CC[NH2+]1 ZINC000161813425 274362038 /nfs/dbraw/zinc/36/20/38/274362038.db2.gz IIQJFRGMJCOTQH-SECBINFHSA-N 1 0 280.169 2.119 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261574806 274362448 /nfs/dbraw/zinc/36/24/48/274362448.db2.gz XZWGKZCSEYGLLZ-PRHODGIISA-N 1 0 269.270 2.360 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@@H]1[NH3+] ZINC000094342367 274591842 /nfs/dbraw/zinc/59/18/42/274591842.db2.gz DJJJRVXNUZNAJG-FZMZJTMJSA-N 1 0 266.348 2.280 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000053204692 277295228 /nfs/dbraw/zinc/29/52/28/277295228.db2.gz LQWACWXWUYQXHB-CQSZACIVSA-N 1 0 270.380 2.020 10 30 CEEERO C[C@H]1[C@H]([NH3+])CCN1c1cc(C#N)c2ccccc2n1 ZINC000261590819 280114449 /nfs/dbraw/zinc/11/44/49/280114449.db2.gz LODBNTHXXNGPRP-GXFFZTMASA-N 1 0 252.321 2.032 10 30 CEEERO C[C@H]1[C@H]([NH3+])CCN1c1cccc(Br)c1C#N ZINC000261569402 280114649 /nfs/dbraw/zinc/11/46/49/280114649.db2.gz GHIWYEQDWPIFQR-GZMMTYOYSA-N 1 0 280.169 2.247 10 30 CEEERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000300591896 280579083 /nfs/dbraw/zinc/57/90/83/280579083.db2.gz WXJFHXAMKNALMM-YUELXQCFSA-N 1 0 274.364 2.076 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382457601 321840050 /nfs/dbraw/zinc/84/00/50/321840050.db2.gz KWTGPVMOEZITAR-QWHCGFSZSA-N 1 0 266.348 2.210 10 30 CEEERO N#Cc1cc2c(nc1N[C@H](CC[NH3+])C(F)F)CCCC2 ZINC000383309739 321846803 /nfs/dbraw/zinc/84/68/03/321846803.db2.gz PMJHPOFTXIKIPH-GFCCVEGCSA-N 1 0 280.322 2.226 10 30 CEEERO C[NH+]=C(NCc1ccoc1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000179132357 329205868 /nfs/dbraw/zinc/20/58/68/329205868.db2.gz DJNXDPMTZCJLHS-KBPBESRZSA-N 1 0 261.369 2.477 10 30 CEEERO [NH2+]=C(NC1CC1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262399369 330008033 /nfs/dbraw/zinc/00/80/33/330008033.db2.gz UIQDAECSAXNFPE-KWQFWETISA-N 1 0 267.735 2.402 10 30 CEEERO C[C@@H]1C[NH+]=C(N[C@@H]2C[C@@H]2c2c(F)cccc2Cl)N1 ZINC000262675900 330026228 /nfs/dbraw/zinc/02/62/28/330026228.db2.gz TYOJPUFKDDLRST-VHSKPIJISA-N 1 0 267.735 2.272 10 30 CEEERO [NH2+]=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)Nc1ccccn1 ZINC000263141156 330045395 /nfs/dbraw/zinc/04/53/95/330045395.db2.gz OHPWUEZGPXONDR-FRRDWIJNSA-N 1 0 256.353 2.411 10 30 CEEERO COc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1OC ZINC000263147389 330045924 /nfs/dbraw/zinc/04/59/24/330045924.db2.gz LBQFDNJTSYFJHK-IUCAKERBSA-N 1 0 285.294 2.084 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H](C)C(C)C ZINC000263236060 330050266 /nfs/dbraw/zinc/05/02/66/330050266.db2.gz JPIZRMIGKZHWHK-STQMWFEESA-N 1 0 255.406 2.155 10 30 CEEERO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248901434 334321332 /nfs/dbraw/zinc/32/13/32/334321332.db2.gz HIVXONJWMPSKFY-VNHYZAJKSA-N 1 0 252.402 2.434 10 30 CEEERO CC(C)N(CCC#N)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054443210 519641382 /nfs/dbraw/zinc/64/13/82/519641382.db2.gz HEVGTCCVWHUWMC-UHFFFAOYSA-N 1 0 288.395 2.177 10 30 CEEERO CC(C)[NH2+]C[C@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000068757866 519725320 /nfs/dbraw/zinc/72/53/20/519725320.db2.gz XXXMKTFJMRDQIZ-OAHLLOKOSA-N 1 0 272.396 2.163 10 30 CEEERO CC(C)[NH2+]Cc1nccn1Cc1cccc(C#N)c1 ZINC000051005573 519728916 /nfs/dbraw/zinc/72/89/16/519728916.db2.gz PNDLYVIONNTMOS-UHFFFAOYSA-N 1 0 254.337 2.301 10 30 CEEERO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C#N)c1ccccc1 ZINC000061615022 519775358 /nfs/dbraw/zinc/77/53/58/519775358.db2.gz MZESPNTUVIMCQO-HOTGVXAUSA-N 1 0 287.407 2.386 10 30 CEEERO CC[NH2+]CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000061290447 519917906 /nfs/dbraw/zinc/91/79/06/519917906.db2.gz LCZDMAOHFONLRE-UHFFFAOYSA-N 1 0 259.353 2.426 10 30 CEEERO CC[NH2+]C[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000061228579 519933189 /nfs/dbraw/zinc/93/31/89/519933189.db2.gz RXPYNJNMYXFYQX-CYBMUJFWSA-N 1 0 259.353 2.179 10 30 CEEERO CCCN[C@@H](C#N)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000062437290 519982801 /nfs/dbraw/zinc/98/28/01/519982801.db2.gz RBETXALIEZPJNT-DZGCQCFKSA-N 1 0 267.417 2.015 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000068615080 520032340 /nfs/dbraw/zinc/03/23/40/520032340.db2.gz BJQKNWQXKGKTLR-IAGOWNOFSA-N 1 0 294.487 2.320 10 30 CEEERO CC1(C(=O)Nc2cccc(F)c2C#N)CC[NH2+]CC1 ZINC000062839907 520233179 /nfs/dbraw/zinc/23/31/79/520233179.db2.gz WILDPWXIHQZDRD-UHFFFAOYSA-N 1 0 261.300 2.026 10 30 CEEERO CCCOc1ccc(C[NH2+]CCOC)c(OCC#N)c1 ZINC000062727438 520367349 /nfs/dbraw/zinc/36/73/49/520367349.db2.gz NQBRTFNLSDLVJK-UHFFFAOYSA-N 1 0 278.352 2.114 10 30 CEEERO CCC(CC)(CO)[NH2+]Cc1cccc(OCC#N)c1 ZINC000053066234 521458999 /nfs/dbraw/zinc/45/89/99/521458999.db2.gz LBXPDIYBNVOQSR-UHFFFAOYSA-N 1 0 262.353 2.230 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1c1nc(C)cc(C)c1C#N ZINC000063169516 522042760 /nfs/dbraw/zinc/04/27/60/522042760.db2.gz BJQOQJZVJREEEG-ZDUSSCGKSA-N 1 0 258.369 2.148 10 30 CEEERO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(C)C ZINC000049129708 522630383 /nfs/dbraw/zinc/63/03/83/522630383.db2.gz SHXXGGDFGLBPFD-GJZGRUSLSA-N 1 0 276.380 2.322 10 30 CEEERO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C(C)C ZINC000049129717 522849880 /nfs/dbraw/zinc/84/98/80/522849880.db2.gz SHXXGGDFGLBPFD-HUUCEWRRSA-N 1 0 276.380 2.322 10 30 CEEERO CC[C@H](C)[NH+]1CCN([C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068615027 523958010 /nfs/dbraw/zinc/95/80/10/523958010.db2.gz HSVRYGHMRQQGPA-ULQDDVLXSA-N 1 0 294.487 2.461 10 30 CEEERO C[C@@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)CC1CCOCC1 ZINC000068616536 524860409 /nfs/dbraw/zinc/86/04/09/524860409.db2.gz YCUNBVGRWZYXFG-XJKSGUPXSA-N 1 0 279.428 2.158 10 30 CEEERO Cc1nn(Cc2cccnc2C#N)c(C)c1C[NH2+]C1CC1 ZINC000061659607 526297184 /nfs/dbraw/zinc/29/71/84/526297184.db2.gz MSLQREYSRZTLBB-UHFFFAOYSA-N 1 0 281.363 2.067 10 30 CEEERO N#Cc1cc(CN2CCCC[C@@H]2C[NH2+]C2CC2)ccn1 ZINC000068760868 526548853 /nfs/dbraw/zinc/54/88/53/526548853.db2.gz UOEPMGTXZWGJTK-MRXNPFEDSA-N 1 0 270.380 2.060 10 30 CEEERO N#Cc1cc2c(nc1OCC1CC[NH2+]CC1)CCCC2 ZINC000051870005 526579804 /nfs/dbraw/zinc/57/98/04/526579804.db2.gz RATJCWGLMMULDJ-UHFFFAOYSA-N 1 0 271.364 2.210 10 30 CEEERO N#Cc1sc(N2CCC[C@H](CC[NH3+])C2)nc1Cl ZINC000236264072 625619182 /nfs/dbraw/zinc/61/91/82/625619182.db2.gz PINPICIHKNZNJH-MRVPVSSYSA-N 1 0 270.789 2.233 10 30 CEEERO N#Cc1sc(NC[C@H]2CCC[NH2+]C2)nc1Cl ZINC000236042139 625840111 /nfs/dbraw/zinc/84/01/11/625840111.db2.gz APMBCDBAHAVERN-ZETCQYMHSA-N 1 0 256.762 2.080 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC(OC(C)(C)C)CC1 ZINC000261700667 629122521 /nfs/dbraw/zinc/12/25/21/629122521.db2.gz GCYPTFCQPCVJKA-WCQYABFASA-N 1 0 267.417 2.250 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261751950 629183063 /nfs/dbraw/zinc/18/30/63/629183063.db2.gz TYZKZQFHDAYKHH-IUODEOHRSA-N 1 0 278.359 2.295 10 30 CEEERO C[C@@H]1C[C@@H]1NC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262006245 629427976 /nfs/dbraw/zinc/42/79/76/629427976.db2.gz RNPHSGLJHAXUNM-RISCZKNCSA-N 1 0 292.814 2.185 10 30 CEEERO C=CCc1cc(OC)cc(CN2CC[C@@H]([NH+](C)C)C2)c1O ZINC000164282061 639363110 /nfs/dbraw/zinc/36/31/10/639363110.db2.gz LMKRKLHKMLVRNQ-OAHLLOKOSA-N 1 0 290.407 2.265 10 30 CEEERO CC(C)(C)[C@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC000324457040 640647009 /nfs/dbraw/zinc/64/70/09/640647009.db2.gz XCXXAAOPLLCSOB-CYBMUJFWSA-N 1 0 250.317 2.194 10 30 CEEERO C=C(Br)CN(C)C[C@@H]1CCC[N@H+]1CC ZINC000175332284 641324159 /nfs/dbraw/zinc/32/41/59/641324159.db2.gz CFHDFOGYKRHCIC-NSHDSACASA-N 1 0 261.207 2.311 10 30 CEEERO CCC[C@H](C(=O)NCc1cc(C#N)ccc1F)[NH+](C)C ZINC000121344742 365556918 /nfs/dbraw/zinc/55/69/18/365556918.db2.gz JDGYXUVQAPQMIT-CQSZACIVSA-N 1 0 277.343 2.044 10 30 CEEERO N#Cc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000127861137 187337454 /nfs/dbraw/zinc/33/74/54/187337454.db2.gz GZRUTIDJGAVPAC-ZWNOBZJWSA-N 1 0 274.324 2.396 10 30 CEEERO COC(=O)C[C@H]([NH3+])c1cncc(C#Cc2ccccc2)c1 ZINC000039044993 343435322 /nfs/dbraw/zinc/43/53/22/343435322.db2.gz DWFGJKRXCDPVTP-INIZCTEOSA-N 1 0 280.327 2.044 10 30 CEEERO N#Cc1cc(N2CCC(CC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000127857757 365764975 /nfs/dbraw/zinc/76/49/75/365764975.db2.gz MZYRSMBMJGRVJZ-UHFFFAOYSA-N 1 0 274.324 2.032 10 30 CEEERO CC[C@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122918809 344308053 /nfs/dbraw/zinc/30/80/53/344308053.db2.gz AKVNTQXTDAYQIZ-GWCFXTLKSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000156547953 344442489 /nfs/dbraw/zinc/44/24/89/344442489.db2.gz PVEAUWZQUJHITD-RNCFNFMXSA-N 1 0 299.296 2.129 10 30 CEEERO C#CC[C@H]([NH3+])c1cc(OC)ccc1Br ZINC000158335423 344450851 /nfs/dbraw/zinc/45/08/51/344450851.db2.gz PVYBPIQUJJUPGM-NSHDSACASA-N 1 0 254.127 2.481 10 30 CEEERO CCN(CC[NH3+])c1cccc(Br)c1C#N ZINC000165945508 344475267 /nfs/dbraw/zinc/47/52/67/344475267.db2.gz MLAWZFAEVHTSLD-UHFFFAOYSA-N 1 0 268.158 2.106 10 30 CEEERO N#Cc1cc(N2CCc3ccccc3[C@@H]2C[NH3+])ccn1 ZINC000227725380 344556453 /nfs/dbraw/zinc/55/64/53/344556453.db2.gz ZKWRVEOZHPJRJL-INIZCTEOSA-N 1 0 264.332 2.016 10 30 CEEERO N#Cc1cc(NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593232932 345456672 /nfs/dbraw/zinc/45/66/72/345456672.db2.gz HPNQLHRWAARHBQ-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO CCc1nnc(NCC[C@@H]([NH3+])C(C)C)c(C#N)c1CC ZINC000596030303 345925970 /nfs/dbraw/zinc/92/59/70/345925970.db2.gz SKSDIDJMTWQGQV-CYBMUJFWSA-N 1 0 275.400 2.258 10 30 CEEERO C[NH2+]C[C@H](C)Nc1ccc(C#N)cc1Br ZINC000596031206 345926684 /nfs/dbraw/zinc/92/66/84/345926684.db2.gz BYJNFRVRSJLZRR-QMMMGPOBSA-N 1 0 268.158 2.341 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085364280 179035258 /nfs/dbraw/zinc/03/52/58/179035258.db2.gz IWPOPBJKZSNFPQ-CMPLNLGQSA-N 1 0 261.300 2.072 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2nc3c(cc2C#N)CCCC3)C[NH2+]1 ZINC000600955091 346716275 /nfs/dbraw/zinc/71/62/75/346716275.db2.gz JWFRDTSUUCINJM-BXUZGUMPSA-N 1 0 270.380 2.384 10 30 CEEERO C[C@H]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C[NH2+]1 ZINC000600956292 346717208 /nfs/dbraw/zinc/71/72/08/346717208.db2.gz YYZCCPQDOCANTK-WPRPVWTQSA-N 1 0 251.280 2.389 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1C[NH+]2CCC1CC2 ZINC000085919880 179199673 /nfs/dbraw/zinc/19/96/73/179199673.db2.gz QGIZVPBTTDKIHE-HNNXBMFYSA-N 1 0 279.347 2.008 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000086081151 179227689 /nfs/dbraw/zinc/22/76/89/179227689.db2.gz ZKYJMMCHODFACU-OZVIIMIRSA-N 1 0 288.366 2.300 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2ccc(C#CC[NH3+])c(F)c2)CC[C@@H]1C ZINC000086081133 179227280 /nfs/dbraw/zinc/22/72/80/179227280.db2.gz CZMXGLUSRUEFRX-HWWQOWPSSA-N 1 0 288.366 2.300 10 30 CEEERO CN1CCC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037426 179221788 /nfs/dbraw/zinc/22/17/88/179221788.db2.gz QQYPPRVFXYYEHW-GTPINHCMSA-N 1 0 269.392 2.294 10 30 CEEERO C#CCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000086171770 179242736 /nfs/dbraw/zinc/24/27/36/179242736.db2.gz PJBLTEVLCXCDSZ-DLBZAZTESA-N 1 0 256.393 2.161 10 30 CEEERO C#CC(C)(C)N1C[C@@H](Cc2ccccc2)[NH2+]C[C@H]1C ZINC000086176192 179247035 /nfs/dbraw/zinc/24/70/35/179247035.db2.gz VVFJQGAWBFPKJA-GDBMZVCRSA-N 1 0 256.393 2.303 10 30 CEEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1S(C)(=O)=O)c1ccc(C#N)cc1 ZINC000086673107 179318022 /nfs/dbraw/zinc/31/80/22/179318022.db2.gz RZEGBSLOVSGMJU-CQDKDKBSSA-N 1 0 292.404 2.175 10 30 CEEERO COc1ccc(N[C@]2(C#N)CCC[N@H+](C)CC2)cc1 ZINC000086819693 179348636 /nfs/dbraw/zinc/34/86/36/179348636.db2.gz VZYJIWXLDRFFBL-OAHLLOKOSA-N 1 0 259.353 2.485 10 30 CEEERO COc1cccc(N[C@]2(C#N)CCC[N@H+](C)CC2)c1 ZINC000086819703 179348817 /nfs/dbraw/zinc/34/88/17/179348817.db2.gz VHJCSIAXKXWUKH-OAHLLOKOSA-N 1 0 259.353 2.485 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cccc2c1CCC[C@H]2[NH2+]C ZINC000088151802 179557990 /nfs/dbraw/zinc/55/79/90/179557990.db2.gz KWYSIQBNDVCOAN-IUODEOHRSA-N 1 0 288.391 2.353 10 30 CEEERO C[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089150575 179725953 /nfs/dbraw/zinc/72/59/53/179725953.db2.gz TWGMDKBSIRVUDB-JHJVBQTASA-N 1 0 281.400 2.429 10 30 CEEERO C[C@@H]1[C@H]2C[NH2+]C[C@@H]2CN1c1cc(Cl)ccc1C#N ZINC000090328489 179960319 /nfs/dbraw/zinc/96/03/19/179960319.db2.gz VWGKHVHVYMYLAO-IRUJWGPZSA-N 1 0 261.756 2.256 10 30 CEEERO C[C@H]([NH3+])CCSCCOc1ccc(C#N)cc1 ZINC000090346610 179970488 /nfs/dbraw/zinc/97/04/88/179970488.db2.gz PYCJVEPEJKPOQJ-NSHDSACASA-N 1 0 250.367 2.408 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091360127 180141194 /nfs/dbraw/zinc/14/11/94/180141194.db2.gz IYAWVYWRHODWCX-QPSCCSFWSA-N 1 0 277.412 2.305 10 30 CEEERO CC[C@@H]1CCCC[C@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462169 180162150 /nfs/dbraw/zinc/16/21/50/180162150.db2.gz AMFRPGZUGKMQIK-CZUORRHYSA-N 1 0 285.391 2.090 10 30 CEEERO CC[C@H]1CCCN(C(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091463434 180162467 /nfs/dbraw/zinc/16/24/67/180162467.db2.gz XFRMXAHHTFSUIW-AWEZNQCLSA-N 1 0 285.391 2.044 10 30 CEEERO C[NH2+]CC1CC(Oc2nc3c(cc2C#N)CCCC3)C1 ZINC000091476616 180165994 /nfs/dbraw/zinc/16/59/94/180165994.db2.gz ZCMWTHVBOCPQPO-UHFFFAOYSA-N 1 0 271.364 2.209 10 30 CEEERO C=CC[C@@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000091613188 180208231 /nfs/dbraw/zinc/20/82/31/180208231.db2.gz ZVWJKQCSJUBCIG-CABCVRRESA-N 1 0 254.418 2.432 10 30 CEEERO Cc1sc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c(C#N)c1C ZINC000091542482 180184435 /nfs/dbraw/zinc/18/44/35/180184435.db2.gz ODIZOTXKUNPTDJ-VHSXEESVSA-N 1 0 263.366 2.303 10 30 CEEERO N#CCc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000104985936 186037815 /nfs/dbraw/zinc/03/78/15/186037815.db2.gz SUXTYAHKBIUQLC-INIZCTEOSA-N 1 0 298.390 2.455 10 30 CEEERO C[N@H+](CCCCC#N)C1CCC2(CC1)OCCO2 ZINC000091853587 180273357 /nfs/dbraw/zinc/27/33/57/180273357.db2.gz FHGVFKOARRJCKH-UHFFFAOYSA-N 1 0 252.358 2.298 10 30 CEEERO CC(C)[C@H]([NH3+])c1ccn(Cc2cccnc2C#N)c1 ZINC000091825518 180264883 /nfs/dbraw/zinc/26/48/83/180264883.db2.gz CFRVWWDIVOUEMP-HNNXBMFYSA-N 1 0 254.337 2.459 10 30 CEEERO C[NH2+]C1CCC(NC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000091872340 180277784 /nfs/dbraw/zinc/27/77/84/180277784.db2.gz GIKPNZRVQVADKO-UHFFFAOYSA-N 1 0 272.352 2.210 10 30 CEEERO CC[NH+]1CCC(O)([C@@]2(C#N)CCc3ccccc32)CC1 ZINC000091878315 180278700 /nfs/dbraw/zinc/27/87/00/180278700.db2.gz XSLJAZURCRINEC-MRXNPFEDSA-N 1 0 270.376 2.241 10 30 CEEERO N#C[C@@]1([C@@]2(O)CC[N@@H+](C3CC3)C2)CCc2ccccc2C1 ZINC000091878824 180279124 /nfs/dbraw/zinc/27/91/24/180279124.db2.gz YONZAWPXLAJEAR-QZTJIDSGSA-N 1 0 282.387 2.284 10 30 CEEERO C=C(C)C[C@@H]([NH2+]CC)[C@@](C)(CC)N1CCOCC1 ZINC000092130170 180330145 /nfs/dbraw/zinc/33/01/45/180330145.db2.gz VGEVDOPAZLEKSU-HUUCEWRRSA-N 1 0 254.418 2.432 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201895 180342792 /nfs/dbraw/zinc/34/27/92/180342792.db2.gz RZOZUUPHGADEKU-PSASIEDQSA-N 1 0 261.712 2.054 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092204413 180343763 /nfs/dbraw/zinc/34/37/63/180343763.db2.gz OQIQAPATIBURGR-LSDHHAIUSA-N 1 0 286.375 2.113 10 30 CEEERO CCCNc1cc[nH+]c(CN(CCC#N)CCOC)c1 ZINC000092419188 180382277 /nfs/dbraw/zinc/38/22/77/180382277.db2.gz DCXCDSXPCUSHDJ-UHFFFAOYSA-N 1 0 276.384 2.266 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCCCC[C@@H]1c1cccn1C ZINC000092474540 180393613 /nfs/dbraw/zinc/39/36/13/180393613.db2.gz FFFDTCNJXIGNBC-OAHLLOKOSA-N 1 0 275.396 2.244 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(OC)ccc1OC(F)F ZINC000092473990 180394075 /nfs/dbraw/zinc/39/40/75/180394075.db2.gz KOPIUAXGKVIBSY-UHFFFAOYSA-N 1 0 286.278 2.011 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OC)c(Br)c1 ZINC000092476253 180394120 /nfs/dbraw/zinc/39/41/20/180394120.db2.gz BBIVJFZKGDXZLH-UHFFFAOYSA-N 1 0 299.168 2.172 10 30 CEEERO CC(C)(C#N)N1CC[NH+](CCCOc2ccccc2)CC1 ZINC000109461233 186254398 /nfs/dbraw/zinc/25/43/98/186254398.db2.gz IGYKYGYNXKPQOC-UHFFFAOYSA-N 1 0 287.407 2.375 10 30 CEEERO CCCN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110941064 186335019 /nfs/dbraw/zinc/33/50/19/186335019.db2.gz IQRUMDPQUWGVPZ-OAHLLOKOSA-N 1 0 271.364 2.162 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000110944147 186335404 /nfs/dbraw/zinc/33/54/04/186335404.db2.gz PSUCUIQVFZKGIL-CQSZACIVSA-N 1 0 261.344 2.271 10 30 CEEERO CC[NH2+][C@H](C)c1ccc(C)cc1OCC(=O)NCCC#N ZINC000110961214 186338112 /nfs/dbraw/zinc/33/81/12/186338112.db2.gz MYVCKNLDRFSPDL-CYBMUJFWSA-N 1 0 289.379 2.074 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737512 186318373 /nfs/dbraw/zinc/31/83/73/186318373.db2.gz WDSOPWZJMGJOTO-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737521 186318431 /nfs/dbraw/zinc/31/84/31/186318431.db2.gz AZMUGWTXGZTTHQ-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO N#CCc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000111244415 186376176 /nfs/dbraw/zinc/37/61/76/186376176.db2.gz MLJGKIHSYZYIOD-ZDUSSCGKSA-N 1 0 297.280 2.233 10 30 CEEERO C#CC(C)(C)[NH2+]Cc1ccc(Br)cn1 ZINC000069938861 363014708 /nfs/dbraw/zinc/01/47/08/363014708.db2.gz ICWJOUKBBVXQFP-UHFFFAOYSA-N 1 0 253.143 2.346 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000072878267 363176027 /nfs/dbraw/zinc/17/60/27/363176027.db2.gz OMNGUVSQHMWZPI-NXEZZACHSA-N 1 0 268.307 2.306 10 30 CEEERO COc1ccc(C[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)cc1C#N ZINC000154103152 188123593 /nfs/dbraw/zinc/12/35/93/188123593.db2.gz CWGVKMBTPPYECI-BBRMVZONSA-N 1 0 287.407 2.385 10 30 CEEERO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000337316910 366141775 /nfs/dbraw/zinc/14/17/75/366141775.db2.gz YRWWNEIHBDFNGL-KLHDSHLOSA-N 1 0 275.396 2.445 10 30 CEEERO N#Cc1cc2c(nc1N1CCC[C@@H](C[NH3+])C1)CCCC2 ZINC000044532242 283115600 /nfs/dbraw/zinc/11/56/00/283115600.db2.gz CORLVYYDIMAQAC-LBPRGKRZSA-N 1 0 270.380 2.007 10 30 CEEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCC#N ZINC000076950794 363543453 /nfs/dbraw/zinc/54/34/53/363543453.db2.gz BLKAZAPJVQRJGY-AVGNSLFASA-N 1 0 250.342 2.096 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178671350 189136016 /nfs/dbraw/zinc/13/60/16/189136016.db2.gz LHCOYQLKBRVCAU-BXUZGUMPSA-N 1 0 291.351 2.326 10 30 CEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(C#N)cc1 ZINC000178991926 189159911 /nfs/dbraw/zinc/15/99/11/189159911.db2.gz BXQKKWDOAJGIID-QGZVFWFLSA-N 1 0 299.418 2.337 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)o1 ZINC000184054850 189375140 /nfs/dbraw/zinc/37/51/40/189375140.db2.gz RWOWPHGAZYQMIF-CHWSQXEVSA-N 1 0 259.353 2.210 10 30 CEEERO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)no1 ZINC000092813926 364109788 /nfs/dbraw/zinc/10/97/88/364109788.db2.gz DWENMWFNEODEOQ-LBPRGKRZSA-N 1 0 286.335 2.297 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccnc(C#N)c1 ZINC000094446069 364275334 /nfs/dbraw/zinc/27/53/34/364275334.db2.gz LMXYIOCQBKUJEI-CZUORRHYSA-N 1 0 270.380 2.012 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000120938241 365499515 /nfs/dbraw/zinc/49/95/15/365499515.db2.gz BBJCIQFWUIKUQV-SWLSCSKDSA-N 1 0 273.355 2.366 10 30 CEEERO C#CCN(C(=O)N[C@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC000164543595 367287860 /nfs/dbraw/zinc/28/78/60/367287860.db2.gz PPJANJWGZVOVLB-AWEZNQCLSA-N 1 0 277.412 2.058 10 30 CEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)CC2 ZINC000192984553 369878398 /nfs/dbraw/zinc/87/83/98/369878398.db2.gz PDQKCYVBIDACIM-MELADBBJSA-N 1 0 287.411 2.388 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248614255 371222329 /nfs/dbraw/zinc/22/23/29/371222329.db2.gz HVGGLIKRKLKRNS-MJBXVCDLSA-N 1 0 250.386 2.284 10 30 CEEERO C=C(Br)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252961706 371491904 /nfs/dbraw/zinc/49/19/04/371491904.db2.gz OLPKODHSPHOQTI-NSHDSACASA-N 1 0 259.191 2.065 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382462477 375185883 /nfs/dbraw/zinc/18/58/83/375185883.db2.gz XEFGQWRJRMYLEW-KCJUWKMLSA-N 1 0 295.184 2.255 10 30 CEEERO N#Cc1cccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c1F ZINC000300240110 379157001 /nfs/dbraw/zinc/15/70/01/379157001.db2.gz INFAZBJZXYGZSC-HNNXBMFYSA-N 1 0 273.355 2.367 10 30 CEEERO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000302726821 379438702 /nfs/dbraw/zinc/43/87/02/379438702.db2.gz ODBSZGSLKBSDTC-UHFFFAOYSA-N 1 0 289.339 2.146 10 30 CEEERO C[C@H]1C[C@H](O)C[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000334828083 207147760 /nfs/dbraw/zinc/14/77/60/207147760.db2.gz UZEUWLXACCXAKY-JSGCOSHPSA-N 1 0 269.348 2.014 10 30 CEEERO OCCC#Cc1csc(C[NH+]2CCSCC2)c1 ZINC000043698517 184560374 /nfs/dbraw/zinc/56/03/74/184560374.db2.gz ZBXNGUOQSDPYHU-UHFFFAOYSA-N 1 0 267.419 2.031 10 30 CEEERO N#Cc1ccc(O[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000093220047 184656898 /nfs/dbraw/zinc/65/68/98/184656898.db2.gz DMSRAEZVRPZPPX-GHMZBOCLSA-N 1 0 261.281 2.115 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@]12CCCCc1ccccc12 ZINC000093375154 184668091 /nfs/dbraw/zinc/66/80/91/184668091.db2.gz GZGLBQDCGLTZGZ-INIZCTEOSA-N 1 0 255.365 2.425 10 30 CEEERO C[C@@H]1CC[C@H](C#N)[C@H](N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)C1 ZINC000094460511 184805161 /nfs/dbraw/zinc/80/51/61/184805161.db2.gz FDCMSAXJYZNOBB-DGADGQDISA-N 1 0 261.413 2.483 10 30 CEEERO N#CCCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249547544 394557286 /nfs/dbraw/zinc/55/72/86/394557286.db2.gz GQJCPUMKZYIPIJ-KBPBESRZSA-N 1 0 264.394 2.450 10 30 CEEERO CS(=O)(=O)c1ccc(NC(=[NH2+])c2ccccc2)cc1 ZINC000062989025 400240644 /nfs/dbraw/zinc/24/06/44/400240644.db2.gz YRUQSTPTYJTPMI-UHFFFAOYSA-N 1 0 274.345 2.127 10 30 CEEERO C=CCOCC[N@H+]1C[C@H]2CCCCN2C[C@@H]1CC ZINC000302328172 400331198 /nfs/dbraw/zinc/33/11/98/400331198.db2.gz FVUFYWRGBNYYLQ-LSDHHAIUSA-N 1 0 252.402 2.138 10 30 CEEERO Cc1ccc(N2C(=O)c3ccccc3C2=O)cc1C#CC[NH3+] ZINC000306367224 400332463 /nfs/dbraw/zinc/33/24/63/400332463.db2.gz IWAZTFNKCUDLII-UHFFFAOYSA-N 1 0 290.322 2.106 10 30 CEEERO Cc1nc(NC[C@H]([NH3+])C2CC2)c(Cl)cc1C#N ZINC000261552985 153757909 /nfs/dbraw/zinc/75/79/09/153757909.db2.gz NOBAGJCIFBXEJJ-NSHDSACASA-N 1 0 250.733 2.064 10 30 CEEERO N#Cc1cc(Br)cnc1NCC[C@@H]1CC[NH2+]C1 ZINC000261564577 153758945 /nfs/dbraw/zinc/75/89/45/153758945.db2.gz XTCGVSSEWRUOBG-VIFPVBQESA-N 1 0 295.184 2.127 10 30 CEEERO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131809205 162299329 /nfs/dbraw/zinc/29/93/29/162299329.db2.gz PSSCOSLVKZXSLJ-UHFFFAOYSA-N 1 0 262.313 2.396 10 30 CEEERO C[NH2+]C[C@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000169067452 165034453 /nfs/dbraw/zinc/03/44/53/165034453.db2.gz LJZIYCQJMSUWOU-SNVBAGLBSA-N 1 0 294.196 2.366 10 30 CEEERO CC1(C)Oc2ccc(C#N)cc2[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000022055171 171351184 /nfs/dbraw/zinc/35/11/84/171351184.db2.gz UCEHSLHTSICLRD-CABCVRRESA-N 1 0 272.348 2.227 10 30 CEEERO CC[C@@H](C)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000035248148 172078796 /nfs/dbraw/zinc/07/87/96/172078796.db2.gz KKEXMVGYYVRZAS-MRVPVSSYSA-N 1 0 263.366 2.250 10 30 CEEERO CC[C@H](C)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000035248150 172078966 /nfs/dbraw/zinc/07/89/66/172078966.db2.gz KKEXMVGYYVRZAS-QMMMGPOBSA-N 1 0 263.366 2.250 10 30 CEEERO C#CC[NH+]1CCC(Nc2ccc(F)cc2F)CC1 ZINC000037212334 173033685 /nfs/dbraw/zinc/03/36/85/173033685.db2.gz IXLVXJMKKIHULE-UHFFFAOYSA-N 1 0 250.292 2.474 10 30 CEEERO CC(C)OCCC[NH2+]Cc1cccc(OCC#N)c1 ZINC000037239578 173056276 /nfs/dbraw/zinc/05/62/76/173056276.db2.gz BQLAELHHDXFAGC-UHFFFAOYSA-N 1 0 262.353 2.494 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000037821063 173773784 /nfs/dbraw/zinc/77/37/84/173773784.db2.gz FVIXNNXNQVBAAC-GXTWGEPZSA-N 1 0 259.353 2.085 10 30 CEEERO CCC[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000037852817 173805182 /nfs/dbraw/zinc/80/51/82/173805182.db2.gz HPUJERBSWAFICW-OCCSQVGLSA-N 1 0 262.353 2.076 10 30 CEEERO CC[C@@H]1CCCN1C(=O)c1cccc(C#CC[NH3+])c1 ZINC000037915537 173849896 /nfs/dbraw/zinc/84/98/96/173849896.db2.gz MPUJTLDIQHTKIV-OAHLLOKOSA-N 1 0 256.349 2.011 10 30 CEEERO C[C@@](C#N)(CCc1ccccc1)N1CCC[NH2+]CC1 ZINC000037940523 173880720 /nfs/dbraw/zinc/88/07/20/173880720.db2.gz XTWWHDAWAHIOKP-INIZCTEOSA-N 1 0 257.381 2.197 10 30 CEEERO CC(C)Oc1cccc([C@@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000040641453 174364288 /nfs/dbraw/zinc/36/42/88/174364288.db2.gz UUUJOHGYUXUOKN-MRXNPFEDSA-N 1 0 273.380 2.334 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CC)C[C@@H](C)C#N ZINC000043348194 175018669 /nfs/dbraw/zinc/01/86/69/175018669.db2.gz IASLGATXUYRJQR-CFVMTHIKSA-N 1 0 260.385 2.342 10 30 CEEERO [NH3+]CC#Cc1ccsc1COC[C@@H]1CCCCO1 ZINC000043685052 175094138 /nfs/dbraw/zinc/09/41/38/175094138.db2.gz PXEVSKMAHSEFRM-ZDUSSCGKSA-N 1 0 265.378 2.144 10 30 CEEERO CCO[C@@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043698666 175096819 /nfs/dbraw/zinc/09/68/19/175096819.db2.gz DYTBUOCLYPVJTD-CQSZACIVSA-N 1 0 279.405 2.093 10 30 CEEERO C[N@@H+]1CCCN(C(=O)C2(C#N)CCCCCC2)CC1 ZINC000044765286 175249081 /nfs/dbraw/zinc/24/90/81/175249081.db2.gz WINOASHLKPZHSR-UHFFFAOYSA-N 1 0 263.385 2.015 10 30 CEEERO CCCC(C#N)(CCC)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044828216 175260100 /nfs/dbraw/zinc/26/01/00/175260100.db2.gz IHMIUYQFUOBXTL-CYBMUJFWSA-N 1 0 277.412 2.449 10 30 CEEERO CC(C)[N@@H+]1CC[C@H](CNc2ccc(N)cc2C#N)C1 ZINC000045118743 175311732 /nfs/dbraw/zinc/31/17/32/175311732.db2.gz PQXPJBFHWBSFLF-GFCCVEGCSA-N 1 0 258.369 2.283 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCC[N@H+](C)C1CCN(C)CC1 ZINC000045307920 175356552 /nfs/dbraw/zinc/35/65/52/175356552.db2.gz WTNCYWHRXRVMGD-QGZVFWFLSA-N 1 0 294.487 2.463 10 30 CEEERO C[N@H+](CCCC[C@@](C)(C#N)NC1CC1)C1CCOCC1 ZINC000045311863 175357240 /nfs/dbraw/zinc/35/72/40/175357240.db2.gz XSRZCTGZVTWQFS-INIZCTEOSA-N 1 0 279.428 2.302 10 30 CEEERO COCCC[N@H+](CCC[C@@](C)(C#N)NC(C)C)CCOC ZINC000045317026 175358300 /nfs/dbraw/zinc/35/83/00/175358300.db2.gz WLBHOXDDTXGJRU-INIZCTEOSA-N 1 0 299.459 2.032 10 30 CEEERO O=C(C#Cc1ccccc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000063189387 175683686 /nfs/dbraw/zinc/68/36/86/175683686.db2.gz KVAWWJBWZJGNJN-IAGOWNOFSA-N 1 0 282.387 2.171 10 30 CEEERO C[C@@H](C[NH2+]C1CC1)CN(CCC#N)Cc1cccnc1 ZINC000070526033 175970420 /nfs/dbraw/zinc/97/04/20/175970420.db2.gz MCBUDMIPPUPWHS-AWEZNQCLSA-N 1 0 272.396 2.185 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccsc1)N(CCC#N)CCOC ZINC000071221964 176087514 /nfs/dbraw/zinc/08/75/14/176087514.db2.gz MPPURMIMMYLCFB-KGLIPLIRSA-N 1 0 281.425 2.389 10 30 CEEERO COCCN(CCC#N)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000071232840 176092782 /nfs/dbraw/zinc/09/27/82/176092782.db2.gz HQFRXVLBAXLSIB-LBPRGKRZSA-N 1 0 290.367 2.100 10 30 CEEERO C[C@H](c1ccc(C#CC[NH3+])cc1)N1CCCCCC1=O ZINC000071278326 176107654 /nfs/dbraw/zinc/10/76/54/176107654.db2.gz GIAVFEYHGIVZRR-CQSZACIVSA-N 1 0 270.376 2.460 10 30 CEEERO CN(c1ccc(C(F)(F)F)cc1C#N)[C@H]1CC[NH2+]C1 ZINC000071311700 176118843 /nfs/dbraw/zinc/11/88/43/176118843.db2.gz LBPUXIGUHKJPOB-NSHDSACASA-N 1 0 269.270 2.375 10 30 CEEERO N#Cc1cc2ccccc2nc1OC1CC[NH2+]CC1 ZINC000071386298 176147279 /nfs/dbraw/zinc/14/72/79/176147279.db2.gz LMMHBDLXKNZRNG-UHFFFAOYSA-N 1 0 253.305 2.237 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406536 176155715 /nfs/dbraw/zinc/15/57/15/176155715.db2.gz KHERWKQSSNUTHT-AWEZNQCLSA-N 1 0 288.391 2.010 10 30 CEEERO Cc1ccncc1NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000071414779 176160007 /nfs/dbraw/zinc/16/00/07/176160007.db2.gz GFFYRBPLLSUNHV-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO COC[C@H]1CC[N@H+](CCOc2ccc(CC#N)cc2)C1 ZINC000077897262 177307535 /nfs/dbraw/zinc/30/75/35/177307535.db2.gz GGEAKYBSTUIUCF-HNNXBMFYSA-N 1 0 274.364 2.100 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000078595525 260300870 /nfs/dbraw/zinc/30/08/70/260300870.db2.gz CRTYBASBGVELIC-WDEREUQCSA-N 1 0 295.333 2.376 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261587045 274919535 /nfs/dbraw/zinc/91/95/35/274919535.db2.gz UUBCYHMYIZVCOB-CMPLNLGQSA-N 1 0 261.756 2.257 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NCC1([NH3+])CCC1 ZINC000236195746 274922474 /nfs/dbraw/zinc/92/24/74/274922474.db2.gz PEUBFSCSGFRRAE-UHFFFAOYSA-N 1 0 270.258 2.265 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc(C#N)c1 ZINC000245431301 280239884 /nfs/dbraw/zinc/23/98/84/280239884.db2.gz NYHKEKJWBPSVCV-SJORKVTESA-N 1 0 299.418 2.496 10 30 CEEERO Cc1nc(C[C@H]2CCC[N@H+](CCCCC#N)C2)no1 ZINC000171037821 329074121 /nfs/dbraw/zinc/07/41/21/329074121.db2.gz MYFSNQMWNLCFSB-CYBMUJFWSA-N 1 0 262.357 2.326 10 30 CEEERO C=CC[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000177521042 329185317 /nfs/dbraw/zinc/18/53/17/329185317.db2.gz SVBQNBMELNJIMF-QWHCGFSZSA-N 1 0 253.390 2.077 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000185559425 329326504 /nfs/dbraw/zinc/32/65/04/329326504.db2.gz HVGGLIKRKLKRNS-BFHYXJOUSA-N 1 0 250.386 2.284 10 30 CEEERO C[NH+]=C(NCc1nccc2ccccc21)NC1CC1 ZINC000262158677 330000868 /nfs/dbraw/zinc/00/08/68/330000868.db2.gz SIIBTLRZPDDDMV-UHFFFAOYSA-N 1 0 254.337 2.062 10 30 CEEERO C[NH+]=C(NCc1c(C)c2ccccc2n1C)NC1CC1 ZINC000262415737 330009095 /nfs/dbraw/zinc/00/90/95/330009095.db2.gz UAZYVBHQEFYRIJ-UHFFFAOYSA-N 1 0 270.380 2.314 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262382710 330012050 /nfs/dbraw/zinc/01/20/50/330012050.db2.gz KRXVKYHNRIBOJJ-ODXJTPSBSA-N 1 0 279.428 2.154 10 30 CEEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262476181 330016162 /nfs/dbraw/zinc/01/61/62/330016162.db2.gz ZVKPAOLXESLKIU-RQJABVFESA-N 1 0 281.444 2.400 10 30 CEEERO CC(C)(C)NC(=[NH2+])NC[C@H](O)c1ccc(Cl)s1 ZINC000262528920 330019702 /nfs/dbraw/zinc/01/97/02/330019702.db2.gz MLNKCNRJJNNLOR-ZETCQYMHSA-N 1 0 275.805 2.138 10 30 CEEERO CC(C)NC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000262532801 330019969 /nfs/dbraw/zinc/01/99/69/330019969.db2.gz OLCMXGKJKCSSAG-KCJUWKMLSA-N 1 0 253.296 2.133 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=[NH2+])NC(C)C ZINC000262522167 330022832 /nfs/dbraw/zinc/02/28/32/330022832.db2.gz JAQFTUYHHLMLOF-ZFWWWQNUSA-N 1 0 261.369 2.038 10 30 CEEERO C[NH+]=C(NC1CC1)N[C@@H]1C[C@]1(C)c1ccccc1OC ZINC000262638879 330023930 /nfs/dbraw/zinc/02/39/30/330023930.db2.gz GWEUBNWLVNLDPU-GDBMZVCRSA-N 1 0 273.380 2.053 10 30 CEEERO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000262685968 330027261 /nfs/dbraw/zinc/02/72/61/330027261.db2.gz AONYYARBGLGKBC-MGPQQGTHSA-N 1 0 259.353 2.289 10 30 CEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCN(c2ccccc2)C1 ZINC000262729928 330028730 /nfs/dbraw/zinc/02/87/30/330028730.db2.gz HVJDOUVEUBCJTD-UKRRQHHQSA-N 1 0 286.423 2.229 10 30 CEEERO CC1(C)CCC[C@@](O)(CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262769457 330030283 /nfs/dbraw/zinc/03/02/83/330030283.db2.gz IGZCKVONOOIZEB-HNNXBMFYSA-N 1 0 276.384 2.140 10 30 CEEERO CC[NH+]=C(NCC1CCC1)NC[C@]1(C)CCCC[C@@H]1O ZINC000262793981 330032030 /nfs/dbraw/zinc/03/20/30/330032030.db2.gz OWPRHDLCHWVAAH-HOCLYGCPSA-N 1 0 281.444 2.283 10 30 CEEERO [NH2+]=C(NCCc1cccs1)NC[C@@H]1CC12CCOCC2 ZINC000262839178 330034958 /nfs/dbraw/zinc/03/49/58/330034958.db2.gz TZRHGZKCOOLXCR-LBPRGKRZSA-N 1 0 293.436 2.012 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000247270863 334278485 /nfs/dbraw/zinc/27/84/85/334278485.db2.gz JWIUTXPBDACYQS-UONOGXRCSA-N 1 0 277.412 2.305 10 30 CEEERO C=CCCCCC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000193362423 333248600 /nfs/dbraw/zinc/24/86/00/333248600.db2.gz SNMNXJNRQLUICE-OAHLLOKOSA-N 1 0 254.418 2.121 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](CCC)CC1 ZINC000068611232 520031828 /nfs/dbraw/zinc/03/18/28/520031828.db2.gz OBFAVQCOMIJCPD-HZPDHXFCSA-N 1 0 280.460 2.074 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CNc1cc(C)nc(C)c1C#N ZINC000157378650 521658234 /nfs/dbraw/zinc/65/82/34/521658234.db2.gz AILIAFNNWXZFHA-ZDUSSCGKSA-N 1 0 258.369 2.466 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611472 519739352 /nfs/dbraw/zinc/73/93/52/519739352.db2.gz QTEMECFHDVNLEN-HOCLYGCPSA-N 1 0 280.460 2.071 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CC[NH+](CC(C)C)CC1 ZINC000055081116 520099827 /nfs/dbraw/zinc/09/98/27/520099827.db2.gz DKZAULSSSYKTTI-KRWDZBQOSA-N 1 0 294.487 2.322 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000068615077 520103148 /nfs/dbraw/zinc/10/31/48/520103148.db2.gz BJQKNWQXKGKTLR-SJORKVTESA-N 1 0 294.487 2.320 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615611 520103817 /nfs/dbraw/zinc/10/38/17/520103817.db2.gz DOWYURJAHWOHLH-BBWFWOEESA-N 1 0 292.471 2.217 10 30 CEEERO CC[NH2+][C@H](C)CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000061273875 520171795 /nfs/dbraw/zinc/17/17/95/520171795.db2.gz VRQWXMJAZIILOP-SECBINFHSA-N 1 0 277.393 2.435 10 30 CEEERO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C#N)c1ccccc1 ZINC000061615424 520718527 /nfs/dbraw/zinc/71/85/27/520718527.db2.gz WFEFWASDYJZCTR-HIFRSBDPSA-N 1 0 273.380 2.140 10 30 CEEERO CCN(CC1CC1)C(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000069263399 520953378 /nfs/dbraw/zinc/95/33/78/520953378.db2.gz VQIMLQIXFQVLOK-UHFFFAOYSA-N 1 0 274.339 2.008 10 30 CEEERO CCN(Cc1cccnc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000061659574 521394214 /nfs/dbraw/zinc/39/42/14/521394214.db2.gz JCNAQHHXLCOQKU-YIONKMFJSA-N 1 0 270.380 2.058 10 30 CEEERO CC[C@H](C)[C@@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000049105795 521817450 /nfs/dbraw/zinc/81/74/50/521817450.db2.gz VSONWXCLKJGVMV-QWHCGFSZSA-N 1 0 258.365 2.161 10 30 CEEERO CC[C@H](C)[C@@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049105771 521817932 /nfs/dbraw/zinc/81/79/32/521817932.db2.gz HTKJNXKFBDPNKD-QWHCGFSZSA-N 1 0 258.365 2.161 10 30 CEEERO C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCCCC#N ZINC000049578314 522115658 /nfs/dbraw/zinc/11/56/58/522115658.db2.gz PLFLQIHCJWXIKC-UHFFFAOYSA-N 1 0 263.297 2.387 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(CC(=O)c2ccc(C#N)cc2)CC1 ZINC000055068211 522117160 /nfs/dbraw/zinc/11/71/60/522117160.db2.gz QKIORSMNWRGMLD-CQSZACIVSA-N 1 0 285.391 2.157 10 30 CEEERO CN(C[C@H]1CC[N@H+](C)C1)c1cc(C#N)c2ccccc2n1 ZINC000068796402 523140655 /nfs/dbraw/zinc/14/06/55/523140655.db2.gz SZLDESDXLCAWHQ-ZDUSSCGKSA-N 1 0 280.375 2.494 10 30 CEEERO N#CCc1ccc(OCc2ccc(NN)[nH+]c2)cc1 ZINC000051148660 526485358 /nfs/dbraw/zinc/48/53/58/526485358.db2.gz HYXNJFXMDOJQNI-UHFFFAOYSA-N 1 0 254.293 2.012 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@H]1CCC[C@@H]1[NH3+] ZINC000063176904 526777087 /nfs/dbraw/zinc/77/70/87/526777087.db2.gz XCCHYTRCZCNMRV-JSGCOSHPSA-N 1 0 252.321 2.398 10 30 CEEERO N#Cc1ncccc1COc1ccccc1CC[NH3+] ZINC000061659802 526791097 /nfs/dbraw/zinc/79/10/97/526791097.db2.gz GIUZEBHZEWMJHO-UHFFFAOYSA-N 1 0 253.305 2.033 10 30 CEEERO N#Cc1ccc(N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000236286250 625919560 /nfs/dbraw/zinc/91/95/60/625919560.db2.gz ZZUUSFZTVGJLIK-CYBMUJFWSA-N 1 0 274.324 2.396 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccnc(C#N)c1 ZINC000094447246 628847150 /nfs/dbraw/zinc/84/71/50/628847150.db2.gz AQQZLPPSKFOMGD-IUODEOHRSA-N 1 0 256.353 2.016 10 30 CEEERO CCc1nc(CNC(N[C@@H](C)C(C)C)=[NH+]C)cs1 ZINC000085712410 631319328 /nfs/dbraw/zinc/31/93/28/631319328.db2.gz HFDNLROQCUEYRN-JTQLQIEISA-N 1 0 268.430 2.415 10 30 CEEERO C#CC[NH2+]CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000105861409 640954600 /nfs/dbraw/zinc/95/46/00/640954600.db2.gz GKEMNMSVEATTKJ-ZDUSSCGKSA-N 1 0 258.365 2.210 10 30 CEEERO C#CC[NH2+]CC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000105861408 640954728 /nfs/dbraw/zinc/95/47/28/640954728.db2.gz GKEMNMSVEATTKJ-CYBMUJFWSA-N 1 0 258.365 2.210 10 30 CEEERO C#CCOc1ccc(C[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000113326583 644355898 /nfs/dbraw/zinc/35/58/98/644355898.db2.gz GPIXWCZDAZVLOR-MRXNPFEDSA-N 1 0 272.392 2.273 10 30 CEEERO C[C@]1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CCC[NH2+]C1 ZINC000129334790 651917719 /nfs/dbraw/zinc/91/77/19/651917719.db2.gz VVKMKXBJHSCUFW-AWEZNQCLSA-N 1 0 274.324 2.268 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(C#N)cc1Br ZINC000214316283 652372091 /nfs/dbraw/zinc/37/20/91/652372091.db2.gz ALSIMMJSJKEVID-MWLCHTKSSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000132445427 652521672 /nfs/dbraw/zinc/52/16/72/652521672.db2.gz NOBPYPVMCVYLAX-YPMHNXCESA-N 1 0 266.348 2.280 10 30 CEEERO C[N+]1(CCON=Cc2ccccn2)CCCCCC1 ZINC000254565780 717170748 /nfs/dbraw/zinc/17/07/48/717170748.db2.gz FOFLPBSSZARPAY-UHFFFAOYSA-N 1 0 262.377 2.453 10 30 CEEERO C=C[C@@H]([NH3+])c1cccc(I)c1 ZINC000095779269 185028020 /nfs/dbraw/zinc/02/80/20/185028020.db2.gz QJDONQJSMNYLMF-SECBINFHSA-N 1 0 259.090 2.477 10 30 CEEERO N#Cc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc1F ZINC000121360662 365559783 /nfs/dbraw/zinc/55/97/83/365559783.db2.gz CNYDMCCALPOUED-OAHLLOKOSA-N 1 0 273.355 2.367 10 30 CEEERO C=C(Br)C[NH2+]CCOCC(F)(F)F ZINC000082627581 178140407 /nfs/dbraw/zinc/14/04/07/178140407.db2.gz HSWOUSJXZTWMIK-UHFFFAOYSA-N 1 0 262.069 2.064 10 30 CEEERO C=CCCO[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000125166534 187172844 /nfs/dbraw/zinc/17/28/44/187172844.db2.gz ZHAOJHDSLIALFD-HOCLYGCPSA-N 1 0 290.407 2.387 10 30 CEEERO CC1(C)Oc2ccc(C#N)cc2[C@H]([NH+]2CCCC2)[C@H]1O ZINC000039426700 361988984 /nfs/dbraw/zinc/98/89/84/361988984.db2.gz UCEHSLHTSICLRD-LSDHHAIUSA-N 1 0 272.348 2.227 10 30 in-vitro CEEERO C[C@@H](C#N)Oc1c(Br)cccc1C[NH3+] ZINC000043513818 362146954 /nfs/dbraw/zinc/14/69/54/362146954.db2.gz RMZBSEGLCZZBJV-ZETCQYMHSA-N 1 0 255.115 2.199 10 30 CEEERO C=CCOc1ccccc1C[NH2+]C[C@H]1CN(CC)CCO1 ZINC000134438808 344374388 /nfs/dbraw/zinc/37/43/88/344374388.db2.gz CMAYTELCVGBVND-INIZCTEOSA-N 1 0 290.407 2.062 10 30 CEEERO CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1c1ccc(C#N)cc1 ZINC000166736271 344476819 /nfs/dbraw/zinc/47/68/19/344476819.db2.gz XJMXRDZJWWOKNT-CQSZACIVSA-N 1 0 287.363 2.440 10 30 CEEERO C[C@@]1(/[N+](O)=C/c2cccc([N+](=O)[O-])c2)CCCCC1=O ZINC000225397345 344545162 /nfs/dbraw/zinc/54/51/62/344545162.db2.gz JBGQBMLXIBXFDR-MKRLJBPISA-N 1 0 277.300 2.317 10 30 CEEERO CC1([NH3+])CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000591434654 345253278 /nfs/dbraw/zinc/25/32/78/345253278.db2.gz HXTDPKGJXUPWSN-UHFFFAOYSA-N 1 0 266.348 2.424 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000084295387 178847205 /nfs/dbraw/zinc/84/72/05/178847205.db2.gz ATVCEKPUGFFXRD-DZGCQCFKSA-N 1 0 267.417 2.015 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1cc(C#N)c2ccccc2n1 ZINC000596029817 345925930 /nfs/dbraw/zinc/92/59/30/345925930.db2.gz BSPRBVFRJNDUQA-CQSZACIVSA-N 1 0 268.364 2.314 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085358873 179031083 /nfs/dbraw/zinc/03/10/83/179031083.db2.gz WMWOLQPJYHACIK-JOYOIKCWSA-N 1 0 261.300 2.153 10 30 CEEERO N#Cc1cccc(N2CCCCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000600958203 346717934 /nfs/dbraw/zinc/71/79/34/346717934.db2.gz BTLCRVQMRNRQGH-LBPRGKRZSA-N 1 0 274.324 2.174 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2cc(C#CC[NH3+])ccc2F)[C@@H]1C ZINC000086081150 179227627 /nfs/dbraw/zinc/22/76/27/179227627.db2.gz ZKYJMMCHODFACU-HSMVNMDESA-N 1 0 288.366 2.300 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CC[NH3+])cc2F)[C@@H]1C ZINC000086081156 179227545 /nfs/dbraw/zinc/22/75/45/179227545.db2.gz UDROPVXCXLCAJU-XHBSWPGZSA-N 1 0 288.366 2.300 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CN3CCC2CC3)C1 ZINC000086036113 179221083 /nfs/dbraw/zinc/22/10/83/179221083.db2.gz MJWSOPIETAAMNB-LXPRWKDFSA-N 1 0 281.403 2.294 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2cc(C#CC[NH3+])ccc2F)[C@@H]1C ZINC000086081152 179227586 /nfs/dbraw/zinc/22/75/86/179227586.db2.gz ZKYJMMCHODFACU-XHBSWPGZSA-N 1 0 288.366 2.300 10 30 CEEERO C[C@H](Cn1cccn1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037120 179221537 /nfs/dbraw/zinc/22/15/37/179221537.db2.gz QWOKBZCDQFLZJC-ODIFPOPNSA-N 1 0 280.375 2.485 10 30 CEEERO CC(C)[C@@H](C[NH3+])C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000087532436 179441580 /nfs/dbraw/zinc/44/15/80/179441580.db2.gz GQWFECSMVSOCRM-SNVBAGLBSA-N 1 0 277.393 2.278 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1Cc1ccc(OC)c(C#N)c1 ZINC000087824835 179494938 /nfs/dbraw/zinc/49/49/38/179494938.db2.gz MWWQRBALJJFQJJ-OAHLLOKOSA-N 1 0 273.380 2.141 10 30 CEEERO N#Cc1ccc([C@H]2CNc3ccccc3N2CC[NH3+])cc1 ZINC000616584851 348527162 /nfs/dbraw/zinc/52/71/62/348527162.db2.gz NAQLVUMSDPTKET-QGZVFWFLSA-N 1 0 278.359 2.490 10 30 CEEERO N#Cc1cnc2ccccc2c1NC[C@@H]([NH3+])C1CC1 ZINC000129312242 187422999 /nfs/dbraw/zinc/42/29/99/187422999.db2.gz KLRDKYVMLOALEV-CYBMUJFWSA-N 1 0 252.321 2.256 10 30 CEEERO CC1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000129450048 187432251 /nfs/dbraw/zinc/43/22/51/187432251.db2.gz ZDSJFJDLUPXAHF-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO C#CCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]CCC)c1 ZINC000090871599 180050194 /nfs/dbraw/zinc/05/01/94/180050194.db2.gz YVDOALAXELZQOO-CYBMUJFWSA-N 1 0 290.432 2.416 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)[C@H]2Cc3ccccc32)s1 ZINC000090985726 180080937 /nfs/dbraw/zinc/08/09/37/180080937.db2.gz JVDGFUBMIDSLDA-INIZCTEOSA-N 1 0 296.395 2.014 10 30 CEEERO C[C@@H]1CCC[C@@H](N(C)C(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091462031 180162697 /nfs/dbraw/zinc/16/26/97/180162697.db2.gz UDVWCARLFMYWAA-UKRRQHHQSA-N 1 0 285.391 2.043 10 30 CEEERO CC#CC[C@@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646354 180215248 /nfs/dbraw/zinc/21/52/48/180215248.db2.gz JDMZARRORQKTBU-MRXNPFEDSA-N 1 0 278.440 2.413 10 30 CEEERO C=CC[C@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646291 180215711 /nfs/dbraw/zinc/21/57/11/180215711.db2.gz IUJUFHNWSSBOOP-AWEZNQCLSA-N 1 0 252.402 2.186 10 30 CEEERO N#CC[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000091667983 180224190 /nfs/dbraw/zinc/22/41/90/180224190.db2.gz RYTCVHOYJMBNQO-ZACQAIPSSA-N 1 0 285.391 2.094 10 30 CEEERO C=CCCC[C@H]([NH2+]CC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091722040 180241114 /nfs/dbraw/zinc/24/11/14/180241114.db2.gz PTSXFHCYNSNXRJ-ILXRZTDVSA-N 1 0 252.402 2.184 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C ZINC000092473758 180392813 /nfs/dbraw/zinc/39/28/13/180392813.db2.gz JNKKRFNTIYVENY-OLZOCXBDSA-N 1 0 252.402 2.483 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000130570858 365969499 /nfs/dbraw/zinc/96/94/99/365969499.db2.gz JJCVSFDUYRVMTH-NSHDSACASA-N 1 0 262.313 2.396 10 30 CEEERO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])cc1C#N ZINC000130059633 187468127 /nfs/dbraw/zinc/46/81/27/187468127.db2.gz BNTUXYIUMYEPHM-UHFFFAOYSA-N 1 0 262.313 2.396 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000070174821 363048952 /nfs/dbraw/zinc/04/89/52/363048952.db2.gz VTIFTVSCDMJQKM-JSGCOSHPSA-N 1 0 284.407 2.396 10 30 CEEERO CC(=O)c1ccc(C#N)cc1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000131318694 366042299 /nfs/dbraw/zinc/04/22/99/366042299.db2.gz CUUJKCLALITJIQ-ZBEGNZNMSA-N 1 0 271.364 2.147 10 30 CEEERO N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252870533 283076283 /nfs/dbraw/zinc/07/62/83/283076283.db2.gz SLPMUCGUFAJXIF-JKOKRWQUSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1cc2c(nc1N1CC[C@@H]3[NH2+]CC[C@@H]3C1)CCCC2 ZINC000261609937 283116212 /nfs/dbraw/zinc/11/62/12/283116212.db2.gz DSPVKDQTJZJLGD-HIFRSBDPSA-N 1 0 282.391 2.020 10 30 CEEERO N#Cc1cc2c(nc1N1CCC[C@H](C[NH3+])C1)CCCC2 ZINC000044532240 283116173 /nfs/dbraw/zinc/11/61/73/283116173.db2.gz CORLVYYDIMAQAC-GFCCVEGCSA-N 1 0 270.380 2.007 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000083550848 363779410 /nfs/dbraw/zinc/77/94/10/363779410.db2.gz VEPDWNHMWJMJPH-IUODEOHRSA-N 1 0 273.355 2.366 10 30 CEEERO COc1ccc2c(c1)[C@]13CC[N@H+](C)[C@H](C2)[C@@H]1C=CC(=O)C3 ZINC000026672839 361644618 /nfs/dbraw/zinc/64/46/18/361644618.db2.gz KHYDCTMLGIZSEH-JQHSSLGASA-N 1 0 283.371 2.338 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089108779 363932361 /nfs/dbraw/zinc/93/23/61/363932361.db2.gz VOUNCNQPEHVRHT-GXFFZTMASA-N 1 0 274.324 2.396 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000092628669 364090730 /nfs/dbraw/zinc/09/07/30/364090730.db2.gz RDEHAXZXQYQEPD-MRXNPFEDSA-N 1 0 257.381 2.474 10 30 CEEERO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000092797133 364107272 /nfs/dbraw/zinc/10/72/72/364107272.db2.gz LZHDVPXIJMUKNO-CYBMUJFWSA-N 1 0 275.352 2.179 10 30 CEEERO COc1ccc(OCCCC[NH2+]CCS)cc1 ZINC000096328065 364421885 /nfs/dbraw/zinc/42/18/85/364421885.db2.gz XDOLTSBZWGEWFX-UHFFFAOYSA-N 1 0 255.383 2.374 10 30 CEEERO N#Cc1cc(F)c(NC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000116626879 365064384 /nfs/dbraw/zinc/06/43/84/365064384.db2.gz YEFHICMCAFZPLY-JTQLQIEISA-N 1 0 251.280 2.390 10 30 CEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[C@@H](C)O1)C(C)C ZINC000245964827 370895094 /nfs/dbraw/zinc/89/50/94/370895094.db2.gz DMASGYUEHLUCGY-BZUAXINKSA-N 1 0 294.439 2.369 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000246076077 370906094 /nfs/dbraw/zinc/90/60/94/370906094.db2.gz YPDKXCBIBORESX-CVEARBPZSA-N 1 0 289.423 2.451 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCSCC#N ZINC000246366409 370951119 /nfs/dbraw/zinc/95/11/19/370951119.db2.gz XZAAKZJSEPOYAM-KBPBESRZSA-N 1 0 267.442 2.192 10 30 CEEERO C=CCCCCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000193376782 369934856 /nfs/dbraw/zinc/93/48/56/369934856.db2.gz FTQOYNRYVSIILO-CVEARBPZSA-N 1 0 266.429 2.385 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(C#N)c2)C1 ZINC000246731210 371001149 /nfs/dbraw/zinc/00/11/49/371001149.db2.gz AOFPYTOXCKJFRQ-SWLSCSKDSA-N 1 0 271.364 2.017 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)o1 ZINC000248401365 371187334 /nfs/dbraw/zinc/18/73/34/371187334.db2.gz RWOWPHGAZYQMIF-OLZOCXBDSA-N 1 0 259.353 2.210 10 30 CEEERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249128995 371298636 /nfs/dbraw/zinc/29/86/36/371298636.db2.gz DEKCTPHWDGVODO-BLLLJJGKSA-N 1 0 271.364 2.220 10 30 CEEERO Cc1cc(C#N)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000249209365 371305303 /nfs/dbraw/zinc/30/53/03/371305303.db2.gz ADKWPKIWAZJPEH-INIZCTEOSA-N 1 0 255.365 2.147 10 30 CEEERO C[C@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249283461 371310541 /nfs/dbraw/zinc/31/05/41/371310541.db2.gz OJRJMDRKDLIBEA-CJNGLKHVSA-N 1 0 255.365 2.399 10 30 CEEERO N#Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000382465266 375186345 /nfs/dbraw/zinc/18/63/45/375186345.db2.gz LKSZAVWURSCTEZ-GXSJLCMTSA-N 1 0 260.297 2.006 10 30 CEEERO N#Cc1ccc(Cl)cc1NC[C@H]1C[NH2+]CCCO1 ZINC000390059359 375310135 /nfs/dbraw/zinc/31/01/35/375310135.db2.gz JGHDYXFBERAWEV-GFCCVEGCSA-N 1 0 265.744 2.002 10 30 CEEERO C#CCNC(=O)[C@@H](C)Sc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000079579805 184594081 /nfs/dbraw/zinc/59/40/81/184594081.db2.gz SDMSXZDQZKHSNZ-VXGBXAGGSA-N 1 0 276.405 2.197 10 30 CEEERO C=CCNC(=O)CSc1ccc([C@H](C)[NH3+])cc1 ZINC000079577277 184594362 /nfs/dbraw/zinc/59/43/62/184594362.db2.gz GPLSSFBOSYJOKV-JTQLQIEISA-N 1 0 250.367 2.101 10 30 CEEERO COCC[N@@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000118398109 285050809 /nfs/dbraw/zinc/05/08/09/285050809.db2.gz KZKMOFUFYPZCNE-CABCVRRESA-N 1 0 287.407 2.272 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1ccc(OCCC)cc1 ZINC000093375196 184668117 /nfs/dbraw/zinc/66/81/17/184668117.db2.gz QIWXHESSHXDRSN-AWEZNQCLSA-N 1 0 259.353 2.333 10 30 CEEERO CN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000094337450 184783280 /nfs/dbraw/zinc/78/32/80/184783280.db2.gz DGNGZGZIDROFSS-JTQLQIEISA-N 1 0 284.285 2.160 10 30 CEEERO CC(C)[C@@H](C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000094337534 184783312 /nfs/dbraw/zinc/78/33/12/184783312.db2.gz LDTSCYBLAWKQGB-SECBINFHSA-N 1 0 272.274 2.367 10 30 CEEERO [NH3+]CC#Cc1cc(NC(=O)[C@@H]2CCCS2)ccc1Cl ZINC000094671729 184838499 /nfs/dbraw/zinc/83/84/99/184838499.db2.gz JTGHGEKKYPPCET-ZDUSSCGKSA-N 1 0 294.807 2.484 10 30 CEEERO N#Cc1nnc2ccccc2c1N1CCCC[C@@H]1CC[NH3+] ZINC000085921013 135038492 /nfs/dbraw/zinc/03/84/92/135038492.db2.gz WQQROKGIXHLWCT-GFCCVEGCSA-N 1 0 281.363 2.209 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000048769986 394528598 /nfs/dbraw/zinc/52/85/98/394528598.db2.gz JQLDVNBDEVPJOX-AWEZNQCLSA-N 1 0 272.352 2.164 10 30 CEEERO CCC#CC[N@@H+]1CCC[C@]2(CCC(=O)N(CC)C2)C1 ZINC000091655875 394657978 /nfs/dbraw/zinc/65/79/78/394657978.db2.gz VOTCORJMVZRSKB-INIZCTEOSA-N 1 0 262.397 2.124 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000132461621 394930660 /nfs/dbraw/zinc/93/06/60/394930660.db2.gz VZDVJVSOIOOQPY-NWDGAFQWSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1CCC[N@@H+]1C1CCN(c2ncccc2C#N)CC1 ZINC000154956520 395025076 /nfs/dbraw/zinc/02/50/76/395025076.db2.gz YEZILVIOCUARLS-ZDUSSCGKSA-N 1 0 270.380 2.406 10 30 CEEERO C[C@H]1CN(c2c(F)cc(C#N)cc2F)[C@@H](C)C[NH2+]1 ZINC000147793628 394973265 /nfs/dbraw/zinc/97/32/65/394973265.db2.gz YJIWWPKTKSJUJZ-IUCAKERBSA-N 1 0 251.280 2.023 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(Cl)c(C#N)s1 ZINC000287421736 395040962 /nfs/dbraw/zinc/04/09/62/395040962.db2.gz QGSWPZZJTKNQOV-BDAKNGLRSA-N 1 0 282.800 2.341 10 30 CEEERO C=CCCCCC[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000193338308 395407109 /nfs/dbraw/zinc/40/71/09/395407109.db2.gz PXOPXZJBVXVDOM-HNNXBMFYSA-N 1 0 263.385 2.330 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000037393489 173173911 /nfs/dbraw/zinc/17/39/11/173173911.db2.gz OAGHQCPLPHOCQE-SNVBAGLBSA-N 1 0 263.728 2.150 10 30 CEEERO C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(C#N)cc1 ZINC000040462988 174272270 /nfs/dbraw/zinc/27/22/70/174272270.db2.gz DEOKXZROESEOTE-ZWNOBZJWSA-N 1 0 259.353 2.109 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(CC#N)CC#N ZINC000042944630 174919662 /nfs/dbraw/zinc/91/96/62/174919662.db2.gz JQSDJSREWMLDDA-ZIAGYGMSSA-N 1 0 276.771 2.468 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CCC#N)C(C)C ZINC000043340888 175014515 /nfs/dbraw/zinc/01/45/15/175014515.db2.gz UMEHYYVXAXSTBN-UKRRQHHQSA-N 1 0 260.385 2.484 10 30 CEEERO N#CCc1ccc(O[C@H](C[NH3+])c2cccnc2)cc1 ZINC000043349324 175019207 /nfs/dbraw/zinc/01/92/07/175019207.db2.gz UWLXGZIZFQYILQ-OAHLLOKOSA-N 1 0 253.305 2.226 10 30 CEEERO CC[C@H]([NH3+])[C@H](N(CCC#N)C(C)C)C(F)(F)F ZINC000043379006 175030763 /nfs/dbraw/zinc/03/07/63/175030763.db2.gz AMIZFORAGZTVPA-UWVGGRQHSA-N 1 0 251.296 2.279 10 30 CEEERO COc1cc(C#N)ccc1O[C@H]([C@@H](C)[NH3+])C(F)(F)F ZINC000043383401 175031169 /nfs/dbraw/zinc/03/11/69/175031169.db2.gz XRTKAWFLLPSKMS-RDDDGLTNSA-N 1 0 274.242 2.224 10 30 CEEERO [NH3+]CC#Cc1ccc(Cn2ccc(=O)c3ccccc32)s1 ZINC000043684463 175092870 /nfs/dbraw/zinc/09/28/70/175092870.db2.gz PMTMWHXCTMHYPJ-UHFFFAOYSA-N 1 0 294.379 2.422 10 30 CEEERO [NH3+]CC#Cc1ccc(COC[C@@H]2CCCCO2)s1 ZINC000043685050 175093810 /nfs/dbraw/zinc/09/38/10/175093810.db2.gz VPDPBVNJKGBSFI-LBPRGKRZSA-N 1 0 265.378 2.144 10 30 CEEERO CC[N@H+](Cc1cc(C#CCCO)cs1)[C@H](C)COC ZINC000043698777 175097038 /nfs/dbraw/zinc/09/70/38/175097038.db2.gz GYSBXITVLSTYQI-CYBMUJFWSA-N 1 0 281.421 2.339 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732461 175241326 /nfs/dbraw/zinc/24/13/26/175241326.db2.gz QITXLNIKQGXBGU-IAQYHMDHSA-N 1 0 274.364 2.092 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C#N)CCCCCC1 ZINC000044765060 175248463 /nfs/dbraw/zinc/24/84/63/175248463.db2.gz MAYOVERADSZMCF-CQSZACIVSA-N 1 0 277.412 2.451 10 30 CEEERO C[NH+]1CCC(CNC(=O)C2(C#N)CCCCCC2)CC1 ZINC000044767380 175250118 /nfs/dbraw/zinc/25/01/18/175250118.db2.gz MWQMTQCUCWDHFG-UHFFFAOYSA-N 1 0 277.412 2.309 10 30 CEEERO CCCN[C@@](C)(C#N)CN1CCC([NH+]2CCCCC2)CC1 ZINC000045176710 175323655 /nfs/dbraw/zinc/32/36/55/175323655.db2.gz MIOQIKMHKWGGMG-KRWDZBQOSA-N 1 0 292.471 2.219 10 30 CEEERO CCCN[C@@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000045182849 175325492 /nfs/dbraw/zinc/32/54/92/175325492.db2.gz CBJJPKUZHBYUHD-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO C[C@](N)(C#N)CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000045313155 175357327 /nfs/dbraw/zinc/35/73/27/175357327.db2.gz RWWFWEOTBXFCTH-QGZVFWFLSA-N 1 0 292.471 2.348 10 30 CEEERO CC[C@H](C)[N@H+](CCC[C@@](C)(C#N)NC)CCOC ZINC000045317886 175358916 /nfs/dbraw/zinc/35/89/16/175358916.db2.gz GNGHBMIWUNWOPE-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)CC ZINC000045317894 175359308 /nfs/dbraw/zinc/35/93/08/175359308.db2.gz RCCSDCDLBLTZQY-GJZGRUSLSA-N 1 0 269.433 2.405 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(F)cc2C#CC[NH3+])[C@H]1C ZINC000050568526 175517548 /nfs/dbraw/zinc/51/75/48/175517548.db2.gz WWRDVXWZVJPQEI-OLZOCXBDSA-N 1 0 288.366 2.397 10 30 CEEERO [NH3+]CCOc1cccc(NC(=O)C#Cc2ccccc2)c1 ZINC000062839177 175675641 /nfs/dbraw/zinc/67/56/41/175675641.db2.gz YAZOZGIGTBIAPA-UHFFFAOYSA-N 1 0 280.327 2.014 10 30 CEEERO CC(C)[NH2+][C@@H]1CCCN(Cc2cccc(C#N)c2)C1=O ZINC000071041779 176027969 /nfs/dbraw/zinc/02/79/69/176027969.db2.gz MQNRIIVOIUBUCD-OAHLLOKOSA-N 1 0 271.364 2.047 10 30 CEEERO CN(Cc1ccc(C#N)cc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071189107 176064363 /nfs/dbraw/zinc/06/43/63/176064363.db2.gz GNKWPCOOUAQLQC-CYBMUJFWSA-N 1 0 261.344 2.081 10 30 CEEERO C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000071211007 176083092 /nfs/dbraw/zinc/08/30/92/176083092.db2.gz BTZDGBHXJDAJIQ-IAQYHMDHSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1cccc(F)c1)N(CCC#N)CCOC ZINC000071222600 176088139 /nfs/dbraw/zinc/08/81/39/176088139.db2.gz PLIABYCTWBLSBJ-CVEARBPZSA-N 1 0 293.386 2.466 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccccc1F)N(CCC#N)CCOC ZINC000071222483 176088147 /nfs/dbraw/zinc/08/81/47/176088147.db2.gz ZOSVMQKISKMZHB-HOTGVXAUSA-N 1 0 293.386 2.466 10 30 CEEERO N#Cc1cc(F)ccc1CN1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000071264294 176097309 /nfs/dbraw/zinc/09/73/09/176097309.db2.gz BUUAZUJWHCTLSF-GOOCMWNKSA-N 1 0 259.328 2.151 10 30 CEEERO C[C@@H](Cc1cccs1)NC(=O)c1ccccc1C#CC[NH3+] ZINC000071273676 176105693 /nfs/dbraw/zinc/10/56/93/176105693.db2.gz GCJQYCNKJQEVLG-ZDUSSCGKSA-N 1 0 298.411 2.419 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400803 176153215 /nfs/dbraw/zinc/15/32/15/176153215.db2.gz USGFRLHKXHEEDU-DZGCQCFKSA-N 1 0 273.380 2.475 10 30 CEEERO CC[C@@H](CC#N)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071401447 176153695 /nfs/dbraw/zinc/15/36/95/176153695.db2.gz WYIXBXJOAIQPBL-KBPBESRZSA-N 1 0 259.353 2.275 10 30 CEEERO Cc1c2c(ccc1Cl)[C@@H](C#N)N(CC[NH+](C)C)C2=O ZINC000071679706 176244004 /nfs/dbraw/zinc/24/40/04/176244004.db2.gz WDZRRVDDLLYSPB-GFCCVEGCSA-N 1 0 277.755 2.231 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000662630988 415912669 /nfs/dbraw/zinc/91/26/69/415912669.db2.gz OJWXEYGLVFGILC-UKRRQHHQSA-N 1 0 250.386 2.333 10 30 CEEERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000079192498 177442201 /nfs/dbraw/zinc/44/22/01/177442201.db2.gz WDKOEYVGBODHSN-JTQLQIEISA-N 1 0 263.316 2.401 10 30 CEEERO C[C@H]1CCC(=O)N(Cc2cccc(C#CC[NH3+])c2)CC1 ZINC000079247588 177456497 /nfs/dbraw/zinc/45/64/97/177456497.db2.gz VONODBYDWGHYIK-AWEZNQCLSA-N 1 0 270.376 2.145 10 30 CEEERO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000186106341 270248584 /nfs/dbraw/zinc/24/85/84/270248584.db2.gz NSCXDQGMFFIQCP-PBHICJAKSA-N 1 0 285.391 2.026 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1c(C#N)cnc2ccccc21 ZINC000216211061 274399967 /nfs/dbraw/zinc/39/99/67/274399967.db2.gz VYWLAQAHAMUJBS-VXGBXAGGSA-N 1 0 266.348 2.280 10 30 CEEERO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc2ccccc12 ZINC000261702331 274920688 /nfs/dbraw/zinc/92/06/88/274920688.db2.gz OJFDVSHQPMHAED-JSGCOSHPSA-N 1 0 278.359 2.152 10 30 CEEERO C[C@@H](CC[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000311066505 278231088 /nfs/dbraw/zinc/23/10/88/278231088.db2.gz CHBLTWYXMSGQMW-ZETCQYMHSA-N 1 0 258.247 2.121 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2sccc2C#N)C1 ZINC000247483859 280331128 /nfs/dbraw/zinc/33/11/28/280331128.db2.gz WIJXAYHDDOSZQM-CMPLNLGQSA-N 1 0 277.393 2.078 10 30 CEEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000249456349 280398016 /nfs/dbraw/zinc/39/80/16/280398016.db2.gz NSCXDQGMFFIQCP-WMLDXEAASA-N 1 0 285.391 2.026 10 30 CEEERO COc1ccc([C@@H](C)[NH2+]CCOCCC#N)cc1OC ZINC000293819561 327155412 /nfs/dbraw/zinc/15/54/12/327155412.db2.gz OXEKZJRBMRWKBF-GFCCVEGCSA-N 1 0 278.352 2.285 10 30 CEEERO C[NH+]=C(NCc1ccc(Cl)s1)N[C@@H]1C[C@H]1C ZINC000176387114 329174903 /nfs/dbraw/zinc/17/49/03/329174903.db2.gz LTZFGZNOCJMEJW-VXNVDRBHSA-N 1 0 257.790 2.475 10 30 CEEERO CCO[C@@H]1C[C@@H]([NH2+]CCCCC#N)C12CCOCC2 ZINC000186316866 329340580 /nfs/dbraw/zinc/34/05/80/329340580.db2.gz XBPKBUAIUSCLDP-ZIAGYGMSSA-N 1 0 266.385 2.244 10 30 CEEERO CC#CC[N@@H+]1CCC[C@@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190499239 329397820 /nfs/dbraw/zinc/39/78/20/329397820.db2.gz CZIGNZRCNDIEFK-OAHLLOKOSA-N 1 0 294.439 2.138 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCS[C@H](C(C)C)C1 ZINC000261831971 329985840 /nfs/dbraw/zinc/98/58/40/329985840.db2.gz VPJOJGVUBJIVHR-TUAOUCFPSA-N 1 0 255.431 2.044 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CCOC2)cc1Cl ZINC000261985400 329994230 /nfs/dbraw/zinc/99/42/30/329994230.db2.gz JPWGWGGRWYZKDF-VIFPVBQESA-N 1 0 283.759 2.112 10 30 CEEERO [NH2+]=C(NC1CC(c2ccccc2)C1)N1CCSCC1 ZINC000262022970 329998228 /nfs/dbraw/zinc/99/82/28/329998228.db2.gz YMWMCVVFSZMWRQ-UHFFFAOYSA-N 1 0 275.421 2.296 10 30 CEEERO C[NH+]=C(NCC1(O)CCC1)N1CC=C(c2ccccc2)CC1 ZINC000262816500 330033704 /nfs/dbraw/zinc/03/37/04/330033704.db2.gz WXOFIDXSUPRDMS-UHFFFAOYSA-N 1 0 299.418 2.266 10 30 CEEERO CN(C)C(=[NH+]CC1(CO)CC(c2ccccc2)C1)N(C)C ZINC000262868624 330035879 /nfs/dbraw/zinc/03/58/79/330035879.db2.gz UTRPDDWIUYFXQB-UHFFFAOYSA-N 1 0 289.423 2.022 10 30 CEEERO CC/[NH+]=C(/NCc1cn2ccsc2n1)N[C@@H](C)C(C)C ZINC000263117691 330044641 /nfs/dbraw/zinc/04/46/41/330044641.db2.gz GADSOJTXUWVHRT-NSHDSACASA-N 1 0 293.440 2.495 10 30 CEEERO CCOC(=O)C1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000336814036 330849550 /nfs/dbraw/zinc/84/95/50/330849550.db2.gz WESOTCZVKKSBKZ-HHTDUIENSA-N 1 0 264.369 2.390 10 30 CEEERO CC(C)(C)[NH2+]CCN(CCC#N)Cc1cccnc1 ZINC000048784485 518757771 /nfs/dbraw/zinc/75/77/71/518757771.db2.gz AYOALGSMPCPKNF-UHFFFAOYSA-N 1 0 260.385 2.185 10 30 CEEERO CC(C)[NH2+]Cc1nccn1Cc1ccccc1C#N ZINC000051005650 519728921 /nfs/dbraw/zinc/72/89/21/519728921.db2.gz FRCCKOZUKQXVFZ-UHFFFAOYSA-N 1 0 254.337 2.301 10 30 CEEERO CCC[NH2+]Cc1ccc([N+](=O)[O-])c(O[C@H](C)C#N)c1 ZINC000050517052 519954095 /nfs/dbraw/zinc/95/40/95/519954095.db2.gz KVLDZPBCKMKDSL-SNVBAGLBSA-N 1 0 263.297 2.385 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616488 520103487 /nfs/dbraw/zinc/10/34/87/520103487.db2.gz ZSEPJFLSRDIDDK-JYJNAYRXSA-N 1 0 281.444 2.405 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612915 520103944 /nfs/dbraw/zinc/10/39/44/520103944.db2.gz BOAYXUPLRCTWBD-WBVHZDCISA-N 1 0 294.487 2.463 10 30 CEEERO CCN[C@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070124 520225030 /nfs/dbraw/zinc/22/50/30/520225030.db2.gz WUKWMPFDRZWXCX-CVEARBPZSA-N 1 0 280.460 2.074 10 30 CEEERO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068612550 521228879 /nfs/dbraw/zinc/22/88/79/521228879.db2.gz JKQQLLPMXOYCKW-BPUTZDHNSA-N 1 0 279.428 2.300 10 30 CEEERO CCOC1CC[NH+]([C@H](C)C[C@@](C)(C#N)NC2CC2)CC1 ZINC000068612018 521656562 /nfs/dbraw/zinc/65/65/62/521656562.db2.gz WOOQYCVZCIEFAN-CJNGLKHVSA-N 1 0 279.428 2.300 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000061300365 521940516 /nfs/dbraw/zinc/94/05/16/521940516.db2.gz XACFJWXPVXKDKT-UHFFFAOYSA-N 1 0 251.717 2.148 10 30 CEEERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccc(CC#N)cc1 ZINC000054628382 521957168 /nfs/dbraw/zinc/95/71/68/521957168.db2.gz FZBYGDZAKRLGOW-VHRNVKJDSA-N 1 0 255.365 2.472 10 30 CEEERO C[NH2+][C@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436683 522456577 /nfs/dbraw/zinc/45/65/77/522456577.db2.gz JWQFWBDUAMRGHN-SNVBAGLBSA-N 1 0 255.325 2.036 10 30 CEEERO COCC[NH2+]Cc1ccccc1OCCCCC#N ZINC000062729682 523955286 /nfs/dbraw/zinc/95/52/86/523955286.db2.gz QYRXYHIUBPDVMH-UHFFFAOYSA-N 1 0 262.353 2.495 10 30 CEEERO C[C@@H]1CCC[C@@H](C[NH3+])N1Cc1ccc(F)cc1C#N ZINC000070156577 524286001 /nfs/dbraw/zinc/28/60/01/524286001.db2.gz WXCDCCVHQAYQRL-ABAIWWIYSA-N 1 0 261.344 2.399 10 30 CEEERO C[C@H](C[NH+]1CCCCC1)Nc1ccc(N)cc1C#N ZINC000049500928 524336536 /nfs/dbraw/zinc/33/65/36/524336536.db2.gz MPFBZWCJLOLKON-GFCCVEGCSA-N 1 0 258.369 2.427 10 30 CEEERO C[C@H](CNc1ncc([N+](=O)[O-])cc1C#N)[NH+]1CCCCC1 ZINC000050442371 524512058 /nfs/dbraw/zinc/51/20/58/524512058.db2.gz VXQGWSMMOFBUQZ-LLVKDONJSA-N 1 0 289.339 2.148 10 30 CEEERO C[C@H]([NH3+])Cc1ccc(OCC#N)c(Br)c1 ZINC000062704735 524833744 /nfs/dbraw/zinc/83/37/44/524833744.db2.gz VVKNYNSYOPNBHE-QMMMGPOBSA-N 1 0 269.142 2.241 10 30 CEEERO Cc1cc(-n2cnc(C#N)n2)ccc1C[NH2+]CC(C)C ZINC000062739016 526077107 /nfs/dbraw/zinc/07/71/07/526077107.db2.gz VOPZXIXTCRFWLB-UHFFFAOYSA-N 1 0 269.352 2.193 10 30 CEEERO N#CCCN(Cc1ccc[nH+]c1NN)c1ccccc1 ZINC000052724558 526457581 /nfs/dbraw/zinc/45/75/81/526457581.db2.gz PVSBJBSEWQZTJQ-UHFFFAOYSA-N 1 0 267.336 2.287 10 30 CEEERO N#Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000068752711 526549808 /nfs/dbraw/zinc/54/98/08/526549808.db2.gz OBSHORPRZNHASM-UHFFFAOYSA-N 1 0 268.276 2.151 10 30 CEEERO CCC([NH3+])(CC)CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124899087 528956326 /nfs/dbraw/zinc/95/63/26/528956326.db2.gz BCKIEJWUOPHZBF-UHFFFAOYSA-N 1 0 262.313 2.396 10 30 CEEERO N#Cc1ccc(N2CC[C@@H](C[NH3+])C2)cc1C(F)(F)F ZINC000050249482 623373944 /nfs/dbraw/zinc/37/39/44/623373944.db2.gz VOEFQEBQGHUOFP-VIFPVBQESA-N 1 0 269.270 2.362 10 30 CEEERO N#Cc1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)cc1Cl ZINC000261577439 623383541 /nfs/dbraw/zinc/38/35/41/623383541.db2.gz OJGRDVGZKRMEOS-CQSZACIVSA-N 1 0 261.756 2.401 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1c(C#N)nnc2ccccc21 ZINC000229599670 639709583 /nfs/dbraw/zinc/70/95/83/639709583.db2.gz JFTKYGPMOSNSJP-CMPLNLGQSA-N 1 0 267.336 2.054 10 30 CEEERO C#CCC[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000070245651 641650813 /nfs/dbraw/zinc/65/08/13/641650813.db2.gz QGASKFVRMQSUED-UHFFFAOYSA-N 1 0 255.264 2.410 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000229600015 643385497 /nfs/dbraw/zinc/38/54/97/643385497.db2.gz LNKRALAECPPZGC-SKDRFNHKSA-N 1 0 260.297 2.019 10 30 CEEERO C[N+]1(CC(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1 ZINC000005764726 717102012 /nfs/dbraw/zinc/10/20/12/717102012.db2.gz LPINDUHOIODAMF-UHFFFAOYSA-O 1 0 277.432 2.312 10 30 CEEERO C=C[C@H]([NH3+])c1ccccc1I ZINC000095766771 185027365 /nfs/dbraw/zinc/02/73/65/185027365.db2.gz DAKNNJPOUMXWGN-VIFPVBQESA-N 1 0 259.090 2.477 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127877774 187338528 /nfs/dbraw/zinc/33/85/28/187338528.db2.gz HEWINRYRGKCAMN-ZDUSSCGKSA-N 1 0 276.340 2.276 10 30 CEEERO Cc1nc(NC[C@H]([NH3+])C(C)C)c(Cl)cc1C#N ZINC000336718041 365782248 /nfs/dbraw/zinc/78/22/48/365782248.db2.gz QUWSWEJJHSNWJX-NSHDSACASA-N 1 0 252.749 2.310 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)cn1 ZINC000128530831 365794374 /nfs/dbraw/zinc/79/43/74/365794374.db2.gz PZXOCWMOGODJMV-GFCCVEGCSA-N 1 0 272.377 2.343 10 30 CEEERO C#C[C@@H]([NH2+]C)c1ccc(Br)cc1OC ZINC000130136437 344350699 /nfs/dbraw/zinc/35/06/99/344350699.db2.gz UQFFYPXHHYVZAB-SNVBAGLBSA-N 1 0 254.127 2.351 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(C#N)cc1C ZINC000127222097 187290489 /nfs/dbraw/zinc/29/04/89/187290489.db2.gz GHRIZBBYMIUBEO-OAHLLOKOSA-N 1 0 285.391 2.423 10 30 CEEERO CC[C@@H]1CN(c2nc(C)cc(C)c2C#N)CC[C@@H]1[NH3+] ZINC000123046189 344308573 /nfs/dbraw/zinc/30/85/73/344308573.db2.gz CPWMKHOLDRSDKH-OCCSQVGLSA-N 1 0 258.369 2.134 10 30 CEEERO N#Cc1cc(Br)ccc1NCC[NH2+]C1CC1 ZINC000165301347 344474246 /nfs/dbraw/zinc/47/42/46/344474246.db2.gz QWIIXEKDPXAXQD-UHFFFAOYSA-N 1 0 280.169 2.485 10 30 CEEERO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000052759635 362472866 /nfs/dbraw/zinc/47/28/66/362472866.db2.gz PKDZPRVVCAZVKH-OAHLLOKOSA-N 1 0 274.364 2.174 10 30 CEEERO COP(=O)(OC)C([N+]#N)c1ccc([N+](=O)[O-])cc1 ZINC000584602684 344963014 /nfs/dbraw/zinc/96/30/14/344963014.db2.gz SBLNDZGPNZNJDO-UHFFFAOYSA-N 1 0 272.177 2.003 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085370782 179040859 /nfs/dbraw/zinc/04/08/59/179040859.db2.gz UHTIDZCSANKLBH-ZIAGYGMSSA-N 1 0 273.336 2.045 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C[NH2+]1 ZINC000600955018 346716272 /nfs/dbraw/zinc/71/62/72/346716272.db2.gz IGCFCKIQZZGUMQ-BXKDBHETSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CC[C@@H](Nc2c(C#N)cnc3ccccc32)C[NH2+]1 ZINC000600955419 346716895 /nfs/dbraw/zinc/71/68/95/346716895.db2.gz MFJDUVQOUQIGRY-WCQYABFASA-N 1 0 266.348 2.081 10 30 CEEERO C[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H]1C[NH3+] ZINC000600961623 346719721 /nfs/dbraw/zinc/71/97/21/346719721.db2.gz QLILKLLZNRGVKQ-DGCLKSJQSA-N 1 0 266.348 2.137 10 30 CEEERO C[C@H]1C[C@@H]([NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000600962817 346720491 /nfs/dbraw/zinc/72/04/91/346720491.db2.gz NDQFABYJTMSPBU-CMPLNLGQSA-N 1 0 252.321 2.032 10 30 CEEERO N#C[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085987495 179213059 /nfs/dbraw/zinc/21/30/59/179213059.db2.gz MTIXWMYIUDOARA-OAGGEKHMSA-N 1 0 258.365 2.434 10 30 CEEERO COc1ccc([C@@H](C#N)NCC[NH+](C)C)cc1Cl ZINC000086595318 179310802 /nfs/dbraw/zinc/31/08/02/179310802.db2.gz JWODOXRPUMNPJS-GFCCVEGCSA-N 1 0 267.760 2.064 10 30 CEEERO CCC(CC)(CC)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000086647789 179316328 /nfs/dbraw/zinc/31/63/28/179316328.db2.gz DBUNFFPCPDUREE-UHFFFAOYSA-N 1 0 273.380 2.090 10 30 CEEERO CC1(CNc2ccc(C#N)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129443121 187431410 /nfs/dbraw/zinc/43/14/10/187431410.db2.gz MZYUTQKOPQUYDP-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO N#CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089389768 179778868 /nfs/dbraw/zinc/77/88/68/179778868.db2.gz BLFNNEFDRBQPJR-ZFWWWQNUSA-N 1 0 271.364 2.456 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089395041 179779471 /nfs/dbraw/zinc/77/94/71/179779471.db2.gz AOXNPLXCBSJBOO-SWLSCSKDSA-N 1 0 287.363 2.293 10 30 CEEERO CC[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1Cc1ccc(C#N)cc1F ZINC000090333457 179964094 /nfs/dbraw/zinc/96/40/94/179964094.db2.gz BWTPWNVKRJHVJB-IIAWOOMASA-N 1 0 273.355 2.127 10 30 CEEERO N#CCCNC(=O)CSc1cccc(C[NH2+]C2CC2)c1 ZINC000090872325 180049737 /nfs/dbraw/zinc/04/97/37/180049737.db2.gz NPMBMCROQXUOOS-UHFFFAOYSA-N 1 0 289.404 2.061 10 30 CEEERO [NH3+]CC#Cc1cncc(OC[C@@H]2Cc3ccccc32)c1 ZINC000090981051 180078964 /nfs/dbraw/zinc/07/89/64/180078964.db2.gz DIRBNFBTCWVCLN-HNNXBMFYSA-N 1 0 264.328 2.111 10 30 CEEERO CC[C@H]([NH3+])Cc1cccn1Cc1cccnc1C#N ZINC000091005753 180084771 /nfs/dbraw/zinc/08/47/71/180084771.db2.gz REDWWJRSCFYDNQ-ZDUSSCGKSA-N 1 0 254.337 2.083 10 30 CEEERO [NH3+]CC#Cc1cnccc1C(=O)NC1CCCCCCC1 ZINC000091460874 180161599 /nfs/dbraw/zinc/16/15/99/180161599.db2.gz KENABDVWYKWWHL-UHFFFAOYSA-N 1 0 285.391 2.235 10 30 CEEERO C[C@@H](NC(=O)c1ccncc1C#CC[NH3+])C1CCCCC1 ZINC000091462989 180162368 /nfs/dbraw/zinc/16/23/68/180162368.db2.gz IGFHPMBVAOOUSS-CYBMUJFWSA-N 1 0 285.391 2.090 10 30 CEEERO CC[C@@H]1CCCN(C(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091463431 180162554 /nfs/dbraw/zinc/16/25/54/180162554.db2.gz XFRMXAHHTFSUIW-CQSZACIVSA-N 1 0 285.391 2.044 10 30 CEEERO Cc1ncccc1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000091497940 180172956 /nfs/dbraw/zinc/17/29/56/180172956.db2.gz JNKHFCCQEFEBBZ-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO C=C(CC)C[C@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612641 180207368 /nfs/dbraw/zinc/20/73/68/180207368.db2.gz NGKWRLYHVRFGET-LSDHHAIUSA-N 1 0 254.418 2.432 10 30 CEEERO N#Cc1c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)sc2c1CCC2 ZINC000091546442 180186905 /nfs/dbraw/zinc/18/69/05/180186905.db2.gz QZDUOWVJWAUAOA-RKDXNWHRSA-N 1 0 275.377 2.174 10 30 CEEERO C=C[C@@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646332 180215784 /nfs/dbraw/zinc/21/57/84/180215784.db2.gz PPTLGGBLONWJHD-CQSZACIVSA-N 1 0 252.402 2.186 10 30 CEEERO CCc1ccc(C(=O)NCc2cccc(C#CC[NH3+])c2)o1 ZINC000091775639 180251957 /nfs/dbraw/zinc/25/19/57/180251957.db2.gz WCQRWTRJUFBRRK-UHFFFAOYSA-N 1 0 282.343 2.082 10 30 CEEERO C[N@H+](CC1(CC#N)CC1)C1CCC2(CC1)OCCO2 ZINC000091853677 180273388 /nfs/dbraw/zinc/27/33/88/180273388.db2.gz AIGSINUJAXXJJJ-UHFFFAOYSA-N 1 0 264.369 2.298 10 30 CEEERO CCN(CC)C(=O)Nc1cc(C#CC[NH3+])ccc1C ZINC000091962367 180293104 /nfs/dbraw/zinc/29/31/04/180293104.db2.gz KVNWKARRDFRYHL-UHFFFAOYSA-N 1 0 259.353 2.179 10 30 CEEERO CCN(CC)C(=O)Nc1ccc(C)c(C#CC[NH3+])c1 ZINC000091962399 180293410 /nfs/dbraw/zinc/29/34/10/180293410.db2.gz GRPHKPVXXWTBHH-UHFFFAOYSA-N 1 0 259.353 2.179 10 30 CEEERO N#C[C@]1([C@@]2(O)CC[N@@H+](C3CC3)C2)CCc2ccccc2C1 ZINC000091878825 180279039 /nfs/dbraw/zinc/27/90/39/180279039.db2.gz YONZAWPXLAJEAR-ZWKOTPCHSA-N 1 0 282.387 2.284 10 30 CEEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)N1CCCCC1 ZINC000091969684 180295117 /nfs/dbraw/zinc/29/51/17/180295117.db2.gz MZEDVKYJAAQVKQ-UHFFFAOYSA-N 1 0 285.391 2.035 10 30 CEEERO CN(Cc1cccc(C#CC[NH3+])c1)C(=O)N1CCCCC1 ZINC000091969685 180295152 /nfs/dbraw/zinc/29/51/52/180295152.db2.gz UZKWZRVLBWVCML-UHFFFAOYSA-N 1 0 285.391 2.035 10 30 CEEERO C[C@H](NC(=O)N1CCCCC1)c1ccc(C#CC[NH3+])cc1 ZINC000091969682 180295204 /nfs/dbraw/zinc/29/52/04/180295204.db2.gz KMFZUAIZHAAAFG-AWEZNQCLSA-N 1 0 285.391 2.253 10 30 CEEERO C[C@H]1CCCN(C(=O)Nc2ccccc2C#CC[NH3+])C1 ZINC000091992398 180300452 /nfs/dbraw/zinc/30/04/52/180300452.db2.gz HWHFMHNSPLAKBB-ZDUSSCGKSA-N 1 0 271.364 2.261 10 30 CEEERO C=C(C)[C@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000092128197 180329167 /nfs/dbraw/zinc/32/91/67/180329167.db2.gz NIKLZNHRGOQKAM-LSDHHAIUSA-N 1 0 254.418 2.432 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000092133215 180330709 /nfs/dbraw/zinc/33/07/09/180330709.db2.gz WIOPZEYAOUOKOW-QMMMGPOBSA-N 1 0 285.269 2.371 10 30 CEEERO C[C@H]1C[NH+](CCOc2cccc(C#CCCO)c2)C[C@@H]1C ZINC000092087044 180321538 /nfs/dbraw/zinc/32/15/38/180321538.db2.gz ZVLICDNHXVSLHP-HOTGVXAUSA-N 1 0 287.403 2.387 10 30 CEEERO Cc1cc(NC(=O)c2ccc(C#CC[NH3+])cc2F)ccn1 ZINC000092365936 180369261 /nfs/dbraw/zinc/36/92/61/180369261.db2.gz DRHFVWCYFDBKKB-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)Cc1cccc(Br)c1 ZINC000092475145 180393743 /nfs/dbraw/zinc/39/37/43/180393743.db2.gz XPXFGYABBFJONA-UHFFFAOYSA-N 1 0 297.196 2.183 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccc(OCC)cc1 ZINC000092474296 180393879 /nfs/dbraw/zinc/39/38/79/180393879.db2.gz PSBISGRWVPLXJG-GFCCVEGCSA-N 1 0 262.353 2.038 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000092476114 180394000 /nfs/dbraw/zinc/39/40/00/180394000.db2.gz NVHZMTDNCMFAPV-CYBMUJFWSA-N 1 0 252.402 2.437 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@H](C)c1ccc(C)s1 ZINC000092474987 180394004 /nfs/dbraw/zinc/39/40/04/180394004.db2.gz REYMLXRZKYAQNS-LLVKDONJSA-N 1 0 252.383 2.352 10 30 CEEERO CC[C@H](C#N)N1CC[NH+](CCc2ccccc2)CC1 ZINC000109455129 186253512 /nfs/dbraw/zinc/25/35/12/186253512.db2.gz ZJQCAUJPNGVEPU-MRXNPFEDSA-N 1 0 257.381 2.149 10 30 CEEERO CN(c1c(C#N)cnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000110932341 186333339 /nfs/dbraw/zinc/33/33/39/186333339.db2.gz NALBCNGVMQUNBB-CYBMUJFWSA-N 1 0 266.348 2.295 10 30 CEEERO CCN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000110947350 186335465 /nfs/dbraw/zinc/33/54/65/186335465.db2.gz MUGRELLXQJHHKB-CYBMUJFWSA-N 1 0 274.324 2.045 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1cc(C)ccc1[C@H](C)[NH2+]CC ZINC000110960458 186336245 /nfs/dbraw/zinc/33/62/45/186336245.db2.gz GYBBTSZLXKVBPJ-KBPBESRZSA-N 1 0 288.391 2.182 10 30 CEEERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCC(=O)NCCC#N ZINC000110961211 186338123 /nfs/dbraw/zinc/33/81/23/186338123.db2.gz MYVCKNLDRFSPDL-ZDUSSCGKSA-N 1 0 289.379 2.074 10 30 CEEERO CC[C@H]1CN(Cc2sccc2C#CCCO)CC[N@@H+]1C ZINC000110734663 186317589 /nfs/dbraw/zinc/31/75/89/186317589.db2.gz WQGZFHYEQWXWKQ-HNNXBMFYSA-N 1 0 292.448 2.008 10 30 CEEERO [NH3+]CC#Cc1ccccc1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000111102453 186352964 /nfs/dbraw/zinc/35/29/64/186352964.db2.gz DHFGHWXWOJSLOY-IMJJTQAJSA-N 1 0 282.387 2.163 10 30 CEEERO CCCOCCOCc1ccc(C#CC[NH3+])s1 ZINC000111109679 186353399 /nfs/dbraw/zinc/35/33/99/186353399.db2.gz FJORGHQRNNXWTA-UHFFFAOYSA-N 1 0 253.367 2.002 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](CC)CCOCC ZINC000111121571 186355757 /nfs/dbraw/zinc/35/57/57/186355757.db2.gz OQRYWEYBCYOVNK-AWEZNQCLSA-N 1 0 255.406 2.017 10 30 CEEERO C#CCn1c(N)c([C@H]2CCCOC2)[nH+]c1C(C)(C)C ZINC000111318628 186396107 /nfs/dbraw/zinc/39/61/07/186396107.db2.gz JRXMAAORMCDPCN-NSHDSACASA-N 1 0 261.369 2.290 10 30 CEEERO CC(C)(C)[NH2+]CCCc1nnc(-c2ccc(C#N)cn2)o1 ZINC000111284398 186389252 /nfs/dbraw/zinc/38/92/52/186389252.db2.gz KXENUDXCJBXCNC-UHFFFAOYSA-N 1 0 285.351 2.324 10 30 CEEERO CC(C)C[NH2+]C[C@H]1CCCN(Cc2cccnc2C#N)C1 ZINC000111700721 186446438 /nfs/dbraw/zinc/44/64/38/186446438.db2.gz GUZZAEGVNWJCDP-OAHLLOKOSA-N 1 0 286.423 2.411 10 30 CEEERO C[C@H]1C[C@H]1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000111767976 186454680 /nfs/dbraw/zinc/45/46/80/186454680.db2.gz OQPPZLHJYZOPCE-JSGCOSHPSA-N 1 0 271.364 2.475 10 30 CEEERO CCc1[nH+]c(-c2ccc(OC)c(C#N)c2)c(N)n1C ZINC000115001778 186653172 /nfs/dbraw/zinc/65/31/72/186653172.db2.gz UNIOPTUHQPHOPL-UHFFFAOYSA-N 1 0 256.309 2.112 10 30 CEEERO N#Cc1c(Br)cccc1N1CCC([NH3+])CC1 ZINC000161814468 283072239 /nfs/dbraw/zinc/07/22/39/283072239.db2.gz MUHJQDILUOSZAP-UHFFFAOYSA-N 1 0 280.169 2.248 10 30 CEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2C[NH2+]C[C@@H](C=O)C2)C1 ZINC000675059406 540079422 /nfs/dbraw/zinc/07/94/22/540079422.db2.gz HKXCEQURFMXABB-MELADBBJSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1cc(F)c(N2CCC(C[NH3+])CC2)c(F)c1 ZINC000133667826 366244948 /nfs/dbraw/zinc/24/49/48/366244948.db2.gz AZUQWFBPVFVQTQ-UHFFFAOYSA-N 1 0 251.280 2.012 10 30 CEEERO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c(C#N)c(C)n1 ZINC000135064814 366392628 /nfs/dbraw/zinc/39/26/28/366392628.db2.gz JPKVHENVXGKBRG-CYBMUJFWSA-N 1 0 258.369 2.324 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000177116882 189029991 /nfs/dbraw/zinc/02/99/91/189029991.db2.gz HHWDDTPNVMXVIA-CHWSQXEVSA-N 1 0 289.404 2.319 10 30 CEEERO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000111830480 364762933 /nfs/dbraw/zinc/76/29/33/364762933.db2.gz IDQAAZACRKZZLD-NSHDSACASA-N 1 0 262.313 2.252 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000638873535 370811922 /nfs/dbraw/zinc/81/19/22/370811922.db2.gz BKGDTHGPGPCNHI-STQMWFEESA-N 1 0 252.402 2.470 10 30 CEEERO CC[C@H]1C[N@H+](CC(C)(C)CCC#N)CCN1C[C@H](C)O ZINC000245702697 370860423 /nfs/dbraw/zinc/86/04/23/370860423.db2.gz DKCQCPRTSKFHKT-GJZGRUSLSA-N 1 0 281.444 2.093 10 30 CEEERO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)cc1Cl ZINC000162790447 367190951 /nfs/dbraw/zinc/19/09/51/367190951.db2.gz CTINHPCUWBQUQP-NOZJJQNGSA-N 1 0 250.729 2.479 10 30 CEEERO C#CCCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000245581694 370844751 /nfs/dbraw/zinc/84/47/51/370844751.db2.gz HTIQCGPAJMWKTO-CABCVRRESA-N 1 0 262.397 2.265 10 30 CEEERO N#Cc1ccc(OCc2ccc(C(N)=[NH2+])cc2)cc1 ZINC000169321604 367368755 /nfs/dbraw/zinc/36/87/55/367368755.db2.gz NZJCGBUNLXWCFF-UHFFFAOYSA-N 1 0 251.289 2.421 10 30 CEEERO C=CCOc1ccccc1C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867351 367435785 /nfs/dbraw/zinc/43/57/85/367435785.db2.gz LVKZDQUDQUDLTE-CYBMUJFWSA-N 1 0 274.364 2.028 10 30 CEEERO C=CCC[C@H](O)C[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000246013462 370899451 /nfs/dbraw/zinc/89/94/51/370899451.db2.gz LRSIFOGFCIDANW-AJNGGQMLSA-N 1 0 281.396 2.120 10 30 CEEERO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)C12CCOCC2 ZINC000185659114 368838624 /nfs/dbraw/zinc/83/86/24/368838624.db2.gz BWWSSHSRLUBSAL-LSDHHAIUSA-N 1 0 290.363 2.215 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(Br)cc1C#N ZINC000229255477 189797252 /nfs/dbraw/zinc/79/72/52/189797252.db2.gz VGBXAPKNDKVIEK-UWVGGRQHSA-N 1 0 294.196 2.494 10 30 CEEERO CCCCOC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000193371062 369934142 /nfs/dbraw/zinc/93/41/42/369934142.db2.gz KJRBGUFAICBEPY-INIZCTEOSA-N 1 0 276.380 2.168 10 30 CEEERO Cc1cc(C#N)ccc1CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000229150993 370420781 /nfs/dbraw/zinc/42/07/81/370420781.db2.gz RDMJITSIBWJEDJ-BBRMVZONSA-N 1 0 257.381 2.249 10 30 CEEERO C[C@@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)C[NH+]1CCCC1 ZINC000235164564 370557671 /nfs/dbraw/zinc/55/76/71/370557671.db2.gz YHZOOFFCEWWFHN-NSHDSACASA-N 1 0 289.339 2.005 10 30 CEEERO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1C[NH3+] ZINC000252703833 371470755 /nfs/dbraw/zinc/47/07/55/371470755.db2.gz LFUBINVYFAVYBV-YGRLFVJLSA-N 1 0 274.324 2.030 10 30 CEEERO CC(=O)c1ccc(C#N)cc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252766335 371477088 /nfs/dbraw/zinc/47/70/88/371477088.db2.gz QFDZSYGQQQBGCJ-AWEZNQCLSA-N 1 0 269.348 2.045 10 30 CEEERO COCc1cc(C)nc2sc(C(C)=NN)c(N)c21 ZINC000254569270 371537675 /nfs/dbraw/zinc/53/76/75/371537675.db2.gz QAQCUDYYNHADLF-UHFFFAOYSA-N 1 0 264.354 2.016 10 30 CEEERO Cc1nc(NCc2ccc3c(c2)C[NH2+]C3)ccc1C#N ZINC000261820887 371741471 /nfs/dbraw/zinc/74/14/71/371741471.db2.gz UACOGIQJXJGGFL-UHFFFAOYSA-N 1 0 264.332 2.477 10 30 CEEERO C#CCNC(=O)CNc1c(C)c[nH+]c2c(C)cccc12 ZINC000302754406 379447844 /nfs/dbraw/zinc/44/78/44/379447844.db2.gz VMAIOKSPRGBQFE-UHFFFAOYSA-N 1 0 267.332 2.013 10 30 CEEERO N#Cc1cccc(NC(=O)OCC2CC[NH2+]CC2)c1 ZINC000092742690 184624290 /nfs/dbraw/zinc/62/42/90/184624290.db2.gz MJDPBGZSBGCHGN-UHFFFAOYSA-N 1 0 259.309 2.106 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@]1(C)c1cccc(Br)c1 ZINC000093375255 184668353 /nfs/dbraw/zinc/66/83/53/184668353.db2.gz CSFLKUBNCSCHCE-ZDUSSCGKSA-N 1 0 294.196 2.481 10 30 CEEERO C#CC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000093461929 184678318 /nfs/dbraw/zinc/67/83/18/184678318.db2.gz NBYYDTJUPNEGIS-QWHCGFSZSA-N 1 0 266.385 2.387 10 30 CEEERO CN[C@]1(C#N)CC[C@H]([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000093803566 184723700 /nfs/dbraw/zinc/72/37/00/184723700.db2.gz RYUXDYQRDVDSLA-NWDGAFQWSA-N 1 0 275.318 2.295 10 30 CEEERO CSC1(C#N)CC[NH+]([C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000094375705 184791217 /nfs/dbraw/zinc/79/12/17/184791217.db2.gz NUKNKHVIACSNKC-KBPBESRZSA-N 1 0 296.436 2.046 10 30 CEEERO Cc1cc(C(=O)N(C)C[C@@H]2C[C@H]2C)sc1C#CC[NH3+] ZINC000094536846 184814221 /nfs/dbraw/zinc/81/42/21/184814221.db2.gz SDEOZFYWXDDMSF-PWSUYJOCSA-N 1 0 276.405 2.095 10 30 CEEERO N#Cc1nccn1[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000094936699 184896719 /nfs/dbraw/zinc/89/67/19/184896719.db2.gz CGEOGEOVXODBSR-NSHDSACASA-N 1 0 291.152 2.065 10 30 CEEERO C[C@H]1CCCN(c2c(C#N)nnc3ccccc32)[C@@H]1C[NH3+] ZINC000085921053 135038826 /nfs/dbraw/zinc/03/88/26/135038826.db2.gz JJLAQHUIFMWQNE-XHDPSFHLSA-N 1 0 281.363 2.065 10 30 CEEERO CC[N@@H+]1CCCN(c2cc(C)nc(C)c2C#N)CC1 ZINC000301682325 394463835 /nfs/dbraw/zinc/46/38/35/394463835.db2.gz SJKNXXPJOYNPBP-UHFFFAOYSA-N 1 0 258.369 2.102 10 30 CEEERO COC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1Br ZINC000309650431 394531991 /nfs/dbraw/zinc/53/19/91/394531991.db2.gz NVOGVZLWPQXUQI-SECBINFHSA-N 1 0 283.169 2.445 10 30 CEEERO N#Cc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)ccc1F ZINC000398994657 395241081 /nfs/dbraw/zinc/24/10/81/395241081.db2.gz JMVBESIQRNBQRL-QEJZJMRPSA-N 1 0 274.339 2.290 10 30 CEEERO C(#Cc1ccccc1)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000191998023 395369569 /nfs/dbraw/zinc/36/95/69/395369569.db2.gz QEHOCNUHMNZEPQ-UHFFFAOYSA-N 1 0 292.386 2.040 10 30 CEEERO C[C@@H]([NH2+][C@H](C)c1cccs1)C(=O)N(C)CCC#N ZINC000192941275 395396691 /nfs/dbraw/zinc/39/66/91/395396691.db2.gz NSHXQAVCIRUDOV-GHMZBOCLSA-N 1 0 265.382 2.159 10 30 CEEERO C#CC[NH+]1CCC(Nc2ccc(F)c(F)c2)CC1 ZINC000037201728 173025079 /nfs/dbraw/zinc/02/50/79/173025079.db2.gz RTJOTIHCKQNIOX-UHFFFAOYSA-N 1 0 250.292 2.474 10 30 CEEERO C#CC[NH+]1CCC(Nc2cc(F)cc(F)c2)CC1 ZINC000037214259 173034726 /nfs/dbraw/zinc/03/47/26/173034726.db2.gz AIBKRLRIZSYFRF-UHFFFAOYSA-N 1 0 250.292 2.474 10 30 CEEERO Cc1ccc(C(=O)Nc2ncc(C#CC[NH3+])s2)cc1 ZINC000037550686 173269006 /nfs/dbraw/zinc/26/90/06/173269006.db2.gz PPJWKTOKSTUUNX-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO C=CCN(C(=O)C1CCC([NH3+])CC1)C1CCCC1 ZINC000037817700 173768059 /nfs/dbraw/zinc/76/80/59/173768059.db2.gz GODZDJGLSPYYFS-UHFFFAOYSA-N 1 0 250.386 2.461 10 30 CEEERO CSc1ccc([C@@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940368 173879695 /nfs/dbraw/zinc/87/96/95/173879695.db2.gz GHVDERBMGPNLAQ-CQSZACIVSA-N 1 0 261.394 2.268 10 30 CEEERO CCN1CCC[C@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000040502749 174299269 /nfs/dbraw/zinc/29/92/69/174299269.db2.gz KXOSWWHHPXYGTN-HNNXBMFYSA-N 1 0 273.380 2.163 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746388 174391659 /nfs/dbraw/zinc/39/16/59/174391659.db2.gz NARREILKKWDQEZ-FOSCPWQOSA-N 1 0 272.308 2.161 10 30 CEEERO CCN(c1cc(C#N)ccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748722 174393823 /nfs/dbraw/zinc/39/38/23/174393823.db2.gz KHAUAHRRKGTHPL-PBWFPOADSA-N 1 0 256.353 2.063 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355536 175022924 /nfs/dbraw/zinc/02/29/24/175022924.db2.gz HWUDESUTSNYPDX-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](C[NH3+])c1ccncc1 ZINC000043355163 175023184 /nfs/dbraw/zinc/02/31/84/175023184.db2.gz OXYHRHWGDBDDLD-HNNXBMFYSA-N 1 0 269.304 2.041 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](c1ccncc1)[C@@H](C)[NH3+] ZINC000043355166 175023192 /nfs/dbraw/zinc/02/31/92/175023192.db2.gz ICEADWUNOZIHMB-BZNIZROVSA-N 1 0 283.331 2.429 10 30 CEEERO CN(Cc1ccoc1)Cc1sccc1C#CC[NH3+] ZINC000043683928 175092286 /nfs/dbraw/zinc/09/22/86/175092286.db2.gz BOOASOJHTYGALW-UHFFFAOYSA-N 1 0 260.362 2.283 10 30 CEEERO CN(Cc1cc(C#CC[NH3+])cs1)CC(F)(F)F ZINC000043688945 175096069 /nfs/dbraw/zinc/09/60/69/175096069.db2.gz IKZNQYBPYATWFJ-UHFFFAOYSA-N 1 0 262.300 2.052 10 30 CEEERO CCCO[C@@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043698662 175096965 /nfs/dbraw/zinc/09/69/65/175096965.db2.gz RHZBOIWEKKQEAB-OAHLLOKOSA-N 1 0 293.432 2.483 10 30 CEEERO Cc1c(C)n(C[C@H]2CC[N@@H+](C(C)C)C2)c(N)c1C#N ZINC000045136381 175313959 /nfs/dbraw/zinc/31/39/59/175313959.db2.gz CAICLJXCOCBJOK-ZDUSSCGKSA-N 1 0 260.385 2.289 10 30 CEEERO CCCN[C@@](C)(C#N)CCN(C)C1CC[NH+](CC)CC1 ZINC000045182543 175325923 /nfs/dbraw/zinc/32/59/23/175325923.db2.gz OMYSXATYXWCTLZ-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[N@H+](C)CCOC ZINC000045319033 175358799 /nfs/dbraw/zinc/35/87/99/175358799.db2.gz HOPNVLASZWVOSS-CQSZACIVSA-N 1 0 255.406 2.017 10 30 CEEERO CN[C@@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318480 175359167 /nfs/dbraw/zinc/35/91/67/175359167.db2.gz KPWZUWRAORTIAL-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(C#CCO)cc2)C1 ZINC000049616627 175494384 /nfs/dbraw/zinc/49/43/84/175494384.db2.gz ZPTCWGLIGUCQNT-HZPDHXFCSA-N 1 0 287.403 2.387 10 30 CEEERO C[C@@H](C[NH2+]C1CC1)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000070512118 175961091 /nfs/dbraw/zinc/96/10/91/175961091.db2.gz BYVUZLCEONFXTN-JTQLQIEISA-N 1 0 275.308 2.233 10 30 CEEERO C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000071211006 176083199 /nfs/dbraw/zinc/08/31/99/176083199.db2.gz BTZDGBHXJDAJIQ-NHYWBVRUSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1cccs1)N(CCC#N)CCOC ZINC000071222514 176088041 /nfs/dbraw/zinc/08/80/41/176088041.db2.gz GCXPFHYODXMGDR-OCCSQVGLSA-N 1 0 281.425 2.389 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccc(C)o1)N(CCC#N)CCOC ZINC000071222688 176088128 /nfs/dbraw/zinc/08/81/28/176088128.db2.gz LSHFVUMDHZARJR-UKRRQHHQSA-N 1 0 279.384 2.229 10 30 CEEERO COCCN(CCC#N)[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000071222454 176088165 /nfs/dbraw/zinc/08/81/65/176088165.db2.gz VZJDUIVYIYFJKD-IUODEOHRSA-N 1 0 279.359 2.076 10 30 CEEERO COCCN(CCC#N)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000071225935 176089470 /nfs/dbraw/zinc/08/94/70/176089470.db2.gz UTHLAONVIKCFMJ-LLVKDONJSA-N 1 0 265.332 2.212 10 30 CEEERO N#Cc1cc(F)ccc1CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000071264337 176097561 /nfs/dbraw/zinc/09/75/61/176097561.db2.gz HHYISOSAKOYKEE-HOTGVXAUSA-N 1 0 273.355 2.414 10 30 CEEERO CCCn1c(C[NH3+])nnc1SCc1ccccc1C#N ZINC000071375108 176140514 /nfs/dbraw/zinc/14/05/14/176140514.db2.gz UJSBIZNOUMOJBP-UHFFFAOYSA-N 1 0 287.392 2.311 10 30 CEEERO C[C@@H](C#N)CN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400818 176153198 /nfs/dbraw/zinc/15/31/98/176153198.db2.gz RRTOPKBMFSRWGG-JSGCOSHPSA-N 1 0 259.353 2.085 10 30 CEEERO CNC(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)=[NH+]C ZINC000119928177 263280136 /nfs/dbraw/zinc/28/01/36/263280136.db2.gz QIBFUZVZXFBIBP-OIBJUYFYSA-N 1 0 255.724 2.130 10 30 CEEERO CC[NH2+][C@H](C)CNc1nc(C)c(C#N)cc1Cl ZINC000395725352 266170768 /nfs/dbraw/zinc/17/07/68/266170768.db2.gz LGMGHBVYDFQFQP-MRVPVSSYSA-N 1 0 252.749 2.325 10 30 CEEERO Cc1nc(N2C[C@@H](C)[NH2+]C[C@H]2C)c(Cl)cc1C#N ZINC000261566563 274842894 /nfs/dbraw/zinc/84/28/94/274842894.db2.gz IHQJBVTVJSLTOG-RKDXNWHRSA-N 1 0 264.760 2.102 10 30 CEEERO N#Cc1ccc(CNC(=[NH2+])NC2CCCCC2)s1 ZINC000263048291 268051049 /nfs/dbraw/zinc/05/10/49/268051049.db2.gz DEGQBSVXGGWNKY-UHFFFAOYSA-N 1 0 262.382 2.357 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000132430672 274240802 /nfs/dbraw/zinc/24/08/02/274240802.db2.gz SXPTYBHWNNWUNH-YPMHNXCESA-N 1 0 270.380 2.006 10 30 CEEERO Cc1nc(N2CC[C@H](C)C[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261572216 274842303 /nfs/dbraw/zinc/84/23/03/274842303.db2.gz AEDMWMGWBKDQJW-CABZTGNLSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000118895290 274925785 /nfs/dbraw/zinc/92/57/85/274925785.db2.gz YRJVQIWEIFPUJN-QWRGUYRKSA-N 1 0 260.297 2.148 10 30 CEEERO C[C@H](CNC(=O)c1ncoc1[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000329487928 279241464 /nfs/dbraw/zinc/24/14/64/279241464.db2.gz XZWRPWGDXIFMJP-ZYHUDNBSSA-N 1 0 293.367 2.313 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)s1 ZINC000188398756 280138665 /nfs/dbraw/zinc/13/86/65/280138665.db2.gz LVSLEDZVGCWQLP-LBPRGKRZSA-N 1 0 272.377 2.481 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C#N)cs1 ZINC000245737088 280259031 /nfs/dbraw/zinc/25/90/31/280259031.db2.gz LATLCJBVGHPXJS-YPMHNXCESA-N 1 0 261.394 2.288 10 30 CEEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000061892455 294822182 /nfs/dbraw/zinc/82/21/82/294822182.db2.gz DCEXZSUFMDOMPX-CMPLNLGQSA-N 1 0 275.318 2.295 10 30 CEEERO N#Cc1cc2c(nc1N[C@@H](CC[NH3+])C(F)F)CCCC2 ZINC000383309745 321846702 /nfs/dbraw/zinc/84/67/02/321846702.db2.gz PMJHPOFTXIKIPH-LBPRGKRZSA-N 1 0 280.322 2.226 10 30 CEEERO C=CCN(CC=C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000040458787 327104229 /nfs/dbraw/zinc/10/42/29/327104229.db2.gz PSLUIMKDIJZTJJ-HNNXBMFYSA-N 1 0 283.375 2.238 10 30 CEEERO Cc1nc(C[C@@H]2CCC[N@H+](CCCSCC#N)C2)no1 ZINC000173881955 329153214 /nfs/dbraw/zinc/15/32/14/329153214.db2.gz LYPYYAZXTLFWPR-ZDUSSCGKSA-N 1 0 294.424 2.279 10 30 CEEERO C=CCCOCC[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000186434586 329342505 /nfs/dbraw/zinc/34/25/05/329342505.db2.gz AKIOEOSJPWLXIH-CABCVRRESA-N 1 0 283.412 2.143 10 30 CEEERO C[NH+]=C(NC[C@]1(C)CCCS1)N[C@H]1CC1(C)C ZINC000261987938 329994543 /nfs/dbraw/zinc/99/45/43/329994543.db2.gz QOKZWOWHELKIIP-GWCFXTLKSA-N 1 0 255.431 2.236 10 30 CEEERO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C)cc1Cl ZINC000262022061 329998310 /nfs/dbraw/zinc/99/83/10/329998310.db2.gz YFQQUWWLPBFDLE-GMSGAONNSA-N 1 0 253.733 2.484 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@@H]1[NH+]=C(N(C)C)N(C)C ZINC000262530012 330019681 /nfs/dbraw/zinc/01/96/81/330019681.db2.gz NDBNBMFEFZMQAK-HOCLYGCPSA-N 1 0 275.396 2.204 10 30 CEEERO CN(C)C(=[NH+]CC(C)(C)Oc1ccccc1)N(C)C ZINC000262550176 330020737 /nfs/dbraw/zinc/02/07/37/330020737.db2.gz XRRJAZNQRHTVAL-UHFFFAOYSA-N 1 0 263.385 2.323 10 30 CEEERO CC(C)(C)NC(=[NH2+])NCC1(C(F)(F)F)CCC1 ZINC000262645437 330024315 /nfs/dbraw/zinc/02/43/15/330024315.db2.gz IYYWVWOBLKHUSX-UHFFFAOYSA-N 1 0 251.296 2.422 10 30 CEEERO CN1CC[NH+]=C1NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000262668904 330025713 /nfs/dbraw/zinc/02/57/13/330025713.db2.gz QCKCZDDEZQTEFH-ZJUUUORDSA-N 1 0 263.307 2.246 10 30 CEEERO COc1ccc(Cl)cc1[C@@H](O)CNC(=[NH2+])NC(C)(C)C ZINC000263092583 330043065 /nfs/dbraw/zinc/04/30/65/330043065.db2.gz JBEFQGKEOINRTI-NSHDSACASA-N 1 0 299.802 2.085 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000424058927 330218577 /nfs/dbraw/zinc/21/85/77/330218577.db2.gz AEHYHRZLBMLSDM-ILDUYXDCSA-N 1 0 291.317 2.245 10 30 CEEERO C#CCOc1ccc(Cl)cc1C[NH2+][C@@H](CC)CO ZINC000045945670 330350027 /nfs/dbraw/zinc/35/00/27/330350027.db2.gz UJVXVMDNQNQRKJ-ZDUSSCGKSA-N 1 0 267.756 2.213 10 30 CEEERO CC(C)[NH2+]CCNc1nc2c(cc1C#N)CCCC2 ZINC000054267597 519721900 /nfs/dbraw/zinc/72/19/00/519721900.db2.gz UBJNCSFJPGEAEB-UHFFFAOYSA-N 1 0 258.369 2.242 10 30 CEEERO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccnc(C#N)c1 ZINC000068754032 519776073 /nfs/dbraw/zinc/77/60/73/519776073.db2.gz NBXZISANLXORGS-HNNXBMFYSA-N 1 0 260.385 2.019 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](CCOC)[C@@H](C)COC ZINC000068613289 520031696 /nfs/dbraw/zinc/03/16/96/520031696.db2.gz QWVXOKSVWKAHNY-OWCLPIDISA-N 1 0 299.459 2.030 10 30 CEEERO CC[N@H+](CCOC)CCOc1ccc(CC#N)cc1 ZINC000049011501 521135551 /nfs/dbraw/zinc/13/55/51/521135551.db2.gz JGHMPTAPWKLDTA-UHFFFAOYSA-N 1 0 262.353 2.100 10 30 CEEERO C[C@@H]1CN(c2c(C#N)cnc3ccccc32)[C@@H](C)C[NH2+]1 ZINC000086471133 518180194 /nfs/dbraw/zinc/18/01/94/518180194.db2.gz CRBZUYPIVLAKMK-NEPJUHHUSA-N 1 0 266.348 2.293 10 30 CEEERO CC(C)C[NH+]1CCN([C@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068615138 519728110 /nfs/dbraw/zinc/72/81/10/519728110.db2.gz ATQFAWFTAOSBEJ-SJORKVTESA-N 1 0 294.487 2.319 10 30 CEEERO CC(C)[NH2+]Cc1nccn1Cc1cc(C#N)ccc1F ZINC000051014754 519729086 /nfs/dbraw/zinc/72/90/86/519729086.db2.gz ASALSFAKVFXBIV-UHFFFAOYSA-N 1 0 272.327 2.440 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616205 519739361 /nfs/dbraw/zinc/73/93/61/519739361.db2.gz GMFFVRIQBIIYPX-HOTGVXAUSA-N 1 0 280.460 2.073 10 30 CEEERO CC(C)C[C@@H](C[NH+](C)C)NCc1cccnc1C#N ZINC000061658397 519776113 /nfs/dbraw/zinc/77/61/13/519776113.db2.gz ZHKRSXNPOLSCJU-AWEZNQCLSA-N 1 0 260.385 2.019 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000156800145 519817752 /nfs/dbraw/zinc/81/77/52/519817752.db2.gz WUBGPRCQVLTYNT-CYBMUJFWSA-N 1 0 276.340 2.276 10 30 CEEERO CCCN(CC[NH+](C)C)[C@@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068613876 521657749 /nfs/dbraw/zinc/65/77/49/521657749.db2.gz CJSRNQBATOLXFF-HOCLYGCPSA-N 1 0 280.460 2.073 10 30 CEEERO CCC1(C(=O)Nc2ccc(CC#N)cc2)CC[NH2+]CC1 ZINC000062848676 521671647 /nfs/dbraw/zinc/67/16/47/521671647.db2.gz GHNSFLUOGRCCCF-UHFFFAOYSA-N 1 0 271.364 2.471 10 30 CEEERO C[NH2+]Cc1ccc([N+](=O)[O-])c(OCCCCC#N)c1 ZINC000050516628 522124626 /nfs/dbraw/zinc/12/46/26/522124626.db2.gz JBPVGZXMLDELEI-UHFFFAOYSA-N 1 0 263.297 2.387 10 30 CEEERO COc1cc(CC[NH3+])cc(OC)c1OCCCCC#N ZINC000049579006 522326325 /nfs/dbraw/zinc/32/63/25/522326325.db2.gz RSFBZOFDUQJMHD-UHFFFAOYSA-N 1 0 278.352 2.278 10 30 CEEERO CC[C@H]1CCC[C@@H](NC(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000068594065 523120673 /nfs/dbraw/zinc/12/06/73/523120673.db2.gz FWUUZCZJJDKMDO-XJKSGUPXSA-N 1 0 285.391 2.090 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)CCC(C)(C)[NH3+] ZINC000070087567 523293505 /nfs/dbraw/zinc/29/35/05/523293505.db2.gz WXIJXGHWYDZLIM-UHFFFAOYSA-N 1 0 259.353 2.034 10 30 CEEERO COCC[NH2+]Cc1ccc(OCCCC#N)c(OC)c1 ZINC000062731949 523953643 /nfs/dbraw/zinc/95/36/43/523953643.db2.gz HXILXLZKCIOSJS-UHFFFAOYSA-N 1 0 278.352 2.114 10 30 CEEERO CC[C@H](C)[NH+]1CCN(C[C@@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069082469 523955442 /nfs/dbraw/zinc/95/54/42/523955442.db2.gz UGMIPXHNQFDNOG-DOTOQJQBSA-N 1 0 292.471 2.073 10 30 CEEERO C[C@H]([NH3+])[C@H](N(C)c1cccc(C#N)c1)C(F)(F)F ZINC000061950349 524852855 /nfs/dbraw/zinc/85/28/55/524852855.db2.gz PTQGHZTYEXJSMU-KWQFWETISA-N 1 0 257.259 2.273 10 30 CEEERO CSCCC[NH2+]Cc1ccccc1OCC#N ZINC000069433938 525480077 /nfs/dbraw/zinc/48/00/77/525480077.db2.gz AVWBTBORPQSARX-UHFFFAOYSA-N 1 0 250.367 2.432 10 30 CEEERO Cc1ccc(C#N)c(N2C[C@@H]3C[C@H]([NH3+])CC[C@@H]3C2)c1 ZINC000051581011 525991756 /nfs/dbraw/zinc/99/17/56/525991756.db2.gz NDIDKVFPCMQIGD-QLFBSQMISA-N 1 0 255.365 2.430 10 30 CEEERO C[C@@H](C#N)Oc1cc(C[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000050517223 526238615 /nfs/dbraw/zinc/23/86/15/526238615.db2.gz ZYAKVURXXPBRTP-VIFPVBQESA-N 1 0 261.281 2.138 10 30 CEEERO N#C[C@@H](c1csc2ccccc12)N1CC[NH2+]CC1 ZINC000054464655 526497696 /nfs/dbraw/zinc/49/76/96/526497696.db2.gz OPULFZQEFLIWMU-ZDUSSCGKSA-N 1 0 257.362 2.371 10 30 CEEERO N#Cc1cc(CN2C[C@@H](CC[NH3+])c3ccccc32)ccn1 ZINC000068757848 526550482 /nfs/dbraw/zinc/55/04/82/526550482.db2.gz PJVAZOPJFVOXCV-CQSZACIVSA-N 1 0 278.359 2.406 10 30 CEEERO N#Cc1cccc(CNC(=O)CC[C@@H]2CCCC[NH2+]2)c1 ZINC000050945501 526705686 /nfs/dbraw/zinc/70/56/86/526705686.db2.gz DPPURMSGDFMKCV-HNNXBMFYSA-N 1 0 271.364 2.097 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000234395544 623990444 /nfs/dbraw/zinc/99/04/44/623990444.db2.gz CPAVHKQEMAZBDF-QMMMGPOBSA-N 1 0 270.789 2.104 10 30 CEEERO N#Cc1ccc(NC2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000051693953 624522862 /nfs/dbraw/zinc/52/28/62/624522862.db2.gz KVOIAIUNQMJBQS-UHFFFAOYSA-N 1 0 260.297 2.148 10 30 CEEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH3+] ZINC000235696612 625097939 /nfs/dbraw/zinc/09/79/39/625097939.db2.gz GGDQINZRJXHPIU-UFBFGSQYSA-N 1 0 269.270 2.360 10 30 CEEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261697795 629096553 /nfs/dbraw/zinc/09/65/53/629096553.db2.gz STIJFGFOWFWUQA-RQJABVFESA-N 1 0 279.428 2.154 10 30 CEEERO N#Cc1cccc(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000261767853 629188134 /nfs/dbraw/zinc/18/81/34/629188134.db2.gz OKSYBYTZYLVREF-HNNXBMFYSA-N 1 0 264.332 2.252 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCS[C@@H](CC)C1 ZINC000262051692 629606270 /nfs/dbraw/zinc/60/62/70/629606270.db2.gz ZRMVHAVZZUVSGT-SDDRHHMPSA-N 1 0 255.431 2.188 10 30 CEEERO C#CCOc1ccc(C[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000113326581 644355181 /nfs/dbraw/zinc/35/51/81/644355181.db2.gz GPIXWCZDAZVLOR-INIZCTEOSA-N 1 0 272.392 2.273 10 30 CEEERO N#Cc1ccc(OCCCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000022453568 650978399 /nfs/dbraw/zinc/97/83/99/650978399.db2.gz WRHJLGKIBSTAJD-QGZVFWFLSA-N 1 0 299.418 2.497 10 30 CEEERO C#CCCCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000119994310 646973039 /nfs/dbraw/zinc/97/30/39/646973039.db2.gz FFIIZMWYINSPSP-KGLIPLIRSA-N 1 0 250.386 2.025 10 30 CEEERO C#CCCCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000120046281 647003692 /nfs/dbraw/zinc/00/36/92/647003692.db2.gz YVAFCIJJYXKJES-OAHLLOKOSA-N 1 0 264.413 2.417 10 30 CEEERO N#Cc1cc2ccccc2nc1NC[C@H]1CC[NH2+]C1 ZINC000133801516 652724979 /nfs/dbraw/zinc/72/49/79/652724979.db2.gz WDRITJXMXSTZAZ-NSHDSACASA-N 1 0 252.321 2.128 10 30 CEEERO Cc1ccnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1C#N ZINC000135199906 652947854 /nfs/dbraw/zinc/94/78/54/652947854.db2.gz QTHNJOYUKLQCDQ-OAHLLOKOSA-N 1 0 270.380 2.230 10 30 CEEERO CCCCC#CC[N+]1(C)CCN(C(=O)OCC)CC1 ZINC000033883740 717123012 /nfs/dbraw/zinc/12/30/12/717123012.db2.gz QASSPYSISZXWAD-UHFFFAOYSA-N 1 0 267.393 2.099 10 30 CEEERO C=C(Br)CN1CCC(C[NH2+]CC)CC1 ZINC000082645645 178141731 /nfs/dbraw/zinc/14/17/31/178141731.db2.gz DEDIKLGNECAGGJ-UHFFFAOYSA-N 1 0 261.207 2.217 10 30 CEEERO C#CCOC[C@H](O)C[N@@H+](Cc1ccc(C)s1)C1CC1 ZINC000036101325 361829599 /nfs/dbraw/zinc/82/95/99/361829599.db2.gz VMBMNBZDBDTEEY-CQSZACIVSA-N 1 0 279.405 2.032 10 30 CEEERO C#CC[N@@H+](CCC)[C@H]1COc2ccc(OC)cc2C1 ZINC000038777849 343434960 /nfs/dbraw/zinc/43/49/60/343434960.db2.gz MQBLRNGQQYSICL-CQSZACIVSA-N 1 0 259.349 2.344 10 30 CEEERO CC[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[C@@H]1[NH3+] ZINC000122960062 344308532 /nfs/dbraw/zinc/30/85/32/344308532.db2.gz MZHXBCFYTRICHS-WFASDCNBSA-N 1 0 284.407 2.396 10 30 CEEERO C[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163723 362407279 /nfs/dbraw/zinc/40/72/79/362407279.db2.gz PWKTWGQDIYQLFN-JQWIXIFHSA-N 1 0 274.324 2.266 10 30 CEEERO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000328579481 344755628 /nfs/dbraw/zinc/75/56/28/344755628.db2.gz KPUCPWPGEADPDP-UPJWGTAASA-N 1 0 284.400 2.263 10 30 CEEERO N#Cc1cccnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594696736 345673694 /nfs/dbraw/zinc/67/36/94/345673694.db2.gz KTIZOWJXIQPSFW-HNNXBMFYSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1cccnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594696738 345674084 /nfs/dbraw/zinc/67/40/84/345674084.db2.gz KTIZOWJXIQPSFW-OAHLLOKOSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085358199 179031475 /nfs/dbraw/zinc/03/14/75/179031475.db2.gz HDYWDGSEQMALBX-ZYHUDNBSSA-N 1 0 263.728 2.278 10 30 CEEERO N#CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085363074 179034493 /nfs/dbraw/zinc/03/44/93/179034493.db2.gz QEJLAFGJYJMYRY-UONOGXRCSA-N 1 0 257.337 2.209 10 30 CEEERO Cc1ccc(CN2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1C#N ZINC000599338696 346501505 /nfs/dbraw/zinc/50/15/05/346501505.db2.gz VRRVBAPXJPGPDE-BBRMVZONSA-N 1 0 257.381 2.249 10 30 CEEERO Cc1nc(N[C@@H]2CC[C@H](C)[NH2+]C2)c(Cl)cc1C#N ZINC000600955868 346716921 /nfs/dbraw/zinc/71/69/21/346716921.db2.gz SVKHNIVBIPTAJU-GZMMTYOYSA-N 1 0 264.760 2.468 10 30 CEEERO C[C@@H]1[NH2+]CC[C@H]1Nc1cccc(Br)c1C#N ZINC000600956773 346717461 /nfs/dbraw/zinc/71/74/61/346717461.db2.gz HDYIATAZGGWZBW-GZMMTYOYSA-N 1 0 280.169 2.483 10 30 CEEERO N#Cc1ccncc1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000600961220 346719288 /nfs/dbraw/zinc/71/92/88/346719288.db2.gz NVTCXKSWBAMPRS-HNNXBMFYSA-N 1 0 266.348 2.325 10 30 CEEERO C#CCOc1ccccc1C[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000128488486 187373705 /nfs/dbraw/zinc/37/37/05/187373705.db2.gz BFILZZBRHVNZDA-HNNXBMFYSA-N 1 0 295.386 2.422 10 30 CEEERO C[C@@H](C[NH+]1CCCC1)Nc1c(C#N)nnc2ccccc21 ZINC000085920245 179199289 /nfs/dbraw/zinc/19/92/89/179199289.db2.gz YCWQKWUYJCVNFI-LBPRGKRZSA-N 1 0 281.363 2.398 10 30 CEEERO C[C@H](Nc1c(C#N)nnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000085920790 179200864 /nfs/dbraw/zinc/20/08/64/179200864.db2.gz SJIFCYNSZPDWSV-NWDGAFQWSA-N 1 0 281.363 2.301 10 30 CEEERO N#C[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000085987490 179212750 /nfs/dbraw/zinc/21/27/50/179212750.db2.gz MTIXWMYIUDOARA-XHSDSOJGSA-N 1 0 258.365 2.434 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1sccc1C#CC[NH3+] ZINC000086081135 179227612 /nfs/dbraw/zinc/22/76/12/179227612.db2.gz UVVLNOLUQJNRFR-LOWVWBTDSA-N 1 0 276.405 2.223 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+]C[C@H]2CCOC2)C1 ZINC000086037254 179221640 /nfs/dbraw/zinc/22/16/40/179221640.db2.gz JQJOIXGNTJHMAA-IUDNXUCKSA-N 1 0 256.349 2.236 10 30 CEEERO CC(C)[NH2+][C@H]1CCN(c2cc(Cl)ccc2C#N)C1=O ZINC000086115378 179234165 /nfs/dbraw/zinc/23/41/65/179234165.db2.gz UQIBXQGACJTVGE-LBPRGKRZSA-N 1 0 277.755 2.315 10 30 CEEERO COc1ccc([C@@H](C#N)N2CCC[NH2+]CC2)cc1Cl ZINC000086595313 179311166 /nfs/dbraw/zinc/31/11/66/179311166.db2.gz CFDIAMLZFKIXIE-CYBMUJFWSA-N 1 0 279.771 2.209 10 30 CEEERO COc1ccccc1N[C@]1(C#N)CCC[N@H+](C)CC1 ZINC000086819711 179348747 /nfs/dbraw/zinc/34/87/47/179348747.db2.gz SYLGXFRBFYZVSY-OAHLLOKOSA-N 1 0 259.353 2.485 10 30 CEEERO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2CO)cc1C#N ZINC000089496153 179803779 /nfs/dbraw/zinc/80/37/79/179803779.db2.gz LHFHJZBMRFFRAN-KBPBESRZSA-N 1 0 274.364 2.065 10 30 CEEERO C#CCNC(=O)[C@H](C)Sc1cccc(C[NH2+]CCC)c1 ZINC000090871598 180049693 /nfs/dbraw/zinc/04/96/93/180049693.db2.gz YVDOALAXELZQOO-ZDUSSCGKSA-N 1 0 290.432 2.416 10 30 CEEERO CC(C)CCC[C@H](C)NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462215 180162681 /nfs/dbraw/zinc/16/26/81/180162681.db2.gz DGWVEZROQWWKES-AWEZNQCLSA-N 1 0 287.407 2.336 10 30 CEEERO C=CC[C@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000091613185 180208077 /nfs/dbraw/zinc/20/80/77/180208077.db2.gz ZVWJKQCSJUBCIG-LSDHHAIUSA-N 1 0 254.418 2.432 10 30 CEEERO C#CCC[C@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000091613197 180208145 /nfs/dbraw/zinc/20/81/45/180208145.db2.gz ACDAUYBCSAQPGD-JKSUJKDBSA-N 1 0 266.429 2.269 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000091543528 180185023 /nfs/dbraw/zinc/18/50/23/180185023.db2.gz PKBVQCGFLLREJL-SCZZXKLOSA-N 1 0 263.728 2.278 10 30 CEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)N1CCCCC1 ZINC000091969694 180295017 /nfs/dbraw/zinc/29/50/17/180295017.db2.gz XOGQTKJZKIDSHX-UHFFFAOYSA-N 1 0 291.420 2.096 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@H]1c1cccs1 ZINC000105785541 186071219 /nfs/dbraw/zinc/07/12/19/186071219.db2.gz IZLMIKCLKRLZEG-NSHDSACASA-N 1 0 250.367 2.187 10 30 CEEERO CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000105873814 186082480 /nfs/dbraw/zinc/08/24/80/186082480.db2.gz KECWIBVSFTVFJR-HNNXBMFYSA-N 1 0 295.390 2.378 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000092474303 180393721 /nfs/dbraw/zinc/39/37/21/180393721.db2.gz LQMJBQQWRRCGMZ-CYBMUJFWSA-N 1 0 276.380 2.493 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OC(C)C)cc1C ZINC000092474464 180394242 /nfs/dbraw/zinc/39/42/42/180394242.db2.gz CVZPYAFNDFSONK-UHFFFAOYSA-N 1 0 262.353 2.496 10 30 CEEERO C=CC[NH2+]CC(=O)NCc1cccc2ccccc21 ZINC000092475695 180394245 /nfs/dbraw/zinc/39/42/45/180394245.db2.gz SGZSVFZLGAOEDE-UHFFFAOYSA-N 1 0 254.333 2.232 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000130540680 365966333 /nfs/dbraw/zinc/96/63/33/365966333.db2.gz YOSKJVICNBYEEQ-CYBMUJFWSA-N 1 0 258.369 2.371 10 30 CEEERO CN(CC1CCCC1)C(=O)c1cccc(C#CC[NH3+])c1 ZINC000110847574 186328443 /nfs/dbraw/zinc/32/84/43/186328443.db2.gz XLFMTJJNMAENLT-UHFFFAOYSA-N 1 0 270.376 2.259 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000111102486 186353067 /nfs/dbraw/zinc/35/30/67/186353067.db2.gz WPJRQLNGZGLLBF-YNEHKIRRSA-N 1 0 288.416 2.224 10 30 CEEERO CC[NH2+]Cc1cccc(NC(=O)c2ccc(C#N)cn2)c1 ZINC000111282718 186389313 /nfs/dbraw/zinc/38/93/13/186389313.db2.gz FGIQKUPVUKMCSQ-UHFFFAOYSA-N 1 0 280.331 2.315 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261587047 283095058 /nfs/dbraw/zinc/09/50/58/283095058.db2.gz UUBCYHMYIZVCOB-PWSUYJOCSA-N 1 0 261.756 2.257 10 30 CEEERO N#Cc1cc(N2CCCC[C@@H]2C[NH3+])nc2ccccc12 ZINC000068770894 283102873 /nfs/dbraw/zinc/10/28/73/283102873.db2.gz MGAWBXNIXZPAEO-CYBMUJFWSA-N 1 0 266.348 2.424 10 30 CEEERO N#Cc1cc2c(nc1N1CC[C@@H]3[NH2+]CC[C@H]3C1)CCCC2 ZINC000261609948 283116217 /nfs/dbraw/zinc/11/62/17/283116217.db2.gz DSPVKDQTJZJLGD-ZFWWWQNUSA-N 1 0 282.391 2.020 10 30 CEEERO N#Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000069052693 283133610 /nfs/dbraw/zinc/13/36/10/283133610.db2.gz HOZHWHIOKMRMDU-UHFFFAOYSA-N 1 0 277.327 2.456 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261746794 283136556 /nfs/dbraw/zinc/13/65/56/283136556.db2.gz SUHDBMYRKVBVGF-WDEREUQCSA-N 1 0 296.296 2.160 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CCC(C[NH3+])CC1 ZINC000094337352 364266381 /nfs/dbraw/zinc/26/63/81/364266381.db2.gz PGSARRIPVHOAQS-UHFFFAOYSA-N 1 0 284.285 2.147 10 30 CEEERO C=CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000116855370 365073556 /nfs/dbraw/zinc/07/35/56/365073556.db2.gz RFGQVRWKAYEUSO-ZFWWWQNUSA-N 1 0 260.381 2.240 10 30 CEEERO C=CCOCCCC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119624289 365301773 /nfs/dbraw/zinc/30/17/73/365301773.db2.gz QZPQMHRJDKRKAX-OAHLLOKOSA-N 1 0 282.428 2.206 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000171601585 367576377 /nfs/dbraw/zinc/57/63/77/367576377.db2.gz AIUULWONMCGOLL-MRXNPFEDSA-N 1 0 281.363 2.062 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000246082433 370907117 /nfs/dbraw/zinc/90/71/17/370907117.db2.gz MYUPLZWDKQLPBQ-SQNIBIBYSA-N 1 0 299.418 2.150 10 30 CEEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000187711754 369207762 /nfs/dbraw/zinc/20/77/62/369207762.db2.gz OQIXSEBXQUVBAE-VKJFTORMSA-N 1 0 299.418 2.272 10 30 CEEERO Clc1cccc(C#CCN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000246395748 370956058 /nfs/dbraw/zinc/95/60/58/370956058.db2.gz JNYUUPAMANONGL-INIZCTEOSA-N 1 0 274.795 2.472 10 30 CEEERO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CCC1 ZINC000191300133 369699315 /nfs/dbraw/zinc/69/93/15/369699315.db2.gz QRSHVLLMDGELLF-ZDUSSCGKSA-N 1 0 250.386 2.333 10 30 CEEERO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195505768 370135784 /nfs/dbraw/zinc/13/57/84/370135784.db2.gz AJKUHCHTYFWUQI-UHFFFAOYSA-N 1 0 290.411 2.014 10 30 CEEERO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249283457 371309353 /nfs/dbraw/zinc/30/93/53/371309353.db2.gz OJRJMDRKDLIBEA-BBRMVZONSA-N 1 0 255.365 2.399 10 30 CEEERO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246376762 296225821 /nfs/dbraw/zinc/22/58/21/296225821.db2.gz MRIGKEFDWDITDG-BBRMVZONSA-N 1 0 255.365 2.399 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382457599 375186219 /nfs/dbraw/zinc/18/62/19/375186219.db2.gz KWTGPVMOEZITAR-OLZOCXBDSA-N 1 0 266.348 2.210 10 30 CEEERO CNC(=O)[C@H]([NH2+]CC#Cc1cccc(Cl)c1)C(C)C ZINC000183645780 542294152 /nfs/dbraw/zinc/29/41/52/542294152.db2.gz YJSWRYAHIVORIV-CQSZACIVSA-N 1 0 278.783 2.052 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996933 177751627 /nfs/dbraw/zinc/75/16/27/177751627.db2.gz IYKZACXCJKJKQW-AWEZNQCLSA-N 1 0 275.352 2.054 10 30 CEEERO CC(C)N(CCC#N)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093676990 184704762 /nfs/dbraw/zinc/70/47/62/184704762.db2.gz VZSLQDZBGZDOHZ-AGUYFDCRSA-N 1 0 263.385 2.058 10 30 CEEERO CCN(CC1CC[NH2+]CC1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000094043491 184751521 /nfs/dbraw/zinc/75/15/21/184751521.db2.gz WALGUEZUIZJMIB-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1O[C@@H]1CC[C@H]([NH3+])C1 ZINC000094337745 184783472 /nfs/dbraw/zinc/78/34/72/184783472.db2.gz UQXAXFBKOCJEFX-DTWKUNHWSA-N 1 0 271.242 2.231 10 30 CEEERO CC1(C)CCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)C1 ZINC000094808508 184869810 /nfs/dbraw/zinc/86/98/10/184869810.db2.gz NYGLRANCEQSCDP-UHFFFAOYSA-N 1 0 274.339 2.008 10 30 CEEERO Cc1cc(C(=O)NCc2ccc(C)nc2)sc1C#CC[NH3+] ZINC000094536772 184814253 /nfs/dbraw/zinc/81/42/53/184814253.db2.gz FCYFBWQVDYNMOZ-UHFFFAOYSA-N 1 0 299.399 2.000 10 30 CEEERO COc1cc(C[NH2+]C[C@H](O)C(C)(C)C)ccc1C#N ZINC000281638299 195317596 /nfs/dbraw/zinc/31/75/96/195317596.db2.gz ITECANALNPWIGG-AWEZNQCLSA-N 1 0 262.353 2.063 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2nccc(C#N)c2Cl)CC1 ZINC000235145870 134932595 /nfs/dbraw/zinc/93/25/95/134932595.db2.gz RBBPMHTXCUEUIT-SECBINFHSA-N 1 0 264.760 2.170 10 30 CEEERO C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1[NH3+] ZINC000094337479 135086448 /nfs/dbraw/zinc/08/64/48/135086448.db2.gz QKUQRRODXKUWSG-SCZZXKLOSA-N 1 0 284.285 2.146 10 30 CEEERO C[N@H+](CCN1CCC(C#N)CC1)Cc1ccc(F)cc1 ZINC000159033807 395057582 /nfs/dbraw/zinc/05/75/82/395057582.db2.gz QKMXFFVVOGWRRE-UHFFFAOYSA-N 1 0 275.371 2.493 10 30 CEEERO Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c(C#N)c(C)n1 ZINC000156580298 395032515 /nfs/dbraw/zinc/03/25/15/395032515.db2.gz FBPCNRRQENBJHN-AWEZNQCLSA-N 1 0 270.380 2.245 10 30 CEEERO CCC[C@H](C(=O)NCc1ccc(C#N)cc1F)[NH+](C)C ZINC000178661586 395172310 /nfs/dbraw/zinc/17/23/10/395172310.db2.gz AMTKZHOGXJDPHS-CQSZACIVSA-N 1 0 277.343 2.044 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(F)c1C#N ZINC000188384951 153055328 /nfs/dbraw/zinc/05/53/28/153055328.db2.gz BDMNRUSOTUZDOA-GFCCVEGCSA-N 1 0 291.370 2.403 10 30 CEEERO C[NH+](C)CCN[C@H](C#N)c1cccc(Br)c1 ZINC000020176177 171042539 /nfs/dbraw/zinc/04/25/39/171042539.db2.gz ZUUJTSOIEQYUGT-GFCCVEGCSA-N 1 0 282.185 2.165 10 30 CEEERO N#CCCN(c1ccccc1)[C@@H](C[NH3+])C(F)(F)F ZINC000037169543 173004489 /nfs/dbraw/zinc/00/44/89/173004489.db2.gz MJEKVDZUPGYJKK-NSHDSACASA-N 1 0 257.259 2.296 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)CCc2ccco2)CC1 ZINC000037232930 173052321 /nfs/dbraw/zinc/05/23/21/173052321.db2.gz RIKACAJXDYMIOM-CQSZACIVSA-N 1 0 260.381 2.288 10 30 CEEERO C[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749535 173672216 /nfs/dbraw/zinc/67/22/16/173672216.db2.gz VYQFRGVGQFCSTJ-WFASDCNBSA-N 1 0 276.380 2.385 10 30 CEEERO C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(C#N)cc1 ZINC000040462987 174272147 /nfs/dbraw/zinc/27/21/47/174272147.db2.gz DEOKXZROESEOTE-GXFFZTMASA-N 1 0 259.353 2.109 10 30 CEEERO C#CCN1CCC([NH2+]Cc2cc3c(s2)CCC3)CC1 ZINC000040626378 174356260 /nfs/dbraw/zinc/35/62/60/174356260.db2.gz ZSKDCALTOAEJSE-UHFFFAOYSA-N 1 0 274.433 2.424 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccccn1)N(CCC#N)C1CC1 ZINC000043340902 175014769 /nfs/dbraw/zinc/01/47/69/175014769.db2.gz AARWTELJUDSSQS-HIFRSBDPSA-N 1 0 258.369 2.238 10 30 CEEERO OCCC#Cc1ccsc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000043679237 175089862 /nfs/dbraw/zinc/08/98/62/175089862.db2.gz GSEWKOATLVSZBI-OAHLLOKOSA-N 1 0 293.432 2.219 10 30 CEEERO [NH3+]CC#Cc1ccsc1COc1ccc2c(c1)OCO2 ZINC000043685136 175094072 /nfs/dbraw/zinc/09/40/72/175094072.db2.gz POPYVODWFRETFM-UHFFFAOYSA-N 1 0 287.340 2.366 10 30 CEEERO CC[C@@H](C)[N@H+](CCOC)CC[C@@](C)(C#N)NC(C)C ZINC000045182722 175325312 /nfs/dbraw/zinc/32/53/12/175325312.db2.gz FWSQVZLRUJFSIU-CABCVRRESA-N 1 0 269.433 2.404 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CCC([NH+](C)C)CC1 ZINC000045311110 175356593 /nfs/dbraw/zinc/35/65/93/175356593.db2.gz KWTUMGFBKXDRQO-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC ZINC000045314211 175356963 /nfs/dbraw/zinc/35/69/63/175356963.db2.gz SHDQPIQLZGXJNH-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO CCOC1CC[NH+](CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045313042 175357227 /nfs/dbraw/zinc/35/72/27/175357227.db2.gz UFTALYXQPXGUOT-INIZCTEOSA-N 1 0 279.428 2.302 10 30 CEEERO CCC[N@H+](CC)CCOc1ccc(C#CCO)cc1 ZINC000049617322 175494184 /nfs/dbraw/zinc/49/41/84/175494184.db2.gz YLWYNLPZPGUWBP-UHFFFAOYSA-N 1 0 261.365 2.141 10 30 CEEERO C[C@@H]1CCC[C@@H](N(C)C(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000049629612 175497060 /nfs/dbraw/zinc/49/70/60/175497060.db2.gz CSMYRVZGSLEADW-CZUORRHYSA-N 1 0 285.391 2.043 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070576211 175991519 /nfs/dbraw/zinc/99/15/19/175991519.db2.gz XVHLZQMWLDBAMG-HUUCEWRRSA-N 1 0 271.364 2.034 10 30 CEEERO CC[C@@H]1CC[C@H](C#N)[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000070939522 176013502 /nfs/dbraw/zinc/01/35/02/176013502.db2.gz MQBCYKGXMVGUFS-BZUAXINKSA-N 1 0 293.455 2.093 10 30 CEEERO COCCN(CCC#N)c1cccc(F)c1[C@H](C)[NH3+] ZINC000071225956 176089744 /nfs/dbraw/zinc/08/97/44/176089744.db2.gz KAGKXQDOOHAMJX-NSHDSACASA-N 1 0 265.332 2.212 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)c2ccccc2F)c1 ZINC000071322557 176122840 /nfs/dbraw/zinc/12/28/40/176122840.db2.gz ICJGCPIMGSZFDY-UHFFFAOYSA-N 1 0 288.347 2.127 10 30 CEEERO Cc1ccc(C(=O)NCc2cc(C#CC[NH3+])cs2)c(C)n1 ZINC000071322576 176122964 /nfs/dbraw/zinc/12/29/64/176122964.db2.gz PWZAFTZGSLPUJC-UHFFFAOYSA-N 1 0 299.399 2.000 10 30 CEEERO C[C@@H](CC[NH3+])CCC(=O)N(CCC#N)Cc1cccnc1 ZINC000079079289 177429716 /nfs/dbraw/zinc/42/97/16/177429716.db2.gz SDQROKZEVSXYCE-CQSZACIVSA-N 1 0 288.395 2.089 10 30 CEEERO CC[C@@H](CC[NH3+])CCC(=O)N(CC)C[C@@H](C)C#N ZINC000079210602 177447333 /nfs/dbraw/zinc/44/73/33/177447333.db2.gz NNXXFMCPRNHASR-QWHCGFSZSA-N 1 0 253.390 2.150 10 30 CEEERO CN(CCC#N)C(=O)CC[C@@H](CC[NH3+])C(C)(C)C ZINC000079289182 177464327 /nfs/dbraw/zinc/46/43/27/177464327.db2.gz ZIAQFARVNUAZEQ-LBPRGKRZSA-N 1 0 253.390 2.150 10 30 CEEERO C[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000252170982 287360510 /nfs/dbraw/zinc/36/05/10/287360510.db2.gz NXTYBOBNTBCZBT-YGRLFVJLSA-N 1 0 274.324 2.030 10 30 CEEERO C=CCC(CC=C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000152659533 260663820 /nfs/dbraw/zinc/66/38/20/260663820.db2.gz WBIHKBFWUXZKRF-ZDUSSCGKSA-N 1 0 250.386 2.261 10 30 CEEERO CCc1nnc(N[C@@H](C)C[C@@H](C)[NH3+])c(C#N)c1CC ZINC000320652278 266457689 /nfs/dbraw/zinc/45/76/89/266457689.db2.gz GUKJQYCPEPLXED-ZJUUUORDSA-N 1 0 261.373 2.011 10 30 CEEERO C[NH+](C)[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078835766 273808854 /nfs/dbraw/zinc/80/88/54/273808854.db2.gz LQCQBHFAIMBHMF-SNVBAGLBSA-N 1 0 284.285 2.112 10 30 CEEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261578782 274923313 /nfs/dbraw/zinc/92/33/13/274923313.db2.gz PBHNPRUUAJHMJX-UHTWSYAYSA-N 1 0 261.756 2.385 10 30 CEEERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H](C[NH3+])C1 ZINC000261659770 277757959 /nfs/dbraw/zinc/75/79/59/277757959.db2.gz ZLFRKYJOIUDITQ-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccc(C[C@@H]2COCC[C@@H]2[NH2+]C2CC2)cc1 ZINC000095077176 279517808 /nfs/dbraw/zinc/51/78/08/279517808.db2.gz YYFWDDKGLBUXEX-ZBFHGGJFSA-N 1 0 256.349 2.258 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1[NH3+] ZINC000251831622 279880408 /nfs/dbraw/zinc/88/04/08/279880408.db2.gz PPLFPIMIKIZHAR-JOYOIKCWSA-N 1 0 294.196 2.494 10 30 CEEERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000247490905 280331385 /nfs/dbraw/zinc/33/13/85/280331385.db2.gz WWDQAGKKPQRFJG-SMDDNHRTSA-N 1 0 263.410 2.438 10 30 CEEERO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000246394698 290222255 /nfs/dbraw/zinc/22/22/55/290222255.db2.gz JBTQQHXEGHDWOE-RKVPGOIHSA-N 1 0 299.418 2.272 10 30 CEEERO Cc1nc(NCC2CC[NH2+]CC2)c(Cl)cc1C#N ZINC000394143813 329106704 /nfs/dbraw/zinc/10/67/04/329106704.db2.gz XZRAAIRYDLRBMI-UHFFFAOYSA-N 1 0 264.760 2.327 10 30 CEEERO N#Cc1cccc(N[C@@H]2CC[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382482396 321840496 /nfs/dbraw/zinc/84/04/96/321840496.db2.gz XMYRIDAMKRLTFE-GXSJLCMTSA-N 1 0 260.297 2.006 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261800529 329984373 /nfs/dbraw/zinc/98/43/73/329984373.db2.gz RRHFLNWDXPKNKH-VGWMRTNUSA-N 1 0 293.455 2.235 10 30 CEEERO Cc1sc(CNC(=[NH2+])N(C)C2CC2)nc1C(C)C ZINC000262301024 330005163 /nfs/dbraw/zinc/00/51/63/330005163.db2.gz ZSXRDFADDBTPHK-UHFFFAOYSA-N 1 0 266.414 2.484 10 30 CEEERO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000262323382 330005931 /nfs/dbraw/zinc/00/59/31/330005931.db2.gz CUQHZVBIOJMQFN-QWHCGFSZSA-N 1 0 295.333 2.471 10 30 CEEERO C[NH+]=C(NC(C)C)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000262372031 330011271 /nfs/dbraw/zinc/01/12/71/330011271.db2.gz IVFQGBJHEOWSQV-BXKDBHETSA-N 1 0 267.323 2.394 10 30 CEEERO C[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262476063 330016174 /nfs/dbraw/zinc/01/61/74/330016174.db2.gz ZTYNPBHHRGZAHK-MJBXVCDLSA-N 1 0 279.428 2.155 10 30 CEEERO CC[NH+]=C(NCC(C)(C)SC)N[C@@H]1CC1(C)C ZINC000262479177 330016291 /nfs/dbraw/zinc/01/62/91/330016291.db2.gz HSYPYEDZZWSHBF-SNVBAGLBSA-N 1 0 257.447 2.482 10 30 CEEERO CCCOc1cc(C)ccc1CNC1=[NH+]CCN1C ZINC000262665815 330025296 /nfs/dbraw/zinc/02/52/96/330025296.db2.gz OQTNKVXGIMNFCG-UHFFFAOYSA-N 1 0 261.369 2.175 10 30 CEEERO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000263155064 330046346 /nfs/dbraw/zinc/04/63/46/330046346.db2.gz PWIDOTUFICKWCE-SNPRPXQTSA-N 1 0 279.428 2.238 10 30 CEEERO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263527180 330058880 /nfs/dbraw/zinc/05/88/80/330058880.db2.gz UPFSWUMCZVRKDD-KBHBFKLGSA-N 1 0 268.401 2.114 10 30 CEEERO CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424083614 330222443 /nfs/dbraw/zinc/22/24/43/330222443.db2.gz NFBJBKDYBYOALD-KBPBESRZSA-N 1 0 259.353 2.275 10 30 CEEERO C=C[C@@](C)(CC)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000135094486 334115282 /nfs/dbraw/zinc/11/52/82/334115282.db2.gz HVMGPMIRLBJGGR-PBHICJAKSA-N 1 0 296.455 2.140 10 30 CEEERO CC[NH2+]Cc1ccc(OCC#N)c(Br)c1 ZINC000062701185 519999102 /nfs/dbraw/zinc/99/91/02/519999102.db2.gz ZRXUTKLBACBMHE-UHFFFAOYSA-N 1 0 269.142 2.461 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616553 520032230 /nfs/dbraw/zinc/03/22/30/520032230.db2.gz ADRCFBCQAGGMRM-GOEBONIOSA-N 1 0 281.444 2.405 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000068612317 520130121 /nfs/dbraw/zinc/13/01/21/520130121.db2.gz WPANXCUWGIYASB-JKSUJKDBSA-N 1 0 282.476 2.176 10 30 CEEERO CC(C)[NH2+]CCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050620164 519722809 /nfs/dbraw/zinc/72/28/09/519722809.db2.gz AUXFTTZSHLIVSY-UHFFFAOYSA-N 1 0 256.309 2.149 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616568 519735848 /nfs/dbraw/zinc/73/58/48/519735848.db2.gz PXNTYVPONPOIQY-GOEBONIOSA-N 1 0 281.444 2.404 10 30 CEEERO CCC[NH+]1CCC(Nc2ccc(C#N)cc2N)CC1 ZINC000049554966 519847475 /nfs/dbraw/zinc/84/74/75/519847475.db2.gz IBVUCENKESIHIF-UHFFFAOYSA-N 1 0 258.369 2.427 10 30 CEEERO CC[NH2+]C(C)(C)C(=O)Nc1cc(C#N)cc(F)c1C ZINC000061292812 519906064 /nfs/dbraw/zinc/90/60/64/519906064.db2.gz HRCIKOYQPXDRGF-UHFFFAOYSA-N 1 0 263.316 2.332 10 30 CEEERO CC[NH2+]Cc1ccc([N+](=O)[O-])c(OCCCC#N)c1 ZINC000050516990 520001967 /nfs/dbraw/zinc/00/19/67/520001967.db2.gz NIKFCFVQRZULBJ-UHFFFAOYSA-N 1 0 263.297 2.387 10 30 CEEERO CCCOc1ccc([C@@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000052920193 520412343 /nfs/dbraw/zinc/41/23/43/520412343.db2.gz KQBGMRXHQYXNOD-MRXNPFEDSA-N 1 0 273.380 2.335 10 30 CEEERO CCN(Cc1[nH+]c(NN)ccc1Cl)C[C@@H](C)C#N ZINC000061638527 521451191 /nfs/dbraw/zinc/45/11/91/521451191.db2.gz URNPJCSIBCPGAP-VIFPVBQESA-N 1 0 267.764 2.002 10 30 CEEERO CCN1CCC([N@H+](C)[C@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068612950 521566515 /nfs/dbraw/zinc/56/65/15/521566515.db2.gz ICBWIZLKTWJZPB-WBVHZDCISA-N 1 0 294.487 2.461 10 30 CEEERO C[NH2+]Cc1ccc(OC)c(OCc2cccnc2C#N)c1 ZINC000061656487 522119867 /nfs/dbraw/zinc/11/98/67/522119867.db2.gz GGMKXKLUBIOZLA-UHFFFAOYSA-N 1 0 283.331 2.260 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)CCC(C)(C)[NH3+] ZINC000070087574 523206985 /nfs/dbraw/zinc/20/69/85/523206985.db2.gz PRJNBUGISNAXMK-UHFFFAOYSA-N 1 0 259.353 2.034 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)CCC1CC[NH2+]CC1 ZINC000050946551 523294017 /nfs/dbraw/zinc/29/40/17/523294017.db2.gz UVGKMMKMTFLDOB-UHFFFAOYSA-N 1 0 285.391 2.296 10 30 CEEERO COCC[N@H+](CC[C@@H](C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000062437293 523726958 /nfs/dbraw/zinc/72/69/58/523726958.db2.gz SWVPWWQMURTLOM-ZFWWWQNUSA-N 1 0 267.417 2.014 10 30 CEEERO CN(C(=O)[C@@H](C[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000061980467 523892336 /nfs/dbraw/zinc/89/23/36/523892336.db2.gz WRDUIXYIIGMOFH-INIZCTEOSA-N 1 0 279.343 2.264 10 30 CEEERO C[C@H](CC[NH+](C)C)NCc1ccccc1OCC#N ZINC000049554004 524164248 /nfs/dbraw/zinc/16/42/48/524164248.db2.gz OXVSCFFAHHARLI-CYBMUJFWSA-N 1 0 261.369 2.019 10 30 CEEERO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020531 524345050 /nfs/dbraw/zinc/34/50/50/524345050.db2.gz XYESILWNFZVNAL-CFVMTHIKSA-N 1 0 271.364 2.227 10 30 CEEERO C[C@H]([NH3+])Cc1ccccc1OCc1ccnc(C#N)c1 ZINC000068759252 524833930 /nfs/dbraw/zinc/83/39/30/524833930.db2.gz GLHUJMZLFQRRHF-LBPRGKRZSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@@H]([NH3+])Cc1ccc(OCc2ccnc(C#N)c2)cc1 ZINC000068759228 524999403 /nfs/dbraw/zinc/99/94/03/524999403.db2.gz WYTWGWNLFSCIKY-GFCCVEGCSA-N 1 0 267.332 2.422 10 30 CEEERO Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054825727 526168136 /nfs/dbraw/zinc/16/81/36/526168136.db2.gz CRDDKVFKVHXMKC-HUUCEWRRSA-N 1 0 271.364 2.007 10 30 CEEERO N#Cc1cc(C[NH2+]C[C@H]2Cc3ccccc3O2)ccn1 ZINC000068752958 526550637 /nfs/dbraw/zinc/55/06/37/526550637.db2.gz RIBLSQIVNGOUAS-OAHLLOKOSA-N 1 0 265.316 2.047 10 30 CEEERO N#Cc1cc(OC[C@@H]2CCC[NH2+]2)nc2ccccc12 ZINC000068771614 526575356 /nfs/dbraw/zinc/57/53/56/526575356.db2.gz CCTSFFVUVVDMFY-LBPRGKRZSA-N 1 0 253.305 2.237 10 30 CEEERO N#Cc1ccc(F)cc1CN1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000069402086 526640859 /nfs/dbraw/zinc/64/08/59/526640859.db2.gz KXXINPRYZUTAPH-HOTGVXAUSA-N 1 0 273.355 2.414 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000235502121 625617008 /nfs/dbraw/zinc/61/70/08/625617008.db2.gz KWWRFPPPPMFIJW-YUMQZZPRSA-N 1 0 270.789 2.232 10 30 CEEERO N#Cc1cc2c(nc1NC[C@H]1CC[C@@H]([NH3+])C1)CCCC2 ZINC000312941409 628564393 /nfs/dbraw/zinc/56/43/93/628564393.db2.gz PTXGLMVTJSIXBQ-SMDDNHRTSA-N 1 0 270.380 2.371 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1ncc(Br)cc1C#N ZINC000261553572 628937003 /nfs/dbraw/zinc/93/70/03/628937003.db2.gz OAQMFTNIDCNLJK-KCJUWKMLSA-N 1 0 295.184 2.268 10 30 CEEERO N#Cc1cc(F)c(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(F)c1 ZINC000261627637 628952274 /nfs/dbraw/zinc/95/22/74/628952274.db2.gz VNQJUPNLEKOQFJ-GXFFZTMASA-N 1 0 263.291 2.025 10 30 CEEERO CC#CC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000166184053 639450961 /nfs/dbraw/zinc/45/09/61/639450961.db2.gz ANGCLYXEMVXZKM-QWHCGFSZSA-N 1 0 266.385 2.293 10 30 CEEERO CCc1nnc(N[C@H]2CCC[NH2+][C@@H]2C)c(C#N)c1CC ZINC000229605410 639710082 /nfs/dbraw/zinc/71/00/82/639710082.db2.gz VGRNLZZHQOPCLP-YGRLFVJLSA-N 1 0 273.384 2.025 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000063169544 639837275 /nfs/dbraw/zinc/83/72/75/639837275.db2.gz FVIZKXCIUXLNKJ-CYBMUJFWSA-N 1 0 274.324 2.045 10 30 CEEERO C#CCCCCC(=O)N1CC[N@@H+](CCOCC)[C@@H](CC)C1 ZINC000180188805 641425986 /nfs/dbraw/zinc/42/59/86/641425986.db2.gz WTIYAXBCBBCFJM-INIZCTEOSA-N 1 0 294.439 2.139 10 30 CEEERO Cc1ccnc(NCc2ccc(CC[NH3+])cc2)c1C#N ZINC000135197987 652947847 /nfs/dbraw/zinc/94/78/47/652947847.db2.gz HEDIBAMKZSFRTD-UHFFFAOYSA-N 1 0 266.348 2.375 10 30 CEEERO COCCCSCc1cc(C#CC[NH3+])cs1 ZINC000082630022 178140982 /nfs/dbraw/zinc/14/09/82/178140982.db2.gz HDAXYGVWRBXFIG-UHFFFAOYSA-N 1 0 255.408 2.328 10 30 CEEERO N#Cc1cc(N2CCC[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127854897 365765276 /nfs/dbraw/zinc/76/52/76/365765276.db2.gz PGLOZFFTQLEDGR-LLVKDONJSA-N 1 0 274.324 2.032 10 30 CEEERO C#CC[N@@H+](C)Cc1ccc(N)c(Br)c1 ZINC000130328463 344352000 /nfs/dbraw/zinc/35/20/00/344352000.db2.gz LBPIHULSEIPPJE-UHFFFAOYSA-N 1 0 253.143 2.096 10 30 CEEERO C[C@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000050163693 362407030 /nfs/dbraw/zinc/40/70/30/362407030.db2.gz OLJLGIJGKHWELZ-WDEREUQCSA-N 1 0 274.324 2.266 10 30 CEEERO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000328579482 344755769 /nfs/dbraw/zinc/75/57/69/344755769.db2.gz KPUCPWPGEADPDP-XQQFMLRXSA-N 1 0 284.400 2.263 10 30 CEEERO N#CC1(N2CCC[NH2+]CC2)CCC(C(F)(F)F)CC1 ZINC000085126710 178951919 /nfs/dbraw/zinc/95/19/19/178951919.db2.gz DTZMSECAIYMNIH-UHFFFAOYSA-N 1 0 275.318 2.297 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000311787222 201895265 /nfs/dbraw/zinc/89/52/65/201895265.db2.gz ZOYRNICYZOBPDN-SNVBAGLBSA-N 1 0 262.313 2.396 10 30 CEEERO CC#CCC[C@@H](NN)C1([NH+]2CCCCC2)CCCC1 ZINC000097588677 185634149 /nfs/dbraw/zinc/63/41/49/185634149.db2.gz HNIAJOGEFVDRCL-OAHLLOKOSA-N 1 0 263.429 2.421 10 30 CEEERO C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085361725 179033584 /nfs/dbraw/zinc/03/35/84/179033584.db2.gz CUSWBZVSVMUONM-GLQYFDAESA-N 1 0 271.364 2.253 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000600952504 346715560 /nfs/dbraw/zinc/71/55/60/346715560.db2.gz XPQVKMOTIITZSG-NWDGAFQWSA-N 1 0 251.280 2.389 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000600952397 346715766 /nfs/dbraw/zinc/71/57/66/346715766.db2.gz VQMKCELAUVBUOC-WDEREUQCSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)cc2Br)C[C@@H]1C[NH3+] ZINC000600962154 346720075 /nfs/dbraw/zinc/72/00/75/346720075.db2.gz ZBLZXQMGYNNSMX-ONGXEEELSA-N 1 0 294.196 2.352 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)C1 ZINC000127855898 136709822 /nfs/dbraw/zinc/70/98/22/136709822.db2.gz FVZPQYAWEFAXOY-QWRGUYRKSA-N 1 0 274.324 2.030 10 30 CEEERO COc1ccc([C@H](C#N)N2CCC[NH2+]CC2)cc1Cl ZINC000086595315 179310649 /nfs/dbraw/zinc/31/06/49/179310649.db2.gz CFDIAMLZFKIXIE-ZDUSSCGKSA-N 1 0 279.771 2.209 10 30 CEEERO N#Cc1ccc([C@H](O)C[NH2+]CC2(O)CCCCCC2)cc1 ZINC000087089503 179393441 /nfs/dbraw/zinc/39/34/41/179393441.db2.gz QDJDCCNNYLTOKT-MRXNPFEDSA-N 1 0 288.391 2.267 10 30 CEEERO CC[C@@H](C)CNC(=O)c1cc(C#CC[NH3+])ccc1C ZINC000087748416 179481038 /nfs/dbraw/zinc/48/10/38/179481038.db2.gz NSVVZICHMCODCZ-GFCCVEGCSA-N 1 0 258.365 2.081 10 30 CEEERO COc1ccc([C@@H]2[C@@H](C[NH3+])CCCN2C2CC2)cc1C#N ZINC000087823159 179494282 /nfs/dbraw/zinc/49/42/82/179494282.db2.gz XSUAWTCUXCNWQX-CXAGYDPISA-N 1 0 285.391 2.441 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089092128 179699281 /nfs/dbraw/zinc/69/92/81/179699281.db2.gz JEVQNKZKQSDSRA-WDEREUQCSA-N 1 0 260.297 2.006 10 30 CEEERO C[C@H]1C[C@H](O)C[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000401835848 233186048 /nfs/dbraw/zinc/18/60/48/233186048.db2.gz NWFGKIOXWMLROQ-ZFWWWQNUSA-N 1 0 274.364 2.030 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089453997 179793440 /nfs/dbraw/zinc/79/34/40/179793440.db2.gz JXYGXQDZXCYSDD-NEPJUHHUSA-N 1 0 275.327 2.319 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2CO)c1 ZINC000089494440 179803412 /nfs/dbraw/zinc/80/34/12/179803412.db2.gz IHAJHRCBIFPLFA-HUUCEWRRSA-N 1 0 274.364 2.087 10 30 CEEERO C=CCN(CC=C)C[C@@]1(C[NH2+]CC)CCCOC1 ZINC000104318715 185967065 /nfs/dbraw/zinc/96/70/65/185967065.db2.gz XUCUEFUSLPDOLC-HNNXBMFYSA-N 1 0 252.402 2.067 10 30 CEEERO CC1(C)[C@H]2C[NH2+]C[C@H]2CN1c1ccc(F)cc1C#N ZINC000090338814 179966844 /nfs/dbraw/zinc/96/68/44/179966844.db2.gz IUAMONQHRALJIC-AAEUAGOBSA-N 1 0 259.328 2.132 10 30 CEEERO C[C@@H](CC[NH3+])SCCOc1ccc(C#N)cc1 ZINC000090354918 179974373 /nfs/dbraw/zinc/97/43/73/179974373.db2.gz QRBLXRWYUHPZKH-NSHDSACASA-N 1 0 250.367 2.408 10 30 CEEERO Cc1sc(NC(=O)CSCC2C[NH2+]C2)c(C#N)c1C ZINC000090713046 180028446 /nfs/dbraw/zinc/02/84/46/180028446.db2.gz LNXBVXZMXWJOLA-UHFFFAOYSA-N 1 0 295.433 2.128 10 30 CEEERO CCCCN(C(=O)c1ccncc1C#CC[NH3+])[C@H](C)CC ZINC000091462526 180162314 /nfs/dbraw/zinc/16/23/14/180162314.db2.gz DTDNZUIIPMNSIB-CQSZACIVSA-N 1 0 287.407 2.433 10 30 CEEERO C=CCC[C@H]([NH2+]CC)[C@](C)(CC)N1CCOCC1 ZINC000091612987 180207142 /nfs/dbraw/zinc/20/71/42/180207142.db2.gz FNFNHQRSYOPJJF-GJZGRUSLSA-N 1 0 254.418 2.432 10 30 CEEERO CC#CC[C@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000091613163 180208332 /nfs/dbraw/zinc/20/83/32/180208332.db2.gz ZVDMUDOSYYXFFK-HOTGVXAUSA-N 1 0 266.429 2.269 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000091540275 180183529 /nfs/dbraw/zinc/18/35/29/180183529.db2.gz ZCOJXQAWRMXUDK-CABCVRRESA-N 1 0 288.391 2.337 10 30 CEEERO C=C(CC)C[C@@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642809 180214122 /nfs/dbraw/zinc/21/41/22/180214122.db2.gz DGRZIBDDYPHJMU-CQSZACIVSA-N 1 0 253.386 2.349 10 30 CEEERO C#CC[C@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646373 180215660 /nfs/dbraw/zinc/21/56/60/180215660.db2.gz LOPOFDOOAZZVTO-HNNXBMFYSA-N 1 0 264.413 2.023 10 30 CEEERO CC(C)[C@@H]([NH3+])c1ccn(Cc2cccnc2C#N)c1 ZINC000091825519 180265004 /nfs/dbraw/zinc/26/50/04/180265004.db2.gz CFRVWWDIVOUEMP-OAHLLOKOSA-N 1 0 254.337 2.459 10 30 CEEERO C[NH2+]C1CCC(N(C)c2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000091873667 180279003 /nfs/dbraw/zinc/27/90/03/180279003.db2.gz KZJXEFFFBDGMAA-UHFFFAOYSA-N 1 0 288.351 2.433 10 30 CEEERO C[C@H]1CCCN(C(=O)Nc2ccc(C#CC[NH3+])cc2F)C1 ZINC000091992428 180300304 /nfs/dbraw/zinc/30/03/04/180300304.db2.gz ODBINCWNEKGEQV-LBPRGKRZSA-N 1 0 289.354 2.400 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000092133976 180331498 /nfs/dbraw/zinc/33/14/98/180331498.db2.gz KLFUJFYUGHQFPO-GFCCVEGCSA-N 1 0 275.352 2.163 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000092202820 180343350 /nfs/dbraw/zinc/34/33/50/180343350.db2.gz LAUAXWHNYNQRSN-NXEZZACHSA-N 1 0 295.264 2.419 10 30 CEEERO [NH3+]CC#Cc1cccc(NC(=O)CSc2ccccc2)n1 ZINC000092232665 180349056 /nfs/dbraw/zinc/34/90/56/180349056.db2.gz WOBWEXYYTYJGPS-UHFFFAOYSA-N 1 0 297.383 2.123 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](CC)c1ccccc1OC ZINC000092473955 180393725 /nfs/dbraw/zinc/39/37/25/180393725.db2.gz KQAIUBISJOTFOZ-CYBMUJFWSA-N 1 0 262.353 2.038 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(OC)ccc1Cl ZINC000092475594 180393782 /nfs/dbraw/zinc/39/37/82/180393782.db2.gz GYWSIXYBYHHLSK-UHFFFAOYSA-N 1 0 254.717 2.063 10 30 CEEERO C#CC[NH2+]CC(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000092492543 180396466 /nfs/dbraw/zinc/39/64/66/180396466.db2.gz XYAFXMFPHCCBSR-JTQLQIEISA-N 1 0 284.281 2.105 10 30 CEEERO CC[C@@H](C#N)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000110513889 186299885 /nfs/dbraw/zinc/29/98/85/186299885.db2.gz KUOWGHLZDQYXHX-AWEZNQCLSA-N 1 0 288.351 2.015 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CSc1cnccn1 ZINC000110914148 186332273 /nfs/dbraw/zinc/33/22/73/186332273.db2.gz HXRMKMYLOGPBTM-UHFFFAOYSA-N 1 0 285.372 2.088 10 30 CEEERO C[N@@H+]1CCN(CCOc2ccc(CC#N)cc2)CC1(C)C ZINC000110719277 186316604 /nfs/dbraw/zinc/31/66/04/186316604.db2.gz HCOCWVHBSSTNSU-UHFFFAOYSA-N 1 0 287.407 2.157 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169113 186365096 /nfs/dbraw/zinc/36/50/96/186365096.db2.gz SCGNRNQNVRHSSS-HOTGVXAUSA-N 1 0 281.444 2.405 10 30 CEEERO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000131217026 366032404 /nfs/dbraw/zinc/03/24/04/366032404.db2.gz ULWOULMXZOYRLY-CQSZACIVSA-N 1 0 250.386 2.355 10 30 CEEERO C[C@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1[NH+](C)C ZINC000124135209 187123819 /nfs/dbraw/zinc/12/38/19/187123819.db2.gz UKIZQEXOWXIRTR-NHYWBVRUSA-N 1 0 261.344 2.079 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1nccc(C)c1C#N ZINC000135084741 187794187 /nfs/dbraw/zinc/79/41/87/187794187.db2.gz RWLWWAAHARXVAW-ZDUSSCGKSA-N 1 0 258.369 2.182 10 30 CEEERO N#CCSCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000074981858 283054436 /nfs/dbraw/zinc/05/44/36/283054436.db2.gz GJNHDIZXIZTNOE-QWHCGFSZSA-N 1 0 254.399 2.277 10 30 CEEERO N#CCSCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000074981857 363429861 /nfs/dbraw/zinc/42/98/61/363429861.db2.gz GJNHDIZXIZTNOE-OLZOCXBDSA-N 1 0 254.399 2.277 10 30 CEEERO CC(C)(C)OC(=O)N1CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675060407 540080817 /nfs/dbraw/zinc/08/08/17/540080817.db2.gz YNBDDQSHPRSSHA-JSGCOSHPSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261746792 283136638 /nfs/dbraw/zinc/13/66/38/283136638.db2.gz SUHDBMYRKVBVGF-QWRGUYRKSA-N 1 0 296.296 2.160 10 30 CEEERO N#Cc1nnc2ccccc2c1NCC[C@H]1CCC[NH2+]C1 ZINC000085920936 283259131 /nfs/dbraw/zinc/25/91/31/283259131.db2.gz MDSVBLPZQPIWFV-GFCCVEGCSA-N 1 0 281.363 2.303 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCSCC#N ZINC000136073922 366493566 /nfs/dbraw/zinc/49/35/66/366493566.db2.gz XZAAKZJSEPOYAM-ZIAGYGMSSA-N 1 0 267.442 2.192 10 30 CEEERO O/N=C(/C/[N+](O)=C\c1ccccc1)c1ccccc1 ZINC000143291764 366568246 /nfs/dbraw/zinc/56/82/46/366568246.db2.gz ZDYQZHVTFKLHSF-AQTBHVRNSA-O 1 0 255.297 2.386 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)c1ccc(C#N)cc1 ZINC000180846666 189279402 /nfs/dbraw/zinc/27/94/02/189279402.db2.gz MYUPLZWDKQLPBQ-KURKYZTESA-N 1 0 299.418 2.150 10 30 CEEERO CC(C)[NH2+]CCCNc1cc(C#N)c2ccccc2n1 ZINC000581538790 366790906 /nfs/dbraw/zinc/79/09/06/366790906.db2.gz MZBLPADLTLUVTP-UHFFFAOYSA-N 1 0 268.364 2.328 10 30 CEEERO Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c(C#N)c(C)n1 ZINC000301798489 201204242 /nfs/dbraw/zinc/20/42/42/201204242.db2.gz UWBMDTXJVGLEFD-CQSZACIVSA-N 1 0 272.396 2.348 10 30 CEEERO N#Cc1ccc(C[C@H]2COCC[C@H]2[NH2+]C2CC2)cc1 ZINC000095077179 364333244 /nfs/dbraw/zinc/33/32/44/364333244.db2.gz YYFWDDKGLBUXEX-GOEBONIOSA-N 1 0 256.349 2.258 10 30 CEEERO Cc1cc(C#N)ccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245960798 370895213 /nfs/dbraw/zinc/89/52/13/370895213.db2.gz SFMHJYGYFSHLFH-CJNGLKHVSA-N 1 0 285.391 2.325 10 30 CEEERO C=CCCC[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000181091161 368418997 /nfs/dbraw/zinc/41/89/97/368418997.db2.gz BNOZQZDYDRXRJT-CHWSQXEVSA-N 1 0 253.390 2.077 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000246321000 370946177 /nfs/dbraw/zinc/94/61/77/370946177.db2.gz WYBMFPNZUFNVBQ-SWLSCSKDSA-N 1 0 286.379 2.408 10 30 CEEERO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195328326 370125797 /nfs/dbraw/zinc/12/57/97/370125797.db2.gz NCULUHUDAHPRGQ-STQMWFEESA-N 1 0 293.436 2.322 10 30 CEEERO Cc1nc(N2CC[C@@H]([C@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261563977 371650746 /nfs/dbraw/zinc/65/07/46/371650746.db2.gz HDSKQSSWHOMZGZ-WCBMZHEXSA-N 1 0 264.760 2.089 10 30 CEEERO N#Cc1ccc(NC[C@H]2[NH2+]CCc3ccccc32)nc1 ZINC000261734415 371714301 /nfs/dbraw/zinc/71/43/01/371714301.db2.gz LJIAUYBSUYPLDO-OAHLLOKOSA-N 1 0 264.332 2.252 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000311787219 376686590 /nfs/dbraw/zinc/68/65/90/376686590.db2.gz ZOYRNICYZOBPDN-JTQLQIEISA-N 1 0 262.313 2.396 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@]1(C)c1ccccc1OC(F)F ZINC000093375124 184668239 /nfs/dbraw/zinc/66/82/39/184668239.db2.gz VJXAMYSSRCGUQN-AWEZNQCLSA-N 1 0 281.306 2.320 10 30 CEEERO C[C@H]1CCC[C@@H](C[NH3+])N1C[C@@H](C#N)c1ccccc1 ZINC000080787326 177706566 /nfs/dbraw/zinc/70/65/66/177706566.db2.gz VYLAWZIPLGMACG-IMJJTQAJSA-N 1 0 257.381 2.495 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccccc1F)n1ccnc1C#N ZINC000094936752 184896894 /nfs/dbraw/zinc/89/68/94/184896894.db2.gz SNKUCUBMTHOQBP-JSGCOSHPSA-N 1 0 258.300 2.221 10 30 CEEERO C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C[C@H]1C[NH3+] ZINC000253197648 134451285 /nfs/dbraw/zinc/45/12/85/134451285.db2.gz VBJBFUUDFYHTIQ-MWLCHTKSSA-N 1 0 265.307 2.258 10 30 CEEERO N#Cc1cccc(N2CC[NH2+]CC23CCCCC3)n1 ZINC000088396712 135054313 /nfs/dbraw/zinc/05/43/13/135054313.db2.gz WXGFYVMQSPGUKV-UHFFFAOYSA-N 1 0 256.353 2.066 10 30 CEEERO C[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1[NH3+] ZINC000094337480 135086405 /nfs/dbraw/zinc/08/64/05/135086405.db2.gz QKUQRRODXKUWSG-WPRPVWTQSA-N 1 0 284.285 2.146 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)s1 ZINC000245729769 394504111 /nfs/dbraw/zinc/50/41/11/394504111.db2.gz JMYOTCUNXMMWFA-NEPJUHHUSA-N 1 0 261.394 2.288 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1Cl ZINC000037393490 173173902 /nfs/dbraw/zinc/17/39/02/173173902.db2.gz OAGHQCPLPHOCQE-JTQLQIEISA-N 1 0 263.728 2.150 10 30 CEEERO CCC(C)(C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000037853786 173805634 /nfs/dbraw/zinc/80/56/34/173805634.db2.gz SDTWXCZTKYXVNB-ZDUSSCGKSA-N 1 0 262.353 2.076 10 30 CEEERO N#CCc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000038075431 174085943 /nfs/dbraw/zinc/08/59/43/174085943.db2.gz XODBGPGOCPLAQD-UHFFFAOYSA-N 1 0 257.337 2.081 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccccn1 ZINC000043342560 175015773 /nfs/dbraw/zinc/01/57/73/175015773.db2.gz POLSVNUPCGKKIU-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO N#Cc1c(F)cccc1O[C@@H](C[NH3+])c1cccnc1 ZINC000043351240 175019858 /nfs/dbraw/zinc/01/98/58/175019858.db2.gz RBMGJJYYUOPSPH-AWEZNQCLSA-N 1 0 257.268 2.171 10 30 CEEERO CCO[C@@H]1CCC[N@H+](Cc2sccc2C#CCO)C1 ZINC000043679885 175090342 /nfs/dbraw/zinc/09/03/42/175090342.db2.gz HLNWEPGSZRCGRD-CQSZACIVSA-N 1 0 279.405 2.093 10 30 CEEERO [NH3+]CC#Cc1ccsc1COc1ccc(CO)cc1 ZINC000043685400 175093940 /nfs/dbraw/zinc/09/39/40/175093940.db2.gz UDHPHSRXMNAPMF-UHFFFAOYSA-N 1 0 273.357 2.130 10 30 CEEERO CCCC(C#N)(CCC)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000044811131 175257998 /nfs/dbraw/zinc/25/79/98/175257998.db2.gz HWNUXACZVWWMDH-CQSZACIVSA-N 1 0 277.412 2.307 10 30 CEEERO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044825397 175259318 /nfs/dbraw/zinc/25/93/18/175259318.db2.gz KHOFDEDDUSOLFA-HZPDHXFCSA-N 1 0 287.407 2.071 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000045307107 175355842 /nfs/dbraw/zinc/35/58/42/175355842.db2.gz JDRAZPOTMWRTDA-ZNMIVQPWSA-N 1 0 267.417 2.156 10 30 CEEERO COC1CC[NH+](CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045310305 175356168 /nfs/dbraw/zinc/35/61/68/175356168.db2.gz RMNUHSUVHIWTKB-HNNXBMFYSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](CCOC)CC(C)C ZINC000045314977 175357131 /nfs/dbraw/zinc/35/71/31/175357131.db2.gz BJEFARILXZBCHO-OAHLLOKOSA-N 1 0 269.433 2.263 10 30 CEEERO CCO[C@@H]1CCC[N@H+](CCC[C@@](C)(C#N)NC2CC2)C1 ZINC000045320615 175358806 /nfs/dbraw/zinc/35/88/06/175358806.db2.gz OPGLLCTWRNWQTC-CVEARBPZSA-N 1 0 279.428 2.302 10 30 CEEERO CC(C)[NH2+][C@H]1CCCN(Cc2cccc(C#N)c2)C1=O ZINC000071041781 176027981 /nfs/dbraw/zinc/02/79/81/176027981.db2.gz MQNRIIVOIUBUCD-HNNXBMFYSA-N 1 0 271.364 2.047 10 30 CEEERO C[NH2+][C@H](C)c1ccccc1N(CCC#N)CCOC ZINC000071226158 176089448 /nfs/dbraw/zinc/08/94/48/176089448.db2.gz ADJHEYCYCCZIAU-CYBMUJFWSA-N 1 0 261.369 2.333 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000071322531 176122900 /nfs/dbraw/zinc/12/29/00/176122900.db2.gz LGIPSQJPJOKRLE-LNSITVRQSA-N 1 0 288.416 2.111 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000662630993 415912812 /nfs/dbraw/zinc/91/28/12/415912812.db2.gz OJWXEYGLVFGILC-ZFWWWQNUSA-N 1 0 250.386 2.333 10 30 CEEERO CCC[C@H](CC[NH3+])CCC(=O)N(C)[C@H](C)CC#N ZINC000079242177 177455039 /nfs/dbraw/zinc/45/50/39/177455039.db2.gz KLWAENQBKMWJIQ-OLZOCXBDSA-N 1 0 253.390 2.292 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)NC1CCOCC1 ZINC000127998521 264274705 /nfs/dbraw/zinc/27/47/05/264274705.db2.gz SGUQSRSMAJBXPC-HUUCEWRRSA-N 1 0 279.428 2.299 10 30 CEEERO CC1(C)CN(c2c(F)cc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000261578305 273584762 /nfs/dbraw/zinc/58/47/62/273584762.db2.gz DCFXDKDDWFXGAM-LBPRGKRZSA-N 1 0 265.307 2.400 10 30 CEEERO C[C@H]1CN(c2ccc(Br)cc2C#N)CC[NH2+]1 ZINC000161813544 274592639 /nfs/dbraw/zinc/59/26/39/274592639.db2.gz IIQJFRGMJCOTQH-VIFPVBQESA-N 1 0 280.169 2.119 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1sccc1C#N ZINC000176991987 276182215 /nfs/dbraw/zinc/18/22/15/276182215.db2.gz JSKJWYKYTNVEFF-LBPRGKRZSA-N 1 0 277.393 2.176 10 30 CEEERO Cc1cc(C#N)cc(NC[C@H]2[NH2+]CCCC2(C)C)n1 ZINC000235826982 280314952 /nfs/dbraw/zinc/31/49/52/280314952.db2.gz COBDCDDGBXXZIF-CYBMUJFWSA-N 1 0 258.369 2.452 10 30 CEEERO Cc1nc(N2CC[C@@H](C)C[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261572220 281934563 /nfs/dbraw/zinc/93/45/63/281934563.db2.gz AEDMWMGWBKDQJW-SKDRFNHKSA-N 1 0 278.787 2.479 10 30 CEEERO CCC1CCC(NC(NCCn2cc(C)cn2)=[NH+]C)CC1 ZINC000131497550 328491752 /nfs/dbraw/zinc/49/17/52/328491752.db2.gz CLFLBVFBGNZGBR-UHFFFAOYSA-N 1 0 291.443 2.325 10 30 CEEERO C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000189581831 329383538 /nfs/dbraw/zinc/38/35/38/329383538.db2.gz WOBJZLDBMHTKAW-WBVHZDCISA-N 1 0 296.455 2.452 10 30 CEEERO C[NH+]=C(NCC(=O)OC(C)(C)C)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261778283 329983024 /nfs/dbraw/zinc/98/30/24/329983024.db2.gz PXKJRJACZHHDSY-STQMWFEESA-N 1 0 295.427 2.026 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@H]1NC(=[NH2+])N(C)C1CC1 ZINC000262281978 330003608 /nfs/dbraw/zinc/00/36/08/330003608.db2.gz VUAXUMGSJSMIHO-ZBFHGGJFSA-N 1 0 273.380 2.134 10 30 CEEERO CC1=CCN(CCNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000262329743 330006356 /nfs/dbraw/zinc/00/63/56/330006356.db2.gz UUYMTWXRSJWBAK-UHFFFAOYSA-N 1 0 278.444 2.266 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262394101 330012518 /nfs/dbraw/zinc/01/25/18/330012518.db2.gz MRWHUCULFDTNBI-JXFSHQFZSA-N 1 0 292.427 2.047 10 30 CEEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@H](OC)C1(C)C ZINC000262443515 330013271 /nfs/dbraw/zinc/01/32/71/330013271.db2.gz UXYQYSGXVMIKCH-KBPBESRZSA-N 1 0 291.395 2.373 10 30 CEEERO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000262536869 330020231 /nfs/dbraw/zinc/02/02/31/330020231.db2.gz PZTVGWNEURUVDA-CABZTGNLSA-N 1 0 265.307 2.301 10 30 CEEERO [NH2+]=C(NC[C@H](O)c1ccc(Cl)s1)NCC1CCC1 ZINC000262553163 330020982 /nfs/dbraw/zinc/02/09/82/330020982.db2.gz ZRSDMBQWXDECQJ-VIFPVBQESA-N 1 0 287.816 2.139 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2COc3ccccc32)C1 ZINC000262621286 330023251 /nfs/dbraw/zinc/02/32/51/330023251.db2.gz CSYNOTMOJPAZQM-DGCLKSJQSA-N 1 0 259.353 2.167 10 30 CEEERO CCOc1ccc(CNC2=[NH+]C[C@@H](C)N2)cc1Cl ZINC000262636443 330023692 /nfs/dbraw/zinc/02/36/92/330023692.db2.gz GYYMQXVWVNFCMN-SECBINFHSA-N 1 0 267.760 2.176 10 30 CEEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)s1)NC(C)(C)C ZINC000262819407 330033936 /nfs/dbraw/zinc/03/39/36/330033936.db2.gz XTRMHHNWBQGSQB-MRVPVSSYSA-N 1 0 289.832 2.398 10 30 CEEERO [NH2+]=C(NC1CCC1)N[C@@H]1COc2cccc(Cl)c21 ZINC000263158107 330046522 /nfs/dbraw/zinc/04/65/22/330046522.db2.gz QFGCJTKFNCFZPZ-SNVBAGLBSA-N 1 0 265.744 2.230 10 30 CEEERO CCC1CCC(NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424107949 330234847 /nfs/dbraw/zinc/23/48/47/330234847.db2.gz ZNLPEAITWVHEFT-WXRRBKDZSA-N 1 0 251.374 2.093 10 30 CEEERO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000248901431 334321343 /nfs/dbraw/zinc/32/13/43/334321343.db2.gz HIVXONJWMPSKFY-UMVBOHGHSA-N 1 0 252.402 2.434 10 30 CEEERO C[C@@H]1CN(Cc2ccc(CC#N)cc2)C[C@H]1[NH+](C)C ZINC000343772918 335218800 /nfs/dbraw/zinc/21/88/00/335218800.db2.gz SXOSUUZXBBCCSK-CZUORRHYSA-N 1 0 257.381 2.135 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611639 520032643 /nfs/dbraw/zinc/03/26/43/520032643.db2.gz RSJMPDMXUGOXDI-HZPDHXFCSA-N 1 0 280.460 2.073 10 30 CEEERO C=C(Br)C[NH2+][C@@H](C)CN1CCCCC1 ZINC000049501429 518582879 /nfs/dbraw/zinc/58/28/79/518582879.db2.gz HTKKUHRRCZMNBY-NSHDSACASA-N 1 0 261.207 2.359 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1cccc2c1CC[C@H]2[NH2+]CC ZINC000062799550 518924598 /nfs/dbraw/zinc/92/45/98/518924598.db2.gz RXSAVUSCCLZDEY-SWLSCSKDSA-N 1 0 288.391 2.353 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611614 519735557 /nfs/dbraw/zinc/73/55/57/519735557.db2.gz SROOTCAULUTQDS-GOEBONIOSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613215 519735705 /nfs/dbraw/zinc/73/57/05/519735705.db2.gz UFSAITGYUNGBES-DOTOQJQBSA-N 1 0 294.487 2.461 10 30 CEEERO CC(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC#N ZINC000062732077 519747206 /nfs/dbraw/zinc/74/72/06/519747206.db2.gz YEROILRUDYIBOW-UHFFFAOYSA-N 1 0 263.297 2.243 10 30 CEEERO CC[NH2+]CCC(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000061291158 519918269 /nfs/dbraw/zinc/91/82/69/519918269.db2.gz SFNYSQGHZWBVQP-UHFFFAOYSA-N 1 0 251.717 2.150 10 30 CEEERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000061228989 519966455 /nfs/dbraw/zinc/96/64/55/519966455.db2.gz CNHYJRVCUWKYSL-VIFPVBQESA-N 1 0 265.744 2.396 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000068613020 520130686 /nfs/dbraw/zinc/13/06/86/520130686.db2.gz KXIDTVWWRAATRQ-OFQRWUPVSA-N 1 0 281.444 2.404 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000068614879 520225359 /nfs/dbraw/zinc/22/53/59/520225359.db2.gz MWDNEQYUPAUWPX-RDJZCZTQSA-N 1 0 292.471 2.217 10 30 CEEERO CCCOc1ccc([C@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000052920195 520424693 /nfs/dbraw/zinc/42/46/93/520424693.db2.gz KQBGMRXHQYXNOD-INIZCTEOSA-N 1 0 273.380 2.335 10 30 CEEERO CCC[C@@H](CC)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000050398577 520684693 /nfs/dbraw/zinc/68/46/93/520684693.db2.gz MWCWIZVSGUZDMO-CQSZACIVSA-N 1 0 276.355 2.444 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1cccc(C#CC[NH3+])c1 ZINC000069461726 521298721 /nfs/dbraw/zinc/29/87/21/521298721.db2.gz SGKGDZNARVZXGD-UHFFFAOYSA-N 1 0 258.365 2.257 10 30 CEEERO CCC(CC)C(=O)N(C)Cc1cccc(C#CC[NH3+])c1 ZINC000049586949 521483128 /nfs/dbraw/zinc/48/31/28/521483128.db2.gz RYTVMQNSULVXAF-UHFFFAOYSA-N 1 0 272.392 2.391 10 30 CEEERO C[NH+](C)C[C@H]1CCCN1C(=O)C1(C#N)CCCCCC1 ZINC000061645845 521862383 /nfs/dbraw/zinc/86/23/83/521862383.db2.gz UVMJWCYRBGQGGS-CQSZACIVSA-N 1 0 277.412 2.403 10 30 CEEERO CC[C@@H](C)C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587222 521918422 /nfs/dbraw/zinc/91/84/22/521918422.db2.gz FKXNHQALBCQOEO-CHWSQXEVSA-N 1 0 258.365 2.220 10 30 CEEERO C[NH2+][C@@H](C)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000054073384 522322069 /nfs/dbraw/zinc/32/20/69/522322069.db2.gz JNLHRTBLOVYMEX-ZETCQYMHSA-N 1 0 271.242 2.123 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1ccc(OC)c(C#CC[NH3+])c1 ZINC000049105856 522358552 /nfs/dbraw/zinc/35/85/52/522358552.db2.gz ZKCVSHSRDGJKBJ-OLZOCXBDSA-N 1 0 288.391 2.170 10 30 CEEERO C[NH2+][C@H]1COc2cc(OCc3cccnc3C#N)ccc21 ZINC000062804252 522507803 /nfs/dbraw/zinc/50/78/03/522507803.db2.gz GOFAMZXFDKEHCP-HNNXBMFYSA-N 1 0 281.315 2.185 10 30 CEEERO CC[C@H]1CCCC[C@@H]1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629640 523043508 /nfs/dbraw/zinc/04/35/08/523043508.db2.gz FOOCXHDWWBIYGY-HOCLYGCPSA-N 1 0 285.391 2.090 10 30 CEEERO C[N@H+](Cc1cccc(C#CCCO)c1)[C@@H]1CCSC1 ZINC000049617843 523291683 /nfs/dbraw/zinc/29/16/83/523291683.db2.gz VVJPSFVAQBHLEY-MRXNPFEDSA-N 1 0 275.417 2.358 10 30 CEEERO CC[C@@H]1CCC[C@H](NC(=O)c2ccc(C#CC[NH3+])cn2)C1 ZINC000068594050 523301893 /nfs/dbraw/zinc/30/18/93/523301893.db2.gz ZTBBYTCGQXCFHH-HIFRSBDPSA-N 1 0 285.391 2.090 10 30 CEEERO CC[C@H]1CO[C@@H](C)CN1Cc1ccc(C#CC[NH3+])cc1F ZINC000049609841 523342898 /nfs/dbraw/zinc/34/28/98/523342898.db2.gz UBSPZENYVWSQEJ-BBRMVZONSA-N 1 0 290.382 2.135 10 30 CEEERO CN(Cc1ccoc1)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000048911420 523472241 /nfs/dbraw/zinc/47/22/41/523472241.db2.gz XHHSIUSDZAHVFA-UHFFFAOYSA-N 1 0 286.306 2.001 10 30 CEEERO COc1ccc(C#CCCO)cc1C[N@H+](C)C(C)C ZINC000049616512 523511348 /nfs/dbraw/zinc/51/13/48/523511348.db2.gz SRQXBOAHOOXDRZ-UHFFFAOYSA-N 1 0 261.365 2.269 10 30 CEEERO CN(c1cc(C#N)c2ccccc2n1)[C@H]1CCC[NH2+]C1 ZINC000068771244 523631471 /nfs/dbraw/zinc/63/14/71/523631471.db2.gz DEPLCRXFPPZGAL-ZDUSSCGKSA-N 1 0 266.348 2.295 10 30 CEEERO COCC[N@H+](Cc1ccc(F)c(C#CCCO)c1)C1CC1 ZINC000049614241 523748039 /nfs/dbraw/zinc/74/80/39/523748039.db2.gz HQOWEKDZKRVNBN-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO COc1ccc(C[NH+]2CCCCC2)cc1C#CCCO ZINC000049616740 524025453 /nfs/dbraw/zinc/02/54/53/524025453.db2.gz UMZRUUQQVBQRPF-UHFFFAOYSA-N 1 0 273.376 2.415 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2cccc(C#CC[NH3+])c2)[C@@H]1C ZINC000050568518 524210853 /nfs/dbraw/zinc/21/08/53/524210853.db2.gz DCILYFILJAMUOC-ZIAGYGMSSA-N 1 0 270.376 2.257 10 30 CEEERO C[C@@H]1CC[N@H+](Cc2ccc(C#CCCO)cc2F)C1 ZINC000049613597 524509458 /nfs/dbraw/zinc/50/94/58/524509458.db2.gz UKTUWOQZOWCBEP-CYBMUJFWSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@H]([NH3+])Cc1cccc(OCc2cccnc2C#N)c1 ZINC000061659913 524834818 /nfs/dbraw/zinc/83/48/18/524834818.db2.gz RCKHXYOIMHDZPJ-LBPRGKRZSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@H](NC(=O)NC(C)(C)C)c1ccc(C#CC[NH3+])cc1 ZINC000049587416 525049392 /nfs/dbraw/zinc/04/93/92/525049392.db2.gz NKNJUWMQOHCRFH-LBPRGKRZSA-N 1 0 273.380 2.156 10 30 CEEERO Cc1ccc(C(=O)N(C)Cc2ccc(C#CC[NH3+])cc2)o1 ZINC000049586577 526059822 /nfs/dbraw/zinc/05/98/22/526059822.db2.gz YCBPFZSULKOJJU-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO Cc1cnc(SCCOc2ccc(C#CC[NH3+])cc2)nc1 ZINC000049612948 526100598 /nfs/dbraw/zinc/10/05/98/526100598.db2.gz JJFPIVDFPKDPJT-UHFFFAOYSA-N 1 0 299.399 2.266 10 30 CEEERO N#CCOc1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050944632 526475082 /nfs/dbraw/zinc/47/50/82/526475082.db2.gz MJYKLDNPCNXQIV-CYBMUJFWSA-N 1 0 287.363 2.450 10 30 CEEERO N#CC[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000055018615 526481805 /nfs/dbraw/zinc/48/18/05/526481805.db2.gz YYISJYYISLXNDV-HOCLYGCPSA-N 1 0 255.365 2.468 10 30 CEEERO N#Cc1cnc2ccccc2c1OC[C@@H]1CC[NH2+]C1 ZINC000051888704 526777549 /nfs/dbraw/zinc/77/75/49/526777549.db2.gz QETAPMOXIYCTBF-LLVKDONJSA-N 1 0 253.305 2.095 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1CN1CCCCCCC1=O ZINC000049610004 527146512 /nfs/dbraw/zinc/14/65/12/527146512.db2.gz AOEDMKISCDWEBO-UHFFFAOYSA-N 1 0 288.366 2.429 10 30 CEEERO Cc1ncsc1C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586774 527481548 /nfs/dbraw/zinc/48/15/48/527481548.db2.gz HAXSTTDBOCOAPE-LLVKDONJSA-N 1 0 299.399 2.253 10 30 CEEERO CC[NH2+][C@H](C)c1cc(F)ccc1N1CCO[C@H](C#N)C1 ZINC000093932625 535515820 /nfs/dbraw/zinc/51/58/20/535515820.db2.gz IHQXVYBYWZHCSC-DGCLKSJQSA-N 1 0 277.343 2.225 10 30 CEEERO N#Cc1sc(NCC[C@H]2CC[NH2+]C2)nc1Cl ZINC000236076491 625866974 /nfs/dbraw/zinc/86/69/74/625866974.db2.gz CRUUHLUYIYCMJW-SSDOTTSWSA-N 1 0 256.762 2.080 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccccc2C#N)C1 ZINC000255440983 624263202 /nfs/dbraw/zinc/26/32/02/624263202.db2.gz RLRPMHRAXSECSL-YDZSZYSISA-N 1 0 283.375 2.172 10 30 CEEERO C#CCOc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051993792 624725579 /nfs/dbraw/zinc/72/55/79/624725579.db2.gz COGAYEDXNPFYBG-HUUCEWRRSA-N 1 0 259.349 2.092 10 30 CEEERO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000236212706 625909754 /nfs/dbraw/zinc/90/97/54/625909754.db2.gz ZZUUSFZTVGJLIK-ZDUSSCGKSA-N 1 0 274.324 2.396 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 ZINC000261561022 628938328 /nfs/dbraw/zinc/93/83/28/628938328.db2.gz FRCZWDGKXOLQKL-LLVKDONJSA-N 1 0 264.760 2.103 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCS[C@@H](C(C)C)C1 ZINC000261853105 629282273 /nfs/dbraw/zinc/28/22/73/629282273.db2.gz YFMACMFHWDVGTJ-YNEHKIRRSA-N 1 0 269.458 2.434 10 30 CEEERO CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000168157646 639562509 /nfs/dbraw/zinc/56/25/09/639562509.db2.gz BQOPKNSZVUEMFB-AGIUHOORSA-N 1 0 279.384 2.278 10 30 CEEERO C#CCCCCC(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000179857999 641386616 /nfs/dbraw/zinc/38/66/16/641386616.db2.gz PWBAUHMPVURRBA-CQSZACIVSA-N 1 0 252.402 2.273 10 30 CEEERO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[N+](C)(C)CCO ZINC000002566571 717095254 /nfs/dbraw/zinc/09/52/54/717095254.db2.gz NFKLPTMMLYYXEQ-RRFJBIMHSA-N 1 0 286.436 2.059 10 30 CEEERO CN(CC1CC[NH+](C)CC1)c1cc(C#N)cc(Cl)n1 ZINC000122789538 721929828 /nfs/dbraw/zinc/92/98/28/721929828.db2.gz MWRFPABGGWUKHQ-UHFFFAOYSA-N 1 0 278.787 2.385 10 30 CEEERO C=C(Br)CN1CCC[C@H](C[NH2+]CC)C1 ZINC000082645865 178141887 /nfs/dbraw/zinc/14/18/87/178141887.db2.gz DHVZSYQJPYGWEQ-LLVKDONJSA-N 1 0 261.207 2.217 10 30 CEEERO Cc1nccc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000330100078 282185533 /nfs/dbraw/zinc/18/55/33/282185533.db2.gz DPLAOFDFDQKSKQ-GFCCVEGCSA-N 1 0 291.399 2.375 10 30 CEEERO CCCCCCCC[NH2+][C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000043273763 362142609 /nfs/dbraw/zinc/14/26/09/362142609.db2.gz VTMYOAKBQRZPSW-AWEZNQCLSA-O 1 0 273.441 2.486 10 30 CEEERO N#Cc1cc2c(nc1NC[C@@H]1CCCC[NH2+]1)CCCC2 ZINC000044493366 343472791 /nfs/dbraw/zinc/47/27/91/343472791.db2.gz MLFLSOWTKJICLO-AWEZNQCLSA-N 1 0 270.380 2.386 10 30 CEEERO N#Cc1cc(N2CCC[C@@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000127855151 365764848 /nfs/dbraw/zinc/76/48/48/365764848.db2.gz PGLOZFFTQLEDGR-NSHDSACASA-N 1 0 274.324 2.032 10 30 CEEERO C=C(C)C[NH2+]Cc1c(C(C)C)nn(C)c1N1CCOCC1 ZINC000119644670 344295886 /nfs/dbraw/zinc/29/58/86/344295886.db2.gz OANJBGPEUFPYQI-UHFFFAOYSA-N 1 0 292.427 2.046 10 30 CEEERO CCc1nnc(NC[C@@H]2CCCC[NH2+]2)c(C#N)c1CC ZINC000125480157 344319318 /nfs/dbraw/zinc/31/93/18/344319318.db2.gz UKRRKPPXCQYRNO-NSHDSACASA-N 1 0 273.384 2.027 10 30 CEEERO N#Cc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)cc1 ZINC000168294114 344480582 /nfs/dbraw/zinc/48/05/82/344480582.db2.gz DXMZMQBDRIAXQH-CQSZACIVSA-N 1 0 250.301 2.487 10 30 CEEERO C=CCOc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000170867349 344492109 /nfs/dbraw/zinc/49/21/09/344492109.db2.gz FHJFDVHGRPKWSH-AWEZNQCLSA-N 1 0 274.364 2.028 10 30 CEEERO N#Cc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)ccn1 ZINC000227361200 344552495 /nfs/dbraw/zinc/55/24/95/344552495.db2.gz VXXHPKXPIFZQKP-HOCLYGCPSA-N 1 0 271.364 2.080 10 30 CEEERO Cc1cc(C)c(C#N)c(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000050163779 362406970 /nfs/dbraw/zinc/40/69/70/362406970.db2.gz QNNANMDKWKBDFL-STQMWFEESA-N 1 0 258.369 2.370 10 30 CEEERO N#Cc1ccc(N[C@H]2CC[NH2+]C2)cc1C(F)(F)F ZINC000052093715 362464685 /nfs/dbraw/zinc/46/46/85/362464685.db2.gz QDFRUZSYEZYGNN-JTQLQIEISA-N 1 0 255.243 2.351 10 30 CEEERO CC[C@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@H]1[NH3+] ZINC000251595617 344636998 /nfs/dbraw/zinc/63/69/98/344636998.db2.gz CWMVCYKUHMNEKS-GXFFZTMASA-N 1 0 265.307 2.400 10 30 CEEERO CC[C@@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000252850012 344641725 /nfs/dbraw/zinc/64/17/25/344641725.db2.gz IPEXFMCDQABCTK-ZYHUDNBSSA-N 1 0 274.324 2.030 10 30 CEEERO CCO[C@@H]1CN(c2cc(Cl)ccc2C#N)C[C@H]1C[NH3+] ZINC000405562520 344884896 /nfs/dbraw/zinc/88/48/96/344884896.db2.gz DXOZIWXVULBCOH-BXUZGUMPSA-N 1 0 279.771 2.012 10 30 CEEERO N#C[C@@]1(N2CCC[NH2+]CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000085130527 178953110 /nfs/dbraw/zinc/95/31/10/178953110.db2.gz FWPFLEGEINJUAB-VXGBXAGGSA-N 1 0 275.318 2.297 10 30 CEEERO CC[C@@H]1CN(c2nc3c(cc2C#N)CCC3)[C@@H](CC)C[NH2+]1 ZINC000086466515 136512548 /nfs/dbraw/zinc/51/25/48/136512548.db2.gz RPQKQMJGWUDJGO-CABCVRRESA-N 1 0 284.407 2.409 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085370781 179040905 /nfs/dbraw/zinc/04/09/05/179040905.db2.gz UHTIDZCSANKLBH-KBPBESRZSA-N 1 0 273.336 2.045 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C[NH3+] ZINC000600960824 346719238 /nfs/dbraw/zinc/71/92/38/346719238.db2.gz DOIKHCZEJXDJOW-YPMHNXCESA-N 1 0 266.348 2.137 10 30 CEEERO CCc1nnc(N[C@@H](C)CCC[NH3+])c(C#N)c1CC ZINC000336809855 365846335 /nfs/dbraw/zinc/84/63/35/365846335.db2.gz GIXSTBYOOSLJSL-JTQLQIEISA-N 1 0 261.373 2.012 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(Br)c(F)c1 ZINC000086139881 179236459 /nfs/dbraw/zinc/23/64/59/179236459.db2.gz HNJXFIFSIOKGRZ-UHFFFAOYSA-N 1 0 287.132 2.302 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089108764 179704911 /nfs/dbraw/zinc/70/49/11/179704911.db2.gz BSGWAUDUUGHZOR-AAEUAGOBSA-N 1 0 281.363 2.431 10 30 CEEERO C[C@H](OCc1cccc(C#CC[NH3+])c1)C(F)(F)F ZINC000090673658 180021852 /nfs/dbraw/zinc/02/18/52/180021852.db2.gz XHWUWPREVJAVGQ-JTQLQIEISA-N 1 0 257.255 2.464 10 30 CEEERO N#Cc1ncccc1Cn1cc(CC[NH3+])c2ccccc21 ZINC000091004998 180084670 /nfs/dbraw/zinc/08/46/70/180084670.db2.gz MEKZIKYTQURLOO-UHFFFAOYSA-N 1 0 276.343 2.457 10 30 CEEERO N#Cc1cccc(Cn2cc(C[NH3+])c3cccnc32)c1 ZINC000091018724 180087331 /nfs/dbraw/zinc/08/73/31/180087331.db2.gz UZEWAXDHFWEZMK-UHFFFAOYSA-N 1 0 262.316 2.415 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091432833 180153734 /nfs/dbraw/zinc/15/37/34/180153734.db2.gz KLCOOPLBMVIEIH-PMPSAXMXSA-N 1 0 280.460 2.071 10 30 CEEERO CC[C@@H](NC(=O)c1ccncc1C#CC[NH3+])c1cccs1 ZINC000091462336 180162443 /nfs/dbraw/zinc/16/24/43/180162443.db2.gz XIQYXFIYOBVHKC-CQSZACIVSA-N 1 0 299.399 2.334 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091541339 180183723 /nfs/dbraw/zinc/18/37/23/180183723.db2.gz SWCZYULWIPAHGF-JSGCOSHPSA-N 1 0 289.354 2.173 10 30 CEEERO C[NH2+]C1CCC(Nc2nc3c(cc2C#N)CCC3)CC1 ZINC000091873401 180278052 /nfs/dbraw/zinc/27/80/52/180278052.db2.gz JEFSNVAVAYCEBP-UHFFFAOYSA-N 1 0 270.380 2.384 10 30 CEEERO CC[NH+]1CCC(O)([C@]2(C#N)CCOc3ccccc32)CC1 ZINC000091878289 180278923 /nfs/dbraw/zinc/27/89/23/180278923.db2.gz QINJMYJWELBDCU-INIZCTEOSA-N 1 0 286.375 2.077 10 30 CEEERO CC(C)C1CCC(C#N)([C@]2(O)CC[N@H+](C)C2)CC1 ZINC000091878790 180279010 /nfs/dbraw/zinc/27/90/10/180279010.db2.gz YAQMBZPKPFMHQN-NRXISQOPSA-N 1 0 250.386 2.409 10 30 CEEERO C[N@@H+]1CCC[C@@](O)([C@]2(C#N)CCOc3ccccc32)CC1 ZINC000091888260 180280861 /nfs/dbraw/zinc/28/08/61/180280861.db2.gz NBWPOYXLIOBWEY-IRXDYDNUSA-N 1 0 286.375 2.077 10 30 CEEERO CSc1ccccc1C(=O)Nc1cccc(C#CC[NH3+])n1 ZINC000092232667 180349142 /nfs/dbraw/zinc/34/91/42/180349142.db2.gz IYLKTPZUFBTWKW-UHFFFAOYSA-N 1 0 297.383 2.366 10 30 CEEERO C[C@@H](C#N)N1CC[NH+](C[C@H]2Cc3ccccc3S2)CC1 ZINC000092260820 180354194 /nfs/dbraw/zinc/35/41/94/180354194.db2.gz GKWFPHDOXDLPEC-DZGCQCFKSA-N 1 0 287.432 2.233 10 30 CEEERO CC[C@H](C#N)N1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092301685 180359348 /nfs/dbraw/zinc/35/93/48/180359348.db2.gz BNVMCJNIZFLPET-HUUCEWRRSA-N 1 0 285.391 2.082 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCc2sccc2[C@H]1C1CC1 ZINC000092474578 180394125 /nfs/dbraw/zinc/39/41/25/180394125.db2.gz CADMENJQGKFUPH-OAHLLOKOSA-N 1 0 276.405 2.360 10 30 CEEERO C#CC[NH2+]CC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000092492311 180397107 /nfs/dbraw/zinc/39/71/07/180397107.db2.gz PRPXYVZAAOMVFU-ZDUSSCGKSA-N 1 0 272.392 2.384 10 30 CEEERO CCCN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000110948168 186335818 /nfs/dbraw/zinc/33/58/18/186335818.db2.gz NLTXCIKQPQOHQE-CYBMUJFWSA-N 1 0 288.351 2.435 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccccc2CO)s1 ZINC000110994471 186341643 /nfs/dbraw/zinc/34/16/43/186341643.db2.gz WZYRJISKVSAMJZ-UHFFFAOYSA-N 1 0 273.357 2.130 10 30 CEEERO N#CCOc1ccccc1C[NH2+]CC1CCOCC1 ZINC000111157904 186361363 /nfs/dbraw/zinc/36/13/63/186361363.db2.gz ZMOKFOUQXARQFT-UHFFFAOYSA-N 1 0 260.337 2.105 10 30 CEEERO C[N@@H+](Cc1cccc(C#CCCO)c1)C[C@@H]1CCCOC1 ZINC000111168208 186363349 /nfs/dbraw/zinc/36/33/49/186363349.db2.gz VEPYTPYSJGYJLE-SFHVURJKSA-N 1 0 287.403 2.279 10 30 CEEERO CN[C@@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1 ZINC000111169221 186365308 /nfs/dbraw/zinc/36/53/08/186365308.db2.gz MPDAHCUAMVNVCJ-OAHLLOKOSA-N 1 0 267.417 2.017 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1 ZINC000111169187 186365710 /nfs/dbraw/zinc/36/57/10/186365710.db2.gz OXFGLIDSNZNDSB-INIZCTEOSA-N 1 0 281.444 2.407 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169155 186365862 /nfs/dbraw/zinc/36/58/62/186365862.db2.gz UZQDRUBPTYHQAX-HOTGVXAUSA-N 1 0 281.444 2.407 10 30 CEEERO Cc1nn(C)c(N2C[C@@H](CC[NH3+])c3ccccc32)c1C#N ZINC000111350703 186403602 /nfs/dbraw/zinc/40/36/02/186403602.db2.gz HGBJYKUSRHNXPR-GFCCVEGCSA-N 1 0 281.363 2.184 10 30 CEEERO CN(C(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccc(C#N)cc1 ZINC000111247165 186375658 /nfs/dbraw/zinc/37/56/58/186375658.db2.gz KITLNROJYXLVGN-ZDUSSCGKSA-N 1 0 297.280 2.063 10 30 CEEERO CC(C)C[NH2+]C[C@@H]1CCCN(Cc2cccnc2C#N)C1 ZINC000111700719 186447084 /nfs/dbraw/zinc/44/70/84/186447084.db2.gz GUZZAEGVNWJCDP-HNNXBMFYSA-N 1 0 286.423 2.411 10 30 CEEERO N#Cc1ncccc1CN1CCCC[C@@H]1C[NH2+]C1CC1 ZINC000111703667 186448175 /nfs/dbraw/zinc/44/81/75/186448175.db2.gz HCHDBKVXVVYORY-OAHLLOKOSA-N 1 0 270.380 2.060 10 30 CEEERO N#Cc1cc(F)c(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000132460361 187628655 /nfs/dbraw/zinc/62/86/55/187628655.db2.gz ZDLLPICFRVAZPS-MNOVXSKESA-N 1 0 263.291 2.167 10 30 CEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)C1 ZINC000675059407 540079475 /nfs/dbraw/zinc/07/94/75/540079475.db2.gz HKXCEQURFMXABB-RDBSUJKOSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1cc(Cl)ccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000174684906 283095470 /nfs/dbraw/zinc/09/54/70/283095470.db2.gz BZKVTZRCMDJMKD-AWEZNQCLSA-N 1 0 293.798 2.470 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000131012197 283097305 /nfs/dbraw/zinc/09/73/05/283097305.db2.gz KQBFDFLTYAXMCU-WDMOLILDSA-N 1 0 277.318 2.400 10 30 CEEERO N#Cc1cc2c(nc1N1CC[C@]3(CC[NH2+]C3)C1)CCCC2 ZINC000261698467 283116435 /nfs/dbraw/zinc/11/64/35/283116435.db2.gz NXCTXSRZPJOLEQ-KRWDZBQOSA-N 1 0 282.391 2.022 10 30 CEEERO C[NH2+]C[C@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337334 364266477 /nfs/dbraw/zinc/26/64/77/364266477.db2.gz KELIMYCCKTUFTR-SNVBAGLBSA-N 1 0 298.312 2.408 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094592232 364281779 /nfs/dbraw/zinc/28/17/79/364281779.db2.gz RQLYQUCNHNRFDT-SNVBAGLBSA-N 1 0 274.324 2.030 10 30 CEEERO C=CC[N@@H+](C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000105874546 364702355 /nfs/dbraw/zinc/70/23/55/364702355.db2.gz ODNKSGRGACYCSW-ZDUSSCGKSA-N 1 0 266.410 2.239 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCc1ccc(C#N)cc1 ZINC000113233353 364878829 /nfs/dbraw/zinc/87/88/29/364878829.db2.gz NTJNDKAUAJKDBB-RHSMWYFYSA-N 1 0 297.402 2.186 10 30 CEEERO C[C@@H](Nc1cccc(Br)c1C#N)[C@H](C)[NH3+] ZINC000335846310 365063086 /nfs/dbraw/zinc/06/30/86/365063086.db2.gz WNKBYGWYCKSWKE-JGVFFNPUSA-N 1 0 268.158 2.468 10 30 CEEERO C=CC[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000245425203 370818173 /nfs/dbraw/zinc/81/81/73/370818173.db2.gz SVBQNBMELNJIMF-OLZOCXBDSA-N 1 0 253.390 2.077 10 30 CEEERO CC[NH+]=C(NC[C@](C)(O)CC)N1C[C@@H]2CCCC[C@H]2C1 ZINC000245734903 260820402 /nfs/dbraw/zinc/82/04/02/260820402.db2.gz SSCOLNGTEJWQJV-OFQRWUPVSA-N 1 0 281.444 2.235 10 30 CEEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCC#N ZINC000076950797 284189236 /nfs/dbraw/zinc/18/92/36/284189236.db2.gz BLKAZAPJVQRJGY-AGIUHOORSA-N 1 0 250.342 2.096 10 30 CEEERO COc1cc(C[N@@H+]2CCC[C@@H]2CCCO)ccc1C#N ZINC000234976777 370551903 /nfs/dbraw/zinc/55/19/03/370551903.db2.gz VWDFTYLPKCNXBM-OAHLLOKOSA-N 1 0 274.364 2.304 10 30 CEEERO C=CC[NH+](CC=C)CC1(O)CCC(C(=O)OCC)CC1 ZINC000233681687 370520888 /nfs/dbraw/zinc/52/08/88/370520888.db2.gz JFHWZMZJNPYJOA-UHFFFAOYSA-N 1 0 281.396 2.145 10 30 CEEERO C=CCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246969169 371039545 /nfs/dbraw/zinc/03/95/45/371039545.db2.gz PXMALJMISFLSHS-KGLIPLIRSA-N 1 0 250.386 2.428 10 30 CEEERO C=CCCO[C@H](C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000253548065 371526842 /nfs/dbraw/zinc/52/68/42/371526842.db2.gz BMVMHGDBIKVVJC-ILXRZTDVSA-N 1 0 280.412 2.053 10 30 CEEERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000092955951 184637802 /nfs/dbraw/zinc/63/78/02/184637802.db2.gz UASWAJDJVZIFMX-BDAKNGLRSA-N 1 0 275.377 2.045 10 30 CEEERO N#Cc1ccc(O[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000093220045 184656953 /nfs/dbraw/zinc/65/69/53/184656953.db2.gz DMSRAEZVRPZPPX-WDEREUQCSA-N 1 0 261.281 2.115 10 30 CEEERO N#Cc1ccc(N[C@@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000094078617 184753999 /nfs/dbraw/zinc/75/39/99/184753999.db2.gz WRQBPOKWZQQZKB-SECBINFHSA-N 1 0 255.243 2.351 10 30 CEEERO Cc1cc(C(=O)N(C)C[C@H]2C[C@@H]2C)sc1C#CC[NH3+] ZINC000094536845 184814193 /nfs/dbraw/zinc/81/41/93/184814193.db2.gz SDEOZFYWXDDMSF-CMPLNLGQSA-N 1 0 276.405 2.095 10 30 CEEERO Cc1ccsc1CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000094883567 184886990 /nfs/dbraw/zinc/88/69/90/184886990.db2.gz ZMLHHQFZSFKYLD-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO CC#CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246659364 131096135 /nfs/dbraw/zinc/09/61/35/131096135.db2.gz KQQBFIZJUMXMOG-RISCZKNCSA-N 1 0 251.276 2.096 10 30 CEEERO Cc1ccc(C#N)c(N2CC[NH2+]CC23CCCCC3)n1 ZINC000088396701 135053950 /nfs/dbraw/zinc/05/39/50/135053950.db2.gz LDDQJPMEWSSUDX-UHFFFAOYSA-N 1 0 270.380 2.374 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)CCC2 ZINC000252868510 394574668 /nfs/dbraw/zinc/57/46/68/394574668.db2.gz RNVVLWUQAXQXGF-QEJZJMRPSA-N 1 0 282.391 2.006 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc(C#N)cn1 ZINC000083704201 394640693 /nfs/dbraw/zinc/64/06/93/394640693.db2.gz YYLDDEPZVJGRAO-GXTWGEPZSA-N 1 0 256.353 2.016 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)cc1 ZINC000083550772 394640810 /nfs/dbraw/zinc/64/08/10/394640810.db2.gz BTPOFVVQCLLREZ-XJKSGUPXSA-N 1 0 255.365 2.227 10 30 CEEERO C[C@H](C(=O)N[C@@H]1CCC[C@H]1C#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359672046 394770756 /nfs/dbraw/zinc/77/07/56/394770756.db2.gz JBETWZJMIISCRB-XHJNMGKDSA-N 1 0 263.385 2.056 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1nc2c(cc1C#N)CCC2 ZINC000156802508 395034000 /nfs/dbraw/zinc/03/40/00/395034000.db2.gz SPUKSMZOPSYFHJ-AWEZNQCLSA-N 1 0 272.396 2.252 10 30 CEEERO C[C@H]1CN(c2nc(Cl)c(C#N)s2)C[C@H]1[NH+](C)C ZINC000287712841 395046215 /nfs/dbraw/zinc/04/62/15/395046215.db2.gz DYWDYPMWDVJNLK-JGVFFNPUSA-N 1 0 270.789 2.054 10 30 CEEERO C[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccs1 ZINC000193182211 395403603 /nfs/dbraw/zinc/40/36/03/395403603.db2.gz XBIHXVKHGFCBAZ-HZMBPMFUSA-N 1 0 277.393 2.207 10 30 CEEERO Cc1nc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1C#N ZINC000261865215 153861947 /nfs/dbraw/zinc/86/19/47/153861947.db2.gz YFBRYEAKJSHNRV-HNNXBMFYSA-N 1 0 270.380 2.230 10 30 CEEERO CC(C)([NH3+])CNc1cccc(Br)c1C#N ZINC000165084970 162342063 /nfs/dbraw/zinc/34/20/63/162342063.db2.gz XQZWEBUVAYTBET-UHFFFAOYSA-N 1 0 268.158 2.470 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000169107619 165036717 /nfs/dbraw/zinc/03/67/17/165036717.db2.gz LWYKXSVBWCUPAI-ZJUUUORDSA-N 1 0 294.196 2.494 10 30 CEEERO C[N@H+](Cc1cccs1)Cc1ccc(/C(N)=N/O)cc1 ZINC000035717558 172370917 /nfs/dbraw/zinc/37/09/17/172370917.db2.gz YHPIYRZTKVQEDC-UHFFFAOYSA-N 1 0 275.377 2.475 10 30 CEEERO Cc1ccc(OCc2cccnc2)c(C#CC[NH3+])c1 ZINC000037548034 173264989 /nfs/dbraw/zinc/26/49/89/173264989.db2.gz YPDSQPKDPSKBKB-UHFFFAOYSA-N 1 0 252.317 2.279 10 30 CEEERO C#CCN1CCC([NH2+][C@@H](C)COc2ccc(C)cc2)CC1 ZINC000040499609 174296349 /nfs/dbraw/zinc/29/63/49/174296349.db2.gz RKPWTQXSVRYESY-INIZCTEOSA-N 1 0 286.419 2.450 10 30 CEEERO CC(C)[N@H+](CCCO)CCCOc1ccccc1C#N ZINC000042504181 174762217 /nfs/dbraw/zinc/76/22/17/174762217.db2.gz GCWUTJCICGQBHL-UHFFFAOYSA-N 1 0 276.380 2.420 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350413 175019646 /nfs/dbraw/zinc/01/96/46/175019646.db2.gz OSIKLBGVARYLKD-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@H]([NH3+])[C@H](N(CC)C[C@@H](C)C#N)C(F)(F)F ZINC000043378884 175030913 /nfs/dbraw/zinc/03/09/13/175030913.db2.gz ARCOJFPATWCKQR-GUBZILKMSA-N 1 0 251.296 2.136 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](N(CC)C[C@@H](C)C#N)C(F)(F)F ZINC000043378890 175031048 /nfs/dbraw/zinc/03/10/48/175031048.db2.gz ARCOJFPATWCKQR-IVZWLZJFSA-N 1 0 251.296 2.136 10 30 CEEERO [NH3+]CC#Cc1ccc(Cn2ccc(C(F)(F)F)n2)s1 ZINC000043684454 175092567 /nfs/dbraw/zinc/09/25/67/175092567.db2.gz JXSIFDKTVZWTLN-UHFFFAOYSA-N 1 0 285.294 2.322 10 30 CEEERO [NH3+]CC#Cc1ccc(Cn2c(=O)oc3ccccc32)s1 ZINC000043684311 175093172 /nfs/dbraw/zinc/09/31/72/175093172.db2.gz OZWFUOPUEWLGOO-UHFFFAOYSA-N 1 0 284.340 2.015 10 30 CEEERO CCc1c(C)nn(Cc2cc(C#CC[NH3+])cs2)c1C ZINC000043689205 175096319 /nfs/dbraw/zinc/09/63/19/175096319.db2.gz SRNRSUCMWMRDEH-UHFFFAOYSA-N 1 0 273.405 2.482 10 30 CEEERO Cc1c(C)n(C[C@H](C)[NH+]2CCCCC2)c(N)c1C#N ZINC000045006748 175288199 /nfs/dbraw/zinc/28/81/99/175288199.db2.gz DCWIICMVXJNRMS-NSHDSACASA-N 1 0 260.385 2.433 10 30 CEEERO CCCN[C@](C)(C#N)CC[NH+]1CCC(OCC)CC1 ZINC000045181556 175324829 /nfs/dbraw/zinc/32/48/29/175324829.db2.gz KHQGEJMXNSPSRA-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCCO[C@H]1CCC[N@H+](CC[C@@](C)(C#N)NCC)C1 ZINC000045183285 175325390 /nfs/dbraw/zinc/32/53/90/175325390.db2.gz QLXCPTBUDBMAIX-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO COCC[N@H+](CC[C@@](C)(C#N)NC1CC1)CC(C)C ZINC000045182041 175325549 /nfs/dbraw/zinc/32/55/49/175325549.db2.gz UPTIINWYKLIJAK-HNNXBMFYSA-N 1 0 267.417 2.015 10 30 CEEERO CC[C@H](C)[N@H+](CCOC)CC[C@@](C)(C#N)NC(C)C ZINC000045182724 175325878 /nfs/dbraw/zinc/32/58/78/175325878.db2.gz FWSQVZLRUJFSIU-GJZGRUSLSA-N 1 0 269.433 2.404 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](C)C1CCOCC1 ZINC000045311814 175356299 /nfs/dbraw/zinc/35/62/99/175356299.db2.gz BMVAEUQJUUERTC-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCOC1CC[NH+](CCCC[C@@](C)(C#N)NC)CC1 ZINC000045313059 175357173 /nfs/dbraw/zinc/35/71/73/175357173.db2.gz HECIEYQSJLHYQB-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](CCCOC)CCOC ZINC000045317022 175358002 /nfs/dbraw/zinc/35/80/02/175358002.db2.gz OUDGPQSUGWWIJY-MRXNPFEDSA-N 1 0 299.459 2.033 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[NH+](CCOC)CCOC ZINC000045318617 175358943 /nfs/dbraw/zinc/35/89/43/175358943.db2.gz JPLNGROOWNYYRD-MRXNPFEDSA-N 1 0 299.459 2.033 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000070578131 175993893 /nfs/dbraw/zinc/99/38/93/175993893.db2.gz CYFVTZFLIKETBF-MWLCHTKSSA-N 1 0 261.300 2.153 10 30 CEEERO C=C(Br)CSc1nnc(C[NH3+])n1CCC ZINC000070945108 176016273 /nfs/dbraw/zinc/01/62/73/176016273.db2.gz FEGDSXDTOOLYBT-UHFFFAOYSA-N 1 0 291.218 2.148 10 30 CEEERO C[C@H]1CCC[C@H]1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000071211008 176083148 /nfs/dbraw/zinc/08/31/48/176083148.db2.gz BTZDGBHXJDAJIQ-XHDPSFHLSA-N 1 0 274.339 2.054 10 30 CEEERO COCCN(CCC#N)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000071225959 176089818 /nfs/dbraw/zinc/08/98/18/176089818.db2.gz KAGKXQDOOHAMJX-LLVKDONJSA-N 1 0 265.332 2.212 10 30 CEEERO C=CCCOc1ccc(OC)cc1C[NH2+]CCOC ZINC000071274796 176106413 /nfs/dbraw/zinc/10/64/13/176106413.db2.gz BMGDSHUHYGUHQR-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2cccs2)s1 ZINC000071322671 176123044 /nfs/dbraw/zinc/12/30/44/176123044.db2.gz RIOPUMGMQWVRPQ-UHFFFAOYSA-N 1 0 276.386 2.050 10 30 CEEERO C[NH+](C)[C@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000071390123 176148315 /nfs/dbraw/zinc/14/83/15/176148315.db2.gz MRAOSFBEZJUXAT-AWEZNQCLSA-N 1 0 266.348 2.247 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[NH2+]CCC ZINC000071406229 176155637 /nfs/dbraw/zinc/15/56/37/176155637.db2.gz DBEDLXGCBWESIP-AWEZNQCLSA-N 1 0 288.391 2.011 10 30 CEEERO C=CCNC(=O)COc1ccc(C)cc1C[NH2+]CC(C)C ZINC000071407323 176156232 /nfs/dbraw/zinc/15/62/32/176156232.db2.gz YMMKLWVPGAORRQ-UHFFFAOYSA-N 1 0 290.407 2.422 10 30 CEEERO C#CCNC(=O)COc1ccc(C)cc1C[NH2+]C(C)(C)C ZINC000071407148 176156236 /nfs/dbraw/zinc/15/62/36/176156236.db2.gz SRYHMXKHBKJHMZ-UHFFFAOYSA-N 1 0 288.391 2.011 10 30 CEEERO Cc1ccncc1NC(=O)c1ccc(C#CC[NH3+])s1 ZINC000071414781 176160120 /nfs/dbraw/zinc/16/01/20/176160120.db2.gz HACLFWIUYAUENV-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO N#CCOc1cccc(C[NH2+]CC2(O)CCCCC2)c1 ZINC000078638423 177363198 /nfs/dbraw/zinc/36/31/98/177363198.db2.gz GCJYABWMOTXIJF-UHFFFAOYSA-N 1 0 274.364 2.374 10 30 CEEERO CC[NH2+]CC1CCN(c2cc(C)ncc2C#N)CC1 ZINC000398976158 266170941 /nfs/dbraw/zinc/17/09/41/266170941.db2.gz BQHUDOILRPPTBP-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1ncc(Br)cc1C#N ZINC000261553574 274632737 /nfs/dbraw/zinc/63/27/37/274632737.db2.gz OAQMFTNIDCNLJK-LDYMZIIASA-N 1 0 295.184 2.268 10 30 CEEERO CC1(C)CN(c2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261741015 276135376 /nfs/dbraw/zinc/13/53/76/276135376.db2.gz MAWDYABBGQEGLE-ZDUSSCGKSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H](C[NH3+])Nc1cccc(Br)c1C#N ZINC000165080402 279298375 /nfs/dbraw/zinc/29/83/75/279298375.db2.gz BPFHJADLDLAHKJ-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(=O)Nc1cccc(C#N)c1 ZINC000183202177 279497700 /nfs/dbraw/zinc/49/77/00/279497700.db2.gz VZPZXKFCHKGUPU-SLEUVZQESA-N 1 0 287.363 2.042 10 30 CEEERO N#CCCOCC[NH+]1CCC(c2nccs2)CC1 ZINC000338946926 327993046 /nfs/dbraw/zinc/99/30/46/327993046.db2.gz AHMWGQTZROBFRS-UHFFFAOYSA-N 1 0 265.382 2.253 10 30 CEEERO C[NH+]=C(NCc1ccco1)N(C)Cc1csc(C)n1 ZINC000155645754 327395494 /nfs/dbraw/zinc/39/54/94/327395494.db2.gz QRIWKQNJMORCIG-UHFFFAOYSA-N 1 0 278.381 2.252 10 30 CEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000392939806 329402324 /nfs/dbraw/zinc/40/23/24/329402324.db2.gz OLPCKOOWTQYRTN-IUODEOHRSA-N 1 0 274.364 2.008 10 30 CEEERO CCC1(CC)CCN(C(NCCn2cc(C)cn2)=[NH+]C)C1 ZINC000261671322 329976804 /nfs/dbraw/zinc/97/68/04/329976804.db2.gz CBPYQHSBSHUGFD-UHFFFAOYSA-N 1 0 291.443 2.279 10 30 CEEERO COCCNC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000261968205 329992060 /nfs/dbraw/zinc/99/20/60/329992060.db2.gz CEYKVTFRBDNPSS-UHFFFAOYSA-N 1 0 282.196 2.106 10 30 CEEERO CCO[C@@H]1C[C@@H](NC(NCC2CCC2)=[NH+]C)C12CCC2 ZINC000262353899 330007715 /nfs/dbraw/zinc/00/77/15/330007715.db2.gz FNMIJTHDDUXRAQ-ZIAGYGMSSA-N 1 0 279.428 2.299 10 30 CEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC(C)C ZINC000262416179 330008961 /nfs/dbraw/zinc/00/89/61/330008961.db2.gz QDYIMMBRRJJKQE-QMMMGPOBSA-N 1 0 275.805 2.008 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@@H]1[NH+]=C(N(C)C)N(C)C ZINC000262530011 330019749 /nfs/dbraw/zinc/01/97/49/330019749.db2.gz NDBNBMFEFZMQAK-GOEBONIOSA-N 1 0 275.396 2.204 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000247270878 334278550 /nfs/dbraw/zinc/27/85/50/334278550.db2.gz JWIUTXPBDACYQS-ZIAGYGMSSA-N 1 0 277.412 2.305 10 30 CEEERO C=CCCCCC[N@H+]1CCN(CCOC)[C@H](C)C1 ZINC000193336308 333248338 /nfs/dbraw/zinc/24/83/38/333248338.db2.gz BYTQBMSXQZKJLP-OAHLLOKOSA-N 1 0 254.418 2.385 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000068615009 520225550 /nfs/dbraw/zinc/22/55/50/520225550.db2.gz AMOXSLYHKSHNFI-XHSDSOJGSA-N 1 0 280.460 2.073 10 30 CEEERO CCC[C@@H](C)C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586486 520614098 /nfs/dbraw/zinc/61/40/98/520614098.db2.gz QKJOFZIBEPVLEK-CYBMUJFWSA-N 1 0 258.365 2.049 10 30 CEEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](n2cncn2)C1 ZINC000333353799 534257756 /nfs/dbraw/zinc/25/77/56/534257756.db2.gz BQKZMRVWAFRQFQ-SEBNEYGDSA-N 1 0 273.384 2.290 10 30 CEEERO C#CCOc1cc2c(cc1C[NH2+]C(C)(C)C)OCO2 ZINC000062733896 518318897 /nfs/dbraw/zinc/31/88/97/518318897.db2.gz GMKIKZZKOQQIMX-UHFFFAOYSA-N 1 0 261.321 2.315 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000060394150 518923253 /nfs/dbraw/zinc/92/32/53/518923253.db2.gz YCNTZIJNEGMICM-KGLIPLIRSA-N 1 0 260.381 2.461 10 30 CEEERO C=C[C@H](C)Oc1cc(C[NH2+]CCOC)ccc1OC ZINC000062732642 519300232 /nfs/dbraw/zinc/30/02/32/519300232.db2.gz CHDATXWMHOIHOK-LBPRGKRZSA-N 1 0 265.353 2.385 10 30 CEEERO CC(C)CC(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586832 519573990 /nfs/dbraw/zinc/57/39/90/519573990.db2.gz QQOMVSYUFXSDTM-UHFFFAOYSA-N 1 0 258.365 2.001 10 30 CEEERO CCC[NH2+]Cc1nccn1Cc1ccc(C#N)cc1 ZINC000051005094 519967917 /nfs/dbraw/zinc/96/79/17/519967917.db2.gz LRNYXFOYZHJKCC-UHFFFAOYSA-N 1 0 254.337 2.303 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613175 520103313 /nfs/dbraw/zinc/10/33/13/520103313.db2.gz HIYBRZDEMFDZRU-WBVHZDCISA-N 1 0 294.487 2.463 10 30 CEEERO CCCC[N@H+](CCO)Cc1ccc(F)c(C#CCCO)c1 ZINC000049614036 520523037 /nfs/dbraw/zinc/52/30/37/520523037.db2.gz UOIMOCAZEORSPG-UHFFFAOYSA-N 1 0 293.382 2.154 10 30 CEEERO CC1CC[NH+](CCOc2ccc(C#CCO)cc2)CC1 ZINC000049615534 521017685 /nfs/dbraw/zinc/01/76/85/521017685.db2.gz ONVUTEMDLLHCBC-UHFFFAOYSA-N 1 0 273.376 2.141 10 30 CEEERO CC1CC[NH+](Cc2ccc(C#CCO)cc2F)CC1 ZINC000049615545 521023737 /nfs/dbraw/zinc/02/37/37/521023737.db2.gz RGCUIAGNDPOASU-UHFFFAOYSA-N 1 0 261.340 2.401 10 30 CEEERO CC[NH+]1CCC(CNC(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061615300 521549478 /nfs/dbraw/zinc/54/94/78/521549478.db2.gz NPJHTTKMNGJVAN-INIZCTEOSA-N 1 0 285.391 2.142 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(CCCC[C@](C)(C#N)NC)CC1 ZINC000055070188 522119691 /nfs/dbraw/zinc/11/96/91/522119691.db2.gz FVTOQDVNMXNQMQ-HZPDHXFCSA-N 1 0 280.460 2.074 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(C[C@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069082463 522123188 /nfs/dbraw/zinc/12/31/88/522123188.db2.gz UGMIPXHNQFDNOG-WBVHZDCISA-N 1 0 292.471 2.073 10 30 CEEERO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049614736 523342302 /nfs/dbraw/zinc/34/23/02/523342302.db2.gz BXFXDQORZXAKEY-YJBOKZPZSA-N 1 0 287.403 2.420 10 30 CEEERO CN(Cc1ccccn1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609245 523397511 /nfs/dbraw/zinc/39/75/11/523397511.db2.gz VOSYYNSDRMYUQL-UHFFFAOYSA-N 1 0 283.350 2.163 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@H+](C)C1CCCC1 ZINC000049617542 523517683 /nfs/dbraw/zinc/51/76/83/523517683.db2.gz FSYPOVALPGIIKK-UHFFFAOYSA-N 1 0 273.376 2.413 10 30 CEEERO CC[C@H](C)[NH+]1CCN(CC[C@](C)(C#N)NC(C)C)CC1 ZINC000055070001 523954739 /nfs/dbraw/zinc/95/47/39/523954739.db2.gz XQGUVBNWBRQTGK-JKSUJKDBSA-N 1 0 280.460 2.073 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)[C@@H]1C ZINC000050568536 524209490 /nfs/dbraw/zinc/20/94/90/524209490.db2.gz XCMGYNHWYUXWQT-CHWSQXEVSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@H](NC(=O)Cc1ccsc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586686 524993268 /nfs/dbraw/zinc/99/32/68/524993268.db2.gz NNFBHTFIGRJSJQ-ZDUSSCGKSA-N 1 0 298.411 2.478 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1C#N ZINC000160405531 525085047 /nfs/dbraw/zinc/08/50/47/525085047.db2.gz XQVXSNSZTTVSLH-MLGOLLRUSA-N 1 0 273.355 2.366 10 30 CEEERO C[C@H]([NH2+]CCCOc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000183126462 525345111 /nfs/dbraw/zinc/34/51/11/525345111.db2.gz QSWXQMXSZVJINL-XJKSGUPXSA-N 1 0 274.364 2.484 10 30 CEEERO Cc1cnc(SCc2ccccc2C#CC[NH3+])nc1 ZINC000049612950 526102041 /nfs/dbraw/zinc/10/20/41/526102041.db2.gz YJECPXQCGZBSBO-UHFFFAOYSA-N 1 0 269.373 2.388 10 30 CEEERO C[C@H]1CCCC[N@@H+]1CCOc1cccc(C#CCO)c1 ZINC000049615711 526250665 /nfs/dbraw/zinc/25/06/65/526250665.db2.gz NOZRUAFARXWZHT-HNNXBMFYSA-N 1 0 273.376 2.284 10 30 CEEERO N#Cc1cc(COc2ccccc2CC[NH3+])ccn1 ZINC000068759085 526551226 /nfs/dbraw/zinc/55/12/26/526551226.db2.gz BORLUIPESMZKRQ-UHFFFAOYSA-N 1 0 253.305 2.033 10 30 CEEERO N#Cc1ccnc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000063190779 526760500 /nfs/dbraw/zinc/76/05/00/526760500.db2.gz IJXXVPUQCIYFCQ-KBPBESRZSA-N 1 0 256.353 2.064 10 30 CEEERO N#Cc1ccsc1NC(=O)CCC1CC[NH2+]CC1 ZINC000050950445 526769994 /nfs/dbraw/zinc/76/99/94/526769994.db2.gz QIRXUBNEQFFRIX-UHFFFAOYSA-N 1 0 263.366 2.338 10 30 CEEERO N/[NH+]=C(/NC1CCCCC1)c1ccc2c(c1)CCO2 ZINC000050892686 526816925 /nfs/dbraw/zinc/81/69/25/526816925.db2.gz VNWOWWWFUZYNRK-UHFFFAOYSA-N 1 0 259.353 2.164 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 ZINC000049549301 527148593 /nfs/dbraw/zinc/14/85/93/527148593.db2.gz WGULJHKAIWAZNE-UHFFFAOYSA-N 1 0 297.383 2.194 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)c2ccccc2F)c1 ZINC000049586512 527152819 /nfs/dbraw/zinc/15/28/19/527152819.db2.gz DXYVUCHMQQXZNB-UHFFFAOYSA-N 1 0 282.318 2.066 10 30 CEEERO [NH3+]CC#Cc1cccc(CSc2ncccn2)c1 ZINC000049611451 527153484 /nfs/dbraw/zinc/15/34/84/527153484.db2.gz ZWXWGFYHLYKKRW-UHFFFAOYSA-N 1 0 255.346 2.079 10 30 CEEERO [NH3+]CC#Cc1ccccc1NC(=O)CC[C@@H]1CCCCO1 ZINC000069399439 527155471 /nfs/dbraw/zinc/15/54/71/527155471.db2.gz QGWHAXFBJQUYFV-HNNXBMFYSA-N 1 0 286.375 2.285 10 30 CEEERO O=C(C#Cc1ccccc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000063189388 527663527 /nfs/dbraw/zinc/66/35/27/527663527.db2.gz KVAWWJBWZJGNJN-SJORKVTESA-N 1 0 282.387 2.171 10 30 CEEERO CCC[C@]1(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCOC1 ZINC000329255739 528527504 /nfs/dbraw/zinc/52/75/04/528527504.db2.gz BKAMXUYYIZPMIW-FMKPAKJESA-N 1 0 297.443 2.178 10 30 CEEERO CCC[NH2+][C@H](C)c1ccccc1N1CCO[C@H](C#N)C1 ZINC000093932701 535191931 /nfs/dbraw/zinc/19/19/31/535191931.db2.gz URSHLZQGLDCTOI-ZIAGYGMSSA-N 1 0 273.380 2.476 10 30 CEEERO Cc1nnc(NCc2ccc(CC[NH3+])cc2)c(C#N)c1C ZINC000125483980 649923848 /nfs/dbraw/zinc/92/38/48/649923848.db2.gz ODMUDRWFMLGZHR-UHFFFAOYSA-N 1 0 281.363 2.078 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCS[C@H](C(C)C)C1 ZINC000261852099 629281804 /nfs/dbraw/zinc/28/18/04/629281804.db2.gz YFMACMFHWDVGTJ-XQQFMLRXSA-N 1 0 269.458 2.434 10 30 CEEERO C=CCOc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000238042775 641425705 /nfs/dbraw/zinc/42/57/05/641425705.db2.gz SCGAPSZTNDLECU-DZGCQCFKSA-N 1 0 274.364 2.109 10 30 CEEERO CC1(C)CN(c2nc3c(cc2C#N)CCCC3)CC[NH2+]1 ZINC000212796470 652201603 /nfs/dbraw/zinc/20/16/03/652201603.db2.gz NPCACDQDEBSKTH-UHFFFAOYSA-N 1 0 270.380 2.020 10 30 CEEERO C=C[C@@](C)(O)C[N@H+](CCN(C)C)Cc1ccccc1C ZINC000036032318 361824414 /nfs/dbraw/zinc/82/44/14/361824414.db2.gz VJRGLTPPMFCFBJ-QGZVFWFLSA-N 1 0 276.424 2.296 10 30 CEEERO C=CCOC[C@@H](O)C[N@@H+](Cc1ccc(C)o1)C1CC1 ZINC000036097790 361827991 /nfs/dbraw/zinc/82/79/91/361827991.db2.gz LPFMGLHYKNAONX-AWEZNQCLSA-N 1 0 265.353 2.116 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1ccsc1)CC(C)C ZINC000036099233 361828439 /nfs/dbraw/zinc/82/84/39/361828439.db2.gz MIZXMZKLCZHHOM-OAHLLOKOSA-N 1 0 281.421 2.217 10 30 CEEERO CN(C(=O)C1CCC(C[NH3+])CC1)c1ccccc1C#N ZINC000097031722 185154931 /nfs/dbraw/zinc/15/49/31/185154931.db2.gz ILOXHLAIRYOTBT-UHFFFAOYSA-N 1 0 271.364 2.286 10 30 CEEERO C[C@@H](Nc1cccc(C#N)c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000126620475 187252222 /nfs/dbraw/zinc/25/22/22/187252222.db2.gz NRRPFFUGYKSIQI-ZYHUDNBSSA-N 1 0 274.324 2.266 10 30 CEEERO CC[NH2+]CC#CCCC(=O)[C@](O)(c1ccccc1)C1CC1 ZINC000013825123 343367188 /nfs/dbraw/zinc/36/71/88/343367188.db2.gz LTDDEAYUWSDABD-SFHVURJKSA-N 1 0 285.387 2.246 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)s1 ZINC000126700602 187256503 /nfs/dbraw/zinc/25/65/03/187256503.db2.gz JMYOTCUNXMMWFA-NWDGAFQWSA-N 1 0 261.394 2.288 10 30 CEEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000123990907 344312348 /nfs/dbraw/zinc/31/23/48/344312348.db2.gz YKCIRPJRSJEIIQ-KBPBESRZSA-N 1 0 263.385 2.061 10 30 CEEERO C#C[C@H]([NH2+]C)c1csc(I)c1 ZINC000130098298 344349895 /nfs/dbraw/zinc/34/98/95/344349895.db2.gz YMRHHJCLERWFEM-ZETCQYMHSA-N 1 0 277.130 2.246 10 30 CEEERO N#Cc1cccc(N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000227724697 344556359 /nfs/dbraw/zinc/55/63/59/344556359.db2.gz OONHXIHOWSSYOT-HNNXBMFYSA-N 1 0 264.332 2.016 10 30 CEEERO Cc1nc(NCCC2(C[NH3+])CC2)c(Cl)cc1C#N ZINC000404520985 344880712 /nfs/dbraw/zinc/88/07/12/344880712.db2.gz NFGFRYHNWCUWJR-UHFFFAOYSA-N 1 0 264.760 2.456 10 30 CEEERO C=CC[C@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000584594928 344961261 /nfs/dbraw/zinc/96/12/61/344961261.db2.gz FIWUDKLYVATXMX-SNVBAGLBSA-N 1 0 251.326 2.331 10 30 CEEERO COc1ccc2c(c1)CCCN2CC#CC[NH+](C)C ZINC000584624532 344967820 /nfs/dbraw/zinc/96/78/20/344967820.db2.gz RMSPJGYEYDBHDA-UHFFFAOYSA-N 1 0 258.365 2.013 10 30 CEEERO CC(C)(C#N)CC[NH+]1CCN(c2cccc(N)c2)CC1 ZINC000087592346 534988570 /nfs/dbraw/zinc/98/85/70/534988570.db2.gz CHNITMXFOFALHA-UHFFFAOYSA-N 1 0 272.396 2.331 10 30 CEEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1cc(F)ccc1F ZINC000591595240 345268334 /nfs/dbraw/zinc/26/83/34/345268334.db2.gz VYDIVVDSKSUHBN-ZANVPECISA-N 1 0 281.306 2.163 10 30 CEEERO N#Cc1cnccc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594698094 345674462 /nfs/dbraw/zinc/67/44/62/345674462.db2.gz VPKCGKONKPMFAJ-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO C=CCCSCC[NH2+]Cc1c(C)nn(C)c1OC ZINC000594959996 345717347 /nfs/dbraw/zinc/71/73/47/345717347.db2.gz HQUQHQJJFFPZSN-UHFFFAOYSA-N 1 0 269.414 2.136 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368234 179038024 /nfs/dbraw/zinc/03/80/24/179038024.db2.gz BVAHLOITYLDTFV-CVEARBPZSA-N 1 0 285.391 2.424 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1c(C#N)nnc2ccccc21 ZINC000600952266 346715708 /nfs/dbraw/zinc/71/57/08/346715708.db2.gz UIUGSXKYGCUHEH-WCQYABFASA-N 1 0 267.336 2.054 10 30 CEEERO C=C(Br)COc1ccc(C)nc1CC[NH3+] ZINC000085974735 179208016 /nfs/dbraw/zinc/20/80/16/179208016.db2.gz IAFLKDBOSGJVOA-UHFFFAOYSA-N 1 0 271.158 2.179 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000086081155 179227512 /nfs/dbraw/zinc/22/75/12/179227512.db2.gz UDROPVXCXLCAJU-OZVIIMIRSA-N 1 0 288.366 2.300 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000086081167 179227762 /nfs/dbraw/zinc/22/77/62/179227762.db2.gz UOTHYVLJBKRWEI-ZENOOKHLSA-N 1 0 270.376 2.161 10 30 CEEERO C=CC[NH2+]CCNCc1ccc(Br)s1 ZINC000086140051 179237032 /nfs/dbraw/zinc/23/70/32/179237032.db2.gz YKRFUGRAWVRHJO-UHFFFAOYSA-N 1 0 275.215 2.376 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC000128506408 187375347 /nfs/dbraw/zinc/37/53/47/187375347.db2.gz BYUFCRVERFGERX-LLVKDONJSA-N 1 0 272.377 2.343 10 30 CEEERO C#CC(C)(C)N1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C ZINC000086176195 179247249 /nfs/dbraw/zinc/24/72/49/179247249.db2.gz VVFJQGAWBFPKJA-HOCLYGCPSA-N 1 0 256.393 2.303 10 30 CEEERO Cc1nc(N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ccc1C#N ZINC000336836467 365905838 /nfs/dbraw/zinc/90/58/38/365905838.db2.gz KVRJHRNSJPERIC-DOMZBBRYSA-N 1 0 270.380 2.325 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)cc1 ZINC000086473659 179300449 /nfs/dbraw/zinc/30/04/49/179300449.db2.gz SFWQQFOPVYOOQS-LLVKDONJSA-N 1 0 280.169 2.307 10 30 CEEERO C=C(C)C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000616572496 348524233 /nfs/dbraw/zinc/52/42/33/348524233.db2.gz WIQOMKNNGGFLNJ-KGLIPLIRSA-N 1 0 262.328 2.045 10 30 CEEERO Cc1cc(C#N)cc(C)c1O[C@H](c1cnn(C)c1)[C@H](C)[NH3+] ZINC000088153603 179558217 /nfs/dbraw/zinc/55/82/17/179558217.db2.gz PCVDRJMOXWRDHZ-LRDDRELGSA-N 1 0 284.363 2.376 10 30 CEEERO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000130454941 365958321 /nfs/dbraw/zinc/95/83/21/365958321.db2.gz RDDKXLANRZAJET-OAHLLOKOSA-N 1 0 274.364 2.304 10 30 CEEERO N#C[C@H](C[NH2+]C[C@@H]1CCC[C@@H]1CO)c1ccccc1 ZINC000089498485 179804295 /nfs/dbraw/zinc/80/42/95/179804295.db2.gz KMSCAWPDHUEPDQ-ARFHVFGLSA-N 1 0 258.365 2.292 10 30 CEEERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000090336686 179966202 /nfs/dbraw/zinc/96/62/02/179966202.db2.gz PICMMOGJLHJWIC-TZMCWYRMSA-N 1 0 284.363 2.020 10 30 CEEERO N#Cc1ncccc1Cn1cc(C[NH3+])c2ccccc21 ZINC000090995062 180082633 /nfs/dbraw/zinc/08/26/33/180082633.db2.gz WTDBURCSOJGMQU-UHFFFAOYSA-N 1 0 262.316 2.415 10 30 CEEERO COCC[NH2+]Cc1cn(CCCCC#N)c2ncccc12 ZINC000091021216 180088831 /nfs/dbraw/zinc/08/88/31/180088831.db2.gz DLQCCFQWXOMMQE-UHFFFAOYSA-N 1 0 286.379 2.466 10 30 CEEERO CC[C@H](NC(=O)c1ccncc1C#CC[NH3+])c1cccs1 ZINC000091462332 180161997 /nfs/dbraw/zinc/16/19/97/180161997.db2.gz XIQYXFIYOBVHKC-AWEZNQCLSA-N 1 0 299.399 2.334 10 30 CEEERO C[NH+](C)[C@H]1CCCN(C(=O)C2(C#N)CCCCCC2)C1 ZINC000091393201 180145517 /nfs/dbraw/zinc/14/55/17/180145517.db2.gz NFLRMLZNSRXPDA-AWEZNQCLSA-N 1 0 277.412 2.403 10 30 CEEERO C[NH+](C)[C@H]1CCCN(Cc2cc(C#CCCO)cs2)C1 ZINC000091395610 180146509 /nfs/dbraw/zinc/14/65/09/180146509.db2.gz VYMJTCSGMFTRSY-HNNXBMFYSA-N 1 0 292.448 2.008 10 30 CEEERO Cc1cc(F)cc(NC(=O)c2cncc(C#CC[NH3+])c2)c1 ZINC000091517626 180177745 /nfs/dbraw/zinc/17/77/45/180177745.db2.gz IXNOVVCSGPXIOU-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091541341 180183660 /nfs/dbraw/zinc/18/36/60/180183660.db2.gz SWCZYULWIPAHGF-GXTWGEPZSA-N 1 0 289.354 2.173 10 30 CEEERO C#Cc1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000104989270 186037603 /nfs/dbraw/zinc/03/76/03/186037603.db2.gz NLNJOIHXIKACNS-INIZCTEOSA-N 1 0 283.375 2.370 10 30 CEEERO C=CCCC[C@H](O)C1([NH+]2CCOCC2)CCCC1 ZINC000091642794 180214354 /nfs/dbraw/zinc/21/43/54/180214354.db2.gz JALAZMKDDNHYMC-AWEZNQCLSA-N 1 0 253.386 2.349 10 30 CEEERO CC[C@H]([NH2+]C)c1ccn(Cc2cccnc2C#N)c1 ZINC000091816569 180262884 /nfs/dbraw/zinc/26/28/84/180262884.db2.gz UACFJGFRVHFTCS-AWEZNQCLSA-N 1 0 254.337 2.474 10 30 CEEERO N#Cc1nnc2ccccc2c1NC1CCC([NH3+])CC1 ZINC000091843578 180269202 /nfs/dbraw/zinc/26/92/02/180269202.db2.gz MWEKTCVVKJDENJ-UHFFFAOYSA-N 1 0 267.336 2.183 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092204416 180343679 /nfs/dbraw/zinc/34/36/79/180343679.db2.gz OQIQAPATIBURGR-CABCVRRESA-N 1 0 286.375 2.113 10 30 CEEERO Cc1nn(-c2cccc(C#N)c2)c(C)c1C[C@@H](C)[NH3+] ZINC000092319894 180361784 /nfs/dbraw/zinc/36/17/84/180361784.db2.gz YTUKEDNOZLMBRJ-SNVBAGLBSA-N 1 0 254.337 2.251 10 30 CEEERO CC(C)[C@H](CO)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000092393926 180375802 /nfs/dbraw/zinc/37/58/02/180375802.db2.gz XRINRZNBXCLARP-DOMZBBRYSA-N 1 0 262.353 2.256 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc(C#N)ccc1OC ZINC000130484030 365961388 /nfs/dbraw/zinc/96/13/88/365961388.db2.gz ZYNGMZDIDSSYRV-INIZCTEOSA-N 1 0 287.407 2.483 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(NC(=O)CC)ccc1C ZINC000092473824 180392951 /nfs/dbraw/zinc/39/29/51/180392951.db2.gz VJWNWDJDNTWJNR-UHFFFAOYSA-N 1 0 275.352 2.058 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)Cc1cccc(Cl)c1 ZINC000092473974 180393690 /nfs/dbraw/zinc/39/36/90/180393690.db2.gz QJBGULJMQCBVGR-LLVKDONJSA-N 1 0 266.772 2.163 10 30 CEEERO N#CCc1nc2ccccc2n1C[C@H]1CCC[NH2+]C1 ZINC000110952080 186336764 /nfs/dbraw/zinc/33/67/64/186336764.db2.gz OSHPWOQVAROBBR-LBPRGKRZSA-N 1 0 254.337 2.102 10 30 CEEERO CC[C@@H]1CN(Cc2ccc(C#CCCO)s2)CC[N@@H+]1C ZINC000110734607 186317931 /nfs/dbraw/zinc/31/79/31/186317931.db2.gz CJOLQZDFIMIHMW-CQSZACIVSA-N 1 0 292.448 2.008 10 30 CEEERO C[N@@H+](Cc1cccc(C#CCCO)c1)C[C@H]1CCCOC1 ZINC000111168211 186364422 /nfs/dbraw/zinc/36/44/22/186364422.db2.gz VEPYTPYSJGYJLE-GOSISDBHSA-N 1 0 287.403 2.279 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111267956 186382717 /nfs/dbraw/zinc/38/27/17/186382717.db2.gz HSSCFQYYDKRDAX-CJNGLKHVSA-N 1 0 288.391 2.065 10 30 CEEERO Cc1nnc(NC[C@H]2CCC[N@H+]2CC(C)C)c(C#N)c1C ZINC000131472001 366057296 /nfs/dbraw/zinc/05/72/96/366057296.db2.gz FNPWOJVVGWPQAV-CQSZACIVSA-N 1 0 287.411 2.497 10 30 CEEERO N#Cc1cc(Br)ccc1NCCC[NH3+] ZINC000132686084 366164289 /nfs/dbraw/zinc/16/42/89/366164289.db2.gz YFUZAECMOFXFOE-UHFFFAOYSA-N 1 0 254.131 2.081 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090323073 283092840 /nfs/dbraw/zinc/09/28/40/283092840.db2.gz MFYAECDVOCOBLJ-PHIMTYICSA-N 1 0 281.281 2.233 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)CCCC2 ZINC000262338282 283117089 /nfs/dbraw/zinc/11/70/89/283117089.db2.gz UAHOECFLJOJBDP-NUEKZKHPSA-N 1 0 296.418 2.396 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000228549154 283170875 /nfs/dbraw/zinc/17/08/75/283170875.db2.gz RZVDATHBUOZTDZ-OUCADQQQSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000252869697 283171847 /nfs/dbraw/zinc/17/18/47/283171847.db2.gz RZVDATHBUOZTDZ-OBJOEFQTSA-N 1 0 259.328 2.261 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180677429 189269502 /nfs/dbraw/zinc/26/95/02/189269502.db2.gz AJAYHIBSSXYSML-KBPBESRZSA-N 1 0 298.390 2.214 10 30 CEEERO C[C@@H]1CCC[N@@H+]1C1CCN(c2ncccc2C#N)CC1 ZINC000154956415 366799899 /nfs/dbraw/zinc/79/98/99/366799899.db2.gz YEZILVIOCUARLS-CYBMUJFWSA-N 1 0 270.380 2.406 10 30 CEEERO N#Cc1cccc(OCCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000090824802 364066700 /nfs/dbraw/zinc/06/67/00/364066700.db2.gz JAXAJNXWEIFULM-MRXNPFEDSA-N 1 0 285.391 2.107 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)ccc1C#N ZINC000092631251 364090363 /nfs/dbraw/zinc/09/03/63/364090363.db2.gz ZIBSMDRUKJCFKZ-AWEZNQCLSA-N 1 0 258.369 2.182 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C2(C#N)CCCCC2)C1 ZINC000158929850 366861353 /nfs/dbraw/zinc/86/13/53/366861353.db2.gz JWIUTXPBDACYQS-KGLIPLIRSA-N 1 0 277.412 2.305 10 30 CEEERO CC[C@@H]1CN(Cc2cc(C#N)cs2)CC[N@@H+]1CCOC ZINC000120969510 365505852 /nfs/dbraw/zinc/50/58/52/365505852.db2.gz DDEAIHZHYMTOSV-CQSZACIVSA-N 1 0 293.436 2.162 10 30 CEEERO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000120989268 365507411 /nfs/dbraw/zinc/50/74/11/365507411.db2.gz LJDBWESIGCUPOT-CQSZACIVSA-N 1 0 296.374 2.290 10 30 CEEERO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000245990862 370897181 /nfs/dbraw/zinc/89/71/81/370897181.db2.gz GGSVAJIQBCMZSJ-LSDHHAIUSA-N 1 0 275.396 2.143 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@]23CCC[C@H]2C[NH2+]C3)C1 ZINC000634771748 368876473 /nfs/dbraw/zinc/87/64/73/368876473.db2.gz HKWJCBXDEDMOFP-YCPHGPKFSA-N 1 0 262.397 2.191 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(C#N)cc1Cl ZINC000246790179 371009962 /nfs/dbraw/zinc/00/99/62/371009962.db2.gz RHCPLYPACIMUIS-JQWIXIFHSA-N 1 0 276.771 2.280 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1C#N ZINC000247781443 371141351 /nfs/dbraw/zinc/14/13/51/371141351.db2.gz XQVXSNSZTTVSLH-LRDDRELGSA-N 1 0 273.355 2.366 10 30 CEEERO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])c(C#N)n1)C(C)C ZINC000232657090 189817496 /nfs/dbraw/zinc/81/74/96/189817496.db2.gz TXPDAQKDHUEVMZ-UHFFFAOYSA-N 1 0 291.355 2.392 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000249581627 371341565 /nfs/dbraw/zinc/34/15/65/371341565.db2.gz RHKYPPUZIZBGJJ-QLFBSQMISA-N 1 0 281.421 2.083 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000251639337 371409959 /nfs/dbraw/zinc/40/99/59/371409959.db2.gz FURZVBKWKXNRDP-RISCZKNCSA-N 1 0 286.335 2.139 10 30 CEEERO C=C(Br)CN1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250517561 371385360 /nfs/dbraw/zinc/38/53/60/371385360.db2.gz IGRPDDFJSIMTRE-GHMZBOCLSA-N 1 0 259.191 2.111 10 30 CEEERO Cc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)cc1C#N ZINC000261752266 371719436 /nfs/dbraw/zinc/71/94/36/371719436.db2.gz NALJSJCLILSPHC-ZKYQVNSYSA-N 1 0 290.798 2.479 10 30 CEEERO N#Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)nc2ccccc12 ZINC000382461080 375185912 /nfs/dbraw/zinc/18/59/12/375185912.db2.gz WDOVROKVHOKJQQ-DGCLKSJQSA-N 1 0 266.348 2.068 10 30 CEEERO C[C@H](CCC[NH3+])Nc1ncc(Br)cc1C#N ZINC000309317952 376590597 /nfs/dbraw/zinc/59/05/97/376590597.db2.gz OIUMUJFSWBFVFS-MRVPVSSYSA-N 1 0 283.173 2.255 10 30 CEEERO N#Cc1ccc(COc2ccc(C[NH3+])nc2)c(F)c1 ZINC000094208165 184762738 /nfs/dbraw/zinc/76/27/38/184762738.db2.gz VIVGDCHNMBECFY-UHFFFAOYSA-N 1 0 257.268 2.130 10 30 CEEERO N#CCC1(C[NH+]2CCN(c3ccccc3N)CC2)CC1 ZINC000088255652 135053676 /nfs/dbraw/zinc/05/36/76/135053676.db2.gz CPUBQZAPXQQSAA-UHFFFAOYSA-N 1 0 270.380 2.085 10 30 CEEERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H](C)[NH2+]1 ZINC000094336447 135086508 /nfs/dbraw/zinc/08/65/08/135086508.db2.gz KZLWRAFEWYUUDS-RKDXNWHRSA-N 1 0 284.285 2.159 10 30 CEEERO C=CCN(Cc1cccs1)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000237993185 394493504 /nfs/dbraw/zinc/49/35/04/394493504.db2.gz ADSLMRZYASZQBZ-NWDGAFQWSA-N 1 0 264.394 2.390 10 30 CEEERO C[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C[NH3+] ZINC000253203873 394576404 /nfs/dbraw/zinc/57/64/04/394576404.db2.gz ZXTLMEYMDYKTSM-GXSJLCMTSA-N 1 0 298.312 2.393 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000048769988 394528304 /nfs/dbraw/zinc/52/83/04/394528304.db2.gz JQLDVNBDEVPJOX-CQSZACIVSA-N 1 0 272.352 2.164 10 30 CEEERO Cc1nc(N2CC[C@H](C)[C@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000261594331 394603444 /nfs/dbraw/zinc/60/34/44/394603444.db2.gz NLZKUFONIBXJDT-JOYOIKCWSA-N 1 0 278.787 2.336 10 30 CEEERO N#Cc1cc2c(nc1N1CC[C@H]3CC[C@@H](C1)[NH2+]3)CCCC2 ZINC000156372445 395032049 /nfs/dbraw/zinc/03/20/49/395032049.db2.gz UIFBYYWUDJTRPS-CABCVRRESA-N 1 0 282.391 2.163 10 30 CEEERO N#CCSCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000173887132 395116743 /nfs/dbraw/zinc/11/67/43/395116743.db2.gz BPVXMYRBTVXRMI-UHFFFAOYSA-N 1 0 278.425 2.242 10 30 CEEERO Cc1nc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c(Cl)cc1C#N ZINC000292557794 395198008 /nfs/dbraw/zinc/19/80/08/395198008.db2.gz JJKSCTMXQJQNGP-TVQRCGJNSA-N 1 0 278.787 2.301 10 30 CEEERO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000532749009 395461018 /nfs/dbraw/zinc/46/10/18/395461018.db2.gz VEBGZWFOJXTERO-DZGCQCFKSA-N 1 0 269.348 2.371 10 30 CEEERO C=CCC[C@H](O)C[N@@H+](C)C[C@H]1CC(c2ccccc2)=NO1 ZINC000104984840 400261780 /nfs/dbraw/zinc/26/17/80/400261780.db2.gz ASDYXGPDSLHJGF-JKSUJKDBSA-N 1 0 288.391 2.439 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ncc(Br)cc1C#N ZINC000261553571 153756854 /nfs/dbraw/zinc/75/68/54/153756854.db2.gz OAQMFTNIDCNLJK-GZMMTYOYSA-N 1 0 295.184 2.268 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000261555882 153757880 /nfs/dbraw/zinc/75/78/80/153757880.db2.gz QFUUMHXTOVDEKJ-KWQFWETISA-N 1 0 295.184 2.255 10 30 CEEERO Cc1nc(N[C@@H]2CCC[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261585920 153779265 /nfs/dbraw/zinc/77/92/65/153779265.db2.gz UCULEXLQQPWWJP-JOYOIKCWSA-N 1 0 264.760 2.454 10 30 CEEERO C[NH2+]C[C@H]1CCCN(c2nc(C)c(C#N)cc2Cl)C1 ZINC000261645506 153797442 /nfs/dbraw/zinc/79/74/42/153797442.db2.gz XNDJZPZTFPCPPI-LLVKDONJSA-N 1 0 278.787 2.351 10 30 CEEERO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131799003 162299325 /nfs/dbraw/zinc/29/93/25/162299325.db2.gz GMXFGFMOVMWQAR-GFCCVEGCSA-N 1 0 262.313 2.252 10 30 CEEERO Cc1ccsc1C(=O)Nc1ncc(C#CC[NH3+])s1 ZINC000037550754 173268888 /nfs/dbraw/zinc/26/88/88/173268888.db2.gz NFEIZZYIENSKCM-UHFFFAOYSA-N 1 0 277.374 2.076 10 30 CEEERO C[NH2+]CCCC(=O)Nc1ccc(C#N)cc1Br ZINC000037611296 173559336 /nfs/dbraw/zinc/55/93/36/173559336.db2.gz WRUUPPYBHNJXGO-UHFFFAOYSA-N 1 0 296.168 2.259 10 30 CEEERO N#Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000040746395 174391565 /nfs/dbraw/zinc/39/15/65/174391565.db2.gz YHRFMSLULVGEIX-FOSCPWQOSA-N 1 0 272.308 2.161 10 30 CEEERO CC[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000043234022 174986679 /nfs/dbraw/zinc/98/66/79/174986679.db2.gz FWWGLSHKHHGLQT-HUUCEWRRSA-N 1 0 270.336 2.149 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](c1cccnc1)[C@H](C)[NH3+] ZINC000043349282 175019195 /nfs/dbraw/zinc/01/91/95/175019195.db2.gz NIYCADBAJUGGOS-MEDUHNTESA-N 1 0 283.331 2.429 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1ccccc1C#N)c1cccnc1 ZINC000043349995 175019376 /nfs/dbraw/zinc/01/93/76/175019376.db2.gz IACNVTBZDNGTBS-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1cccnc1 ZINC000043350409 175019978 /nfs/dbraw/zinc/01/99/78/175019978.db2.gz OSIKLBGVARYLKD-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@H]([NH3+])[C@@H](N(CC)C[C@@H](C)C#N)C(F)(F)F ZINC000043378888 175030981 /nfs/dbraw/zinc/03/09/81/175030981.db2.gz ARCOJFPATWCKQR-LPEHRKFASA-N 1 0 251.296 2.136 10 30 CEEERO COCC[N@H+](Cc1sccc1C#CCO)[C@@H](C)C1CC1 ZINC000043682050 175091057 /nfs/dbraw/zinc/09/10/57/175091057.db2.gz SSJOFBNKOGEMIR-ZDUSSCGKSA-N 1 0 293.432 2.339 10 30 CEEERO CC(C)N(CCC#N)Cc1cc(C#CC[NH3+])cs1 ZINC000043689098 175095985 /nfs/dbraw/zinc/09/59/85/175095985.db2.gz HNDYRRHOHVHEPU-UHFFFAOYSA-N 1 0 261.394 2.182 10 30 CEEERO CN(Cc1cc(C#CC[NH3+])cs1)Cc1ccncc1 ZINC000043688930 175096075 /nfs/dbraw/zinc/09/60/75/175096075.db2.gz ONRANGIFHAZZIE-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO C[N@@H+]1CC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000044386116 175170004 /nfs/dbraw/zinc/17/00/04/175170004.db2.gz XORBVJGUDFIZHP-GFCCVEGCSA-N 1 0 252.321 2.222 10 30 CEEERO C=CCNC(=O)COc1ccc2c(c1)CCC[C@@H]2[NH2+]CC ZINC000044745552 175241878 /nfs/dbraw/zinc/24/18/78/175241878.db2.gz NFLRGRSXAHPMTF-INIZCTEOSA-N 1 0 288.391 2.355 10 30 CEEERO C[N@@H+]1CCC[C@@H](NC(=O)C2(C#N)CCCCCC2)C1 ZINC000044766108 175249388 /nfs/dbraw/zinc/24/93/88/175249388.db2.gz JGTTWPGNDVZKRW-CYBMUJFWSA-N 1 0 263.385 2.061 10 30 CEEERO C[C@@H](CNc1ccc(C#N)cc1N)[NH+]1CCCCC1 ZINC000044989247 175285593 /nfs/dbraw/zinc/28/55/93/175285593.db2.gz NLVXNCGEPVNLCF-LBPRGKRZSA-N 1 0 258.369 2.427 10 30 CEEERO C=C(Br)C[NH2+]CCCCn1ccnc1 ZINC000045107128 175308192 /nfs/dbraw/zinc/30/81/92/175308192.db2.gz HQDQDORRCWECDF-UHFFFAOYSA-N 1 0 258.163 2.162 10 30 CEEERO Cc1c(C)n(C[C@@H]2CC[N@@H+](C(C)C)C2)c(N)c1C#N ZINC000045136380 175313866 /nfs/dbraw/zinc/31/38/66/175313866.db2.gz CAICLJXCOCBJOK-CYBMUJFWSA-N 1 0 260.385 2.289 10 30 CEEERO CC(C)N[C@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000045182851 175325767 /nfs/dbraw/zinc/32/57/67/175325767.db2.gz GZPNHBBUBCCOJF-INIZCTEOSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](C)CCc1ccccn1 ZINC000045305997 175355534 /nfs/dbraw/zinc/35/55/34/175355534.db2.gz PHLZSZQFNIIBGT-MRXNPFEDSA-N 1 0 274.412 2.228 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[N@@H+]1CCCN(C)CC1 ZINC000045308401 175356791 /nfs/dbraw/zinc/35/67/91/175356791.db2.gz SGBBTSRAPAUARX-INIZCTEOSA-N 1 0 280.460 2.076 10 30 CEEERO COC[C@H](C)[N@H+](C)CCCC[C@@](C)(C#N)NC(C)C ZINC000045314660 175356932 /nfs/dbraw/zinc/35/69/32/175356932.db2.gz RRZNQKMTDPFBRK-GJZGRUSLSA-N 1 0 269.433 2.404 10 30 CEEERO COC[C@H](C)[N@H+](C)CCCC[C@@](C)(C#N)NC1CC1 ZINC000045314669 175357373 /nfs/dbraw/zinc/35/73/73/175357373.db2.gz DSSUUFGVHWKBPG-ZFWWWQNUSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@@H+]1CCOC(C)(C)C1 ZINC000045311951 175357478 /nfs/dbraw/zinc/35/74/78/175357478.db2.gz ODJXTHMWHYUXHL-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO COCCN(CCC#N)[C@@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000071222125 176087578 /nfs/dbraw/zinc/08/75/78/176087578.db2.gz WUIZMECIEUHQMK-GDBMZVCRSA-N 1 0 275.396 2.245 10 30 CEEERO COCCN(CCC#N)[C@@H](C[NH3+])c1ccc(Cl)cc1 ZINC000071222457 176088101 /nfs/dbraw/zinc/08/81/01/176088101.db2.gz BHTBYZIGOWIDEP-AWEZNQCLSA-N 1 0 281.787 2.202 10 30 CEEERO C=CCCOc1ccc(C[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000071274904 176106140 /nfs/dbraw/zinc/10/61/40/176106140.db2.gz LSHZMQCARMCEPF-UHFFFAOYSA-N 1 0 280.324 2.286 10 30 CEEERO CCCN(c1nc(C)cc(C)c1C#N)[C@@H]1CC[NH2+]C1 ZINC000071332677 176125752 /nfs/dbraw/zinc/12/57/52/176125752.db2.gz DOHKBVYEMHECRR-CYBMUJFWSA-N 1 0 258.369 2.148 10 30 CEEERO CN(C[C@H]1CC[N@H+](C)C1)c1nc(C(F)(F)F)ccc1C#N ZINC000078835847 177395937 /nfs/dbraw/zinc/39/59/37/177395937.db2.gz COCWYSLFVLRWEP-JTQLQIEISA-N 1 0 298.312 2.360 10 30 CEEERO Cc1c(C[NH2+]C[C@H]2Cc3ccccc3O2)cc(C#N)n1C ZINC000078877653 177399774 /nfs/dbraw/zinc/39/97/74/177399774.db2.gz WZRICPQIQBZPKM-MRXNPFEDSA-N 1 0 281.359 2.299 10 30 CEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000249880092 261259052 /nfs/dbraw/zinc/25/90/52/261259052.db2.gz NCULUHUDAHPRGQ-CHWSQXEVSA-N 1 0 293.436 2.322 10 30 CEEERO CC[C@@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000370059470 267286947 /nfs/dbraw/zinc/28/69/47/267286947.db2.gz IOYRIRNNBOSGMJ-JSGCOSHPSA-N 1 0 263.385 2.202 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)[C@H](C)C[NH2+]1 ZINC000086471052 274361176 /nfs/dbraw/zinc/36/11/76/274361176.db2.gz MYVUAOFYEAIUDG-VXGBXAGGSA-N 1 0 266.348 2.293 10 30 CEEERO Cc1nc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(Cl)cc1C#N ZINC000292557788 274842883 /nfs/dbraw/zinc/84/28/83/274842883.db2.gz JJKSCTMXQJQNGP-RNCFNFMXSA-N 1 0 278.787 2.301 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000124908959 274926395 /nfs/dbraw/zinc/92/63/95/274926395.db2.gz XCQCCYIKWOQACW-XQQFMLRXSA-N 1 0 286.335 2.030 10 30 CEEERO C[NH2+][C@@H]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000116942570 277296400 /nfs/dbraw/zinc/29/64/00/277296400.db2.gz PPQISAMMAYFZOP-SNVBAGLBSA-N 1 0 269.270 2.375 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000124870214 278305249 /nfs/dbraw/zinc/30/52/49/278305249.db2.gz GUHRFTRULZIGPO-SNVBAGLBSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000070175099 279420092 /nfs/dbraw/zinc/42/00/92/279420092.db2.gz ROPSMJXWBWSSOX-AAEUAGOBSA-N 1 0 270.380 2.006 10 30 CEEERO C[C@H]1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000261637923 279728632 /nfs/dbraw/zinc/72/86/32/279728632.db2.gz IVKOGRTUYMROPE-GWCFXTLKSA-N 1 0 274.324 2.030 10 30 CEEERO C=CCCO[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000175046384 329162327 /nfs/dbraw/zinc/16/23/27/329162327.db2.gz BMVMHGDBIKVVJC-RBSFLKMASA-N 1 0 280.412 2.053 10 30 CEEERO C[C@H](C#N)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400464389 329708370 /nfs/dbraw/zinc/70/83/70/329708370.db2.gz VQEMPZVOZPOCPL-FRRDWIJNSA-N 1 0 281.400 2.381 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261953158 329990960 /nfs/dbraw/zinc/99/09/60/329990960.db2.gz KGVLWVRKXVNKNV-CYBMUJFWSA-N 1 0 250.386 2.341 10 30 CEEERO Cc1sc(CNC(=[NH2+])N2CCO[C@H](C)C2)nc1C(C)C ZINC000262452657 330014016 /nfs/dbraw/zinc/01/40/16/330014016.db2.gz KDRZJFMRUKTFQT-SNVBAGLBSA-N 1 0 296.440 2.110 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@H](CC(C)C)C1 ZINC000262766562 330030204 /nfs/dbraw/zinc/03/02/04/330030204.db2.gz GEYMQJMGMUQOLR-JYJNAYRXSA-N 1 0 295.471 2.481 10 30 CEEERO COc1cccc(NC(=[NH2+])NC[C@@H]2CC23CCOCC3)c1 ZINC000262791335 330031844 /nfs/dbraw/zinc/03/18/44/330031844.db2.gz KTZYHKQSBGPBKK-LBPRGKRZSA-N 1 0 289.379 2.239 10 30 CEEERO [NH2+]=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCC1 ZINC000263050368 330040848 /nfs/dbraw/zinc/04/08/48/330040848.db2.gz DJUCOXSCOCWHQU-UHFFFAOYSA-N 1 0 282.731 2.205 10 30 CEEERO [NH2+]=C(N[C@H]1C[C@H](c2cc(F)cc(F)c2)C1)N1CCC1 ZINC000263135045 330045244 /nfs/dbraw/zinc/04/52/44/330045244.db2.gz NOLIMBWSCNUPEW-MJHDQNEOSA-N 1 0 265.307 2.231 10 30 CEEERO CCc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424068359 330219492 /nfs/dbraw/zinc/21/94/92/330219492.db2.gz RPFIYEAPCPAFBG-IUODEOHRSA-N 1 0 273.380 2.447 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000068616434 520033445 /nfs/dbraw/zinc/03/34/45/520033445.db2.gz RKHMRZXMFOYYAC-GOEBONIOSA-N 1 0 280.460 2.073 10 30 CEEERO COCCSCc1ccc(C#CC[NH3+])cc1F ZINC000049611511 521779141 /nfs/dbraw/zinc/77/91/41/521779141.db2.gz NBWQBXMURKKVOJ-UHFFFAOYSA-N 1 0 253.342 2.016 10 30 CEEERO CC(C)CN(CC[NH+](C)C)C[C@](C#N)(NC(C)C)C1CC1 ZINC000069079215 519716345 /nfs/dbraw/zinc/71/63/45/519716345.db2.gz SPXUTEGPKCECTM-KRWDZBQOSA-N 1 0 294.487 2.176 10 30 CEEERO CC(C)C[NH2+]Cc1cc(F)ccc1-n1cnc(C#N)n1 ZINC000062739009 519746785 /nfs/dbraw/zinc/74/67/85/519746785.db2.gz CDCILSCBBYDNIA-UHFFFAOYSA-N 1 0 273.315 2.024 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612943 520131535 /nfs/dbraw/zinc/13/15/35/520131535.db2.gz QEIJOGRRZNNTIH-GOEBONIOSA-N 1 0 280.460 2.073 10 30 CEEERO CCCCOCCOCc1cc(C#CC[NH3+])ccc1OC ZINC000049610897 520791324 /nfs/dbraw/zinc/79/13/24/520791324.db2.gz PKKIPZZEVBVSJH-UHFFFAOYSA-N 1 0 291.391 2.339 10 30 CEEERO CC[NH+](CC)[C@@H]1CCN([C@@H](C)C[C@@](C)(C#N)NC2CC2)C1 ZINC000068615886 520849497 /nfs/dbraw/zinc/84/94/97/520849497.db2.gz XVNOICJFFBBOSJ-UAGQMJEPSA-N 1 0 292.471 2.215 10 30 CEEERO CCC[C@@]1(C(=O)Nc2ccc(C#N)cc2)CC[NH2+]C1 ZINC000062889377 520943850 /nfs/dbraw/zinc/94/38/50/520943850.db2.gz OVEOSSFNVGIOGI-OAHLLOKOSA-N 1 0 257.337 2.277 10 30 CEEERO CC[C@H](C)[C@@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049105783 521816271 /nfs/dbraw/zinc/81/62/71/521816271.db2.gz ODKNKVDIZUZKGN-QWHCGFSZSA-N 1 0 258.365 2.161 10 30 CEEERO CC[C@H]([NH3+])Cc1nccn1Cc1ccc(C#N)cc1 ZINC000062803061 522337712 /nfs/dbraw/zinc/33/77/12/522337712.db2.gz HPEWMYJWCNJGKK-AWEZNQCLSA-N 1 0 254.337 2.083 10 30 CEEERO C[N@H+](Cc1ccc(F)c(C#CCO)c1)[C@H]1CCSC1 ZINC000049617841 523238083 /nfs/dbraw/zinc/23/80/83/523238083.db2.gz AKUHVDAWEGZUSV-AWEZNQCLSA-N 1 0 279.380 2.107 10 30 CEEERO CC[C@H]1CO[C@@H](C)CN1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609853 523342262 /nfs/dbraw/zinc/34/22/62/523342262.db2.gz FDIGPPOLTGVVHK-BBRMVZONSA-N 1 0 290.382 2.135 10 30 CEEERO COCC[NH2+]Cc1cc(Br)ccc1OCC#N ZINC000062730138 523948986 /nfs/dbraw/zinc/94/89/86/523948986.db2.gz RYGGROBBCVAOIN-UHFFFAOYSA-N 1 0 299.168 2.087 10 30 CEEERO CC[C@H](C)[NH+]1CCN(CC(=O)c2ccc(C#N)cc2)CC1 ZINC000055068214 523953303 /nfs/dbraw/zinc/95/33/03/523953303.db2.gz QKIORSMNWRGMLD-AWEZNQCLSA-N 1 0 285.391 2.157 10 30 CEEERO COc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1C#CCO ZINC000049615731 524026413 /nfs/dbraw/zinc/02/64/13/524026413.db2.gz RZHBAODKPVWIGG-AWEZNQCLSA-N 1 0 273.376 2.413 10 30 CEEERO COc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1C#CCO ZINC000049616062 524029683 /nfs/dbraw/zinc/02/96/83/524029683.db2.gz QGGHHWIAZAMYGF-AWEZNQCLSA-N 1 0 273.376 2.271 10 30 CEEERO Cc1cc(C(=O)NCc2ccc(C#CC[NH3+])cc2)c(C)o1 ZINC000049586318 524103640 /nfs/dbraw/zinc/10/36/40/524103640.db2.gz SFDCNZSYDASYOP-UHFFFAOYSA-N 1 0 282.343 2.137 10 30 CEEERO C[C@H]1CCC[C@@H](C[NH3+])N1C(=O)Nc1ccc(C#N)cc1 ZINC000070153080 524133552 /nfs/dbraw/zinc/13/35/52/524133552.db2.gz SCKLBZJFEQHQKO-FZMZJTMJSA-N 1 0 272.352 2.292 10 30 CEEERO Cc1cc(C)c(C#N)c(N2C[C@@H](C[NH3+])CC[C@@H]2C)n1 ZINC000070183394 524216665 /nfs/dbraw/zinc/21/66/65/524216665.db2.gz VOOLWHQRHOPPFN-QWHCGFSZSA-N 1 0 258.369 2.134 10 30 CEEERO C[C@H]1CC[N@H+](Cc2ccc(C#CCCO)cc2F)C1 ZINC000049613598 524295969 /nfs/dbraw/zinc/29/59/69/524295969.db2.gz UKTUWOQZOWCBEP-ZDUSSCGKSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@@H](C[NH+]1CCCC1)NCc1cc(C#N)ccc1F ZINC000049180282 524592829 /nfs/dbraw/zinc/59/28/29/524592829.db2.gz WBCZNZGXVDFUPH-LBPRGKRZSA-N 1 0 261.344 2.271 10 30 CEEERO C[C@@H]1CC[C@H](C[NH3+])CN1C(=O)Nc1cccc(C#N)c1 ZINC000070180856 524670473 /nfs/dbraw/zinc/67/04/73/524670473.db2.gz RLPQYWYHMUAIIY-DGCLKSJQSA-N 1 0 272.352 2.149 10 30 CEEERO C[C@@H](CNc1ccc(C#N)cc1N)C[NH+]1CCCC1 ZINC000062069949 524756111 /nfs/dbraw/zinc/75/61/11/524756111.db2.gz JLTCKLPQDGIIJJ-LBPRGKRZSA-N 1 0 258.369 2.284 10 30 CEEERO C[C@H](Cc1ccsc1)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049189266 524762191 /nfs/dbraw/zinc/76/21/91/524762191.db2.gz HKDUMHKTIMNJSN-CYBMUJFWSA-N 1 0 298.411 2.419 10 30 CEEERO COc1ccc(OCc2ccnc(C#N)c2)c(CC[NH3+])c1 ZINC000068759052 524974423 /nfs/dbraw/zinc/97/44/23/524974423.db2.gz FSOQJOVPLVFEJS-UHFFFAOYSA-N 1 0 283.331 2.042 10 30 CEEERO C[C@@H]([NH3+])[C@H](c1ccccn1)N(C)c1cccc(C#N)c1 ZINC000061950211 525018714 /nfs/dbraw/zinc/01/87/14/525018714.db2.gz LCNMJSBHZCVNNL-MLGOLLRUSA-N 1 0 266.348 2.478 10 30 CEEERO Cc1cc(SCc2ccc(C#CC[NH3+])cc2)n(C)n1 ZINC000052311586 525437766 /nfs/dbraw/zinc/43/77/66/525437766.db2.gz LBRUZGCXUYKDFI-UHFFFAOYSA-N 1 0 271.389 2.331 10 30 CEEERO N#Cc1ccc(F)c(CN2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000051360036 526637549 /nfs/dbraw/zinc/63/75/49/526637549.db2.gz JMMNJPSITALLAT-JKSUJKDBSA-N 1 0 273.355 2.414 10 30 CEEERO N#Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000050940110 526649329 /nfs/dbraw/zinc/64/93/29/526649329.db2.gz RNVJEYRBHOZUEM-UHFFFAOYSA-N 1 0 257.337 2.277 10 30 CEEERO N#Cc1ccccc1OCc1cccc(C#CC[NH3+])c1 ZINC000049610826 526747051 /nfs/dbraw/zinc/74/70/51/526747051.db2.gz FVOCCLOPQIUDKJ-UHFFFAOYSA-N 1 0 262.312 2.447 10 30 CEEERO Cc1oncc1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692008 526859575 /nfs/dbraw/zinc/85/95/75/526859575.db2.gz SSAWBMMQWRDUTK-UHFFFAOYSA-N 1 0 289.722 2.199 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)NC2CCCCC2)c1 ZINC000049587506 527152553 /nfs/dbraw/zinc/15/25/53/527152553.db2.gz UWIAMPRZDSKJKL-UHFFFAOYSA-N 1 0 285.391 2.129 10 30 CEEERO CCOc1cc(C=N/C2=[NH+]\CCCCCN2)ccc1O ZINC000226820214 535662263 /nfs/dbraw/zinc/66/22/63/535662263.db2.gz CRLALOYDABPXFR-WOJGMQOQSA-N 1 0 275.352 2.339 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)cc2Br)C[C@H]1[NH3+] ZINC000261532972 623324899 /nfs/dbraw/zinc/32/48/99/623324899.db2.gz FCTCPWVJPPXWQX-GZMMTYOYSA-N 1 0 280.169 2.104 10 30 CEEERO C[NH+](C)C[C@H](NC(=O)C#Cc1ccccc1)c1ccccc1 ZINC000175952189 623372092 /nfs/dbraw/zinc/37/20/92/623372092.db2.gz JKTUDFGJZAZBOU-SFHVURJKSA-N 1 0 292.382 2.457 10 30 CEEERO Cc1nc(N2CCCC[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261554068 623375259 /nfs/dbraw/zinc/37/52/59/623375259.db2.gz APWNNJPPJOENJL-LLVKDONJSA-N 1 0 264.760 2.233 10 30 CEEERO Cc1nc(N[C@H]2CCC[NH2+][C@@H]2C)c(Cl)cc1C#N ZINC000261566959 623380179 /nfs/dbraw/zinc/38/01/79/623380179.db2.gz IIZAIHMQBOILOF-SKDRFNHKSA-N 1 0 264.760 2.468 10 30 CEEERO COC(=O)[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000234551224 624161399 /nfs/dbraw/zinc/16/13/99/624161399.db2.gz ZWOHZKAYQAUBRQ-STQMWFEESA-N 1 0 266.385 2.447 10 30 CEEERO C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093216189 628603627 /nfs/dbraw/zinc/60/36/27/628603627.db2.gz CTGCCKVWLYFQBF-CHWSQXEVSA-N 1 0 266.385 2.435 10 30 CEEERO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061892070 639728221 /nfs/dbraw/zinc/72/82/21/639728221.db2.gz VQHLRPGGDAHGFX-UKRRQHHQSA-N 1 0 255.321 2.371 10 30 CEEERO N#Cc1cc2ccccc2nc1NC[C@H]([NH3+])C1CC1 ZINC000129307169 651907289 /nfs/dbraw/zinc/90/72/89/651907289.db2.gz ZKDQCORXQKDLIW-ZDUSSCGKSA-N 1 0 252.321 2.256 10 30 CEEERO C[C@]1(CNc2ccc(C#N)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC000129332101 651917775 /nfs/dbraw/zinc/91/77/75/651917775.db2.gz ZFMHSECYXJEHJW-AWEZNQCLSA-N 1 0 274.324 2.268 10 30 CEEERO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000130009813 652202535 /nfs/dbraw/zinc/20/25/35/652202535.db2.gz QDNXCDFNBBEWCP-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H](C[NH3+])C2)c(Br)c1 ZINC000214295678 652372172 /nfs/dbraw/zinc/37/21/72/652372172.db2.gz UWXBPOLOSGKEIV-NSHDSACASA-N 1 0 294.196 2.496 10 30 CEEERO C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000124863581 187158414 /nfs/dbraw/zinc/15/84/14/187158414.db2.gz YTWCNRVCYKWBAJ-PWSUYJOCSA-N 1 0 274.324 2.266 10 30 CEEERO CC1(CNc2cc(C#N)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000124908707 187161189 /nfs/dbraw/zinc/16/11/89/187161189.db2.gz KKSROCIYPZZZIS-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1cccc(C)c1)CC(C)C ZINC000036100427 361828400 /nfs/dbraw/zinc/82/84/00/361828400.db2.gz PXBCUDHAVCBPQP-SFHVURJKSA-N 1 0 289.419 2.464 10 30 CEEERO C=CCC[C@@H](O)C[N@@H+](C)C[C@H]1CC(c2ccccc2)=NO1 ZINC000036147304 361831375 /nfs/dbraw/zinc/83/13/75/361831375.db2.gz ASDYXGPDSLHJGF-HZPDHXFCSA-N 1 0 288.391 2.439 10 30 CEEERO CCCN(c1ccc([N+](=O)[O-])c(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000127850746 187337238 /nfs/dbraw/zinc/33/72/38/187337238.db2.gz WSNVLFFQSMZQKC-CYBMUJFWSA-N 1 0 274.324 2.045 10 30 CEEERO C#CC[N@@H+](CCC)[C@H]1COc2c(cccc2OC)C1 ZINC000038600304 343434211 /nfs/dbraw/zinc/43/42/11/343434211.db2.gz JHYWERUDKHLBRS-CQSZACIVSA-N 1 0 259.349 2.344 10 30 CEEERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccnc(C#N)c1 ZINC000251755342 344637496 /nfs/dbraw/zinc/63/74/96/344637496.db2.gz LMXYIOCQBKUJEI-CJNGLKHVSA-N 1 0 270.380 2.012 10 30 CEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ncc(Br)cc1C#N ZINC000320949429 344752787 /nfs/dbraw/zinc/75/27/87/344752787.db2.gz UNCROSXYYMHJER-HTQZYQBOSA-N 1 0 283.173 2.253 10 30 CEEERO COc1cccc2c1N(CC#CC[NH+](C)C)CCC2 ZINC000584624513 344967830 /nfs/dbraw/zinc/96/78/30/344967830.db2.gz QXFAAUACUJRUGU-UHFFFAOYSA-N 1 0 258.365 2.013 10 30 CEEERO CCCOCC#CC[NH2+]CCOc1ccccc1OC ZINC000584624550 344968424 /nfs/dbraw/zinc/96/84/24/344968424.db2.gz UJKBNKOUVZAXLG-UHFFFAOYSA-N 1 0 277.364 2.094 10 30 CEEERO C[NH2+]CCC/N=C/c1cc(Br)ccc1O ZINC000584635531 344970606 /nfs/dbraw/zinc/97/06/06/344970606.db2.gz VAZRAFNBZZAAQA-RIYZIHGNSA-N 1 0 271.158 2.183 10 30 CEEERO COC[C@H](C)[N@H+](C)[C@@H](C)C[C@@](C)(C#N)NC(C)C ZINC000084293301 178844935 /nfs/dbraw/zinc/84/49/35/178844935.db2.gz NSKZVBFUMHXWRP-IHRRRGAJSA-N 1 0 255.406 2.012 10 30 CEEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)c1cccs1 ZINC000594426972 345626440 /nfs/dbraw/zinc/62/64/40/345626440.db2.gz UDZADFUZMBVFKW-GHMZBOCLSA-N 1 0 265.382 2.337 10 30 CEEERO N#Cc1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000594693038 345673334 /nfs/dbraw/zinc/67/33/34/345673334.db2.gz JBKILOCXZFFHAC-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO C=C(CC)C[C@H](C[C@@H]1CCS(=O)(=O)C1)[NH2+]CC ZINC000097284129 185578563 /nfs/dbraw/zinc/57/85/63/185578563.db2.gz QBFFAICOJMSKRT-QWHCGFSZSA-N 1 0 259.415 2.146 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085373718 179042909 /nfs/dbraw/zinc/04/29/09/179042909.db2.gz GXIOAZXLTOYSBW-OLZOCXBDSA-N 1 0 257.337 2.323 10 30 CEEERO C=CCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1C1CC1 ZINC000085489660 179081426 /nfs/dbraw/zinc/08/14/26/179081426.db2.gz FMKVBHXFQOMWQV-IAGOWNOFSA-N 1 0 256.393 2.468 10 30 CEEERO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1C#N ZINC000599437540 346520107 /nfs/dbraw/zinc/52/01/07/346520107.db2.gz SFCYXRVIXTZKKY-USXIJHARSA-N 1 0 270.376 2.460 10 30 CEEERO COC[C@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1F ZINC000049613813 522595501 /nfs/dbraw/zinc/59/55/01/522595501.db2.gz JCRSWYFJXZQSQD-ZDUSSCGKSA-N 1 0 279.355 2.026 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000600955841 346716739 /nfs/dbraw/zinc/71/67/39/346716739.db2.gz SEKNOZRHHIUDGC-BXKDBHETSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1cc(N2CCCCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000600959481 346718589 /nfs/dbraw/zinc/71/85/89/346718589.db2.gz XVEAUXMMUWFZAQ-LBPRGKRZSA-N 1 0 274.324 2.174 10 30 CEEERO N#Cc1cccc(NCC[C@@H]([NH3+])Cc2ccccc2)n1 ZINC000600960526 346718672 /nfs/dbraw/zinc/71/86/72/346718672.db2.gz DQRSGHABNQSMRS-CQSZACIVSA-N 1 0 266.348 2.325 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000336815815 365858120 /nfs/dbraw/zinc/85/81/20/365858120.db2.gz JCAIRBVFNBQMDU-NSHDSACASA-N 1 0 258.369 2.371 10 30 CEEERO C#CCOc1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1 ZINC000128472781 187371869 /nfs/dbraw/zinc/37/18/69/187371869.db2.gz BSKBLSKKVIPENQ-MRXNPFEDSA-N 1 0 295.386 2.422 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCN(C3CC3)C2)C1 ZINC000086037743 179221583 /nfs/dbraw/zinc/22/15/83/179221583.db2.gz FDBJHQDWMHQOSP-KLHKWILBSA-N 1 0 281.403 2.437 10 30 CEEERO CN1CCC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC000086037432 179221735 /nfs/dbraw/zinc/22/17/35/179221735.db2.gz QQYPPRVFXYYEHW-KLAILNCOSA-N 1 0 269.392 2.294 10 30 CEEERO CC[C@@H]1CN(C(=O)c2cccc(C#N)c2)[C@H](CC)C[NH2+]1 ZINC000086446691 179294945 /nfs/dbraw/zinc/29/49/45/179294945.db2.gz UKAIUXQPWIMYTO-HUUCEWRRSA-N 1 0 271.364 2.161 10 30 CEEERO C#CCC[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000086506851 179302782 /nfs/dbraw/zinc/30/27/82/179302782.db2.gz GHWSOZXLFFTICX-UHFFFAOYSA-N 1 0 263.362 2.293 10 30 CEEERO COC[C@@H]([NH2+]Cc1cccc(OCC#N)c1)C(C)C ZINC000086683544 179319738 /nfs/dbraw/zinc/31/97/38/179319738.db2.gz OWGDEZQRTMVEQO-OAHLLOKOSA-N 1 0 262.353 2.350 10 30 CEEERO C=C(Br)COc1ccc(C[C@H](C)[NH3+])nc1 ZINC000086795480 179335805 /nfs/dbraw/zinc/33/58/05/179335805.db2.gz SBEZXWRDQVGZCM-VIFPVBQESA-N 1 0 271.158 2.259 10 30 CEEERO CC(C)[C@@H](C[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000087406076 179419875 /nfs/dbraw/zinc/41/98/75/179419875.db2.gz BVDQAICGLARWOV-CQSZACIVSA-N 1 0 258.369 2.227 10 30 CEEERO C=CC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089146897 179722724 /nfs/dbraw/zinc/72/27/24/179722724.db2.gz KUPFLEFPSHOJNS-NEPJUHHUSA-N 1 0 254.374 2.455 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1F ZINC000404150980 233192536 /nfs/dbraw/zinc/19/25/36/233192536.db2.gz MCRPKQSZSUSBPB-UKRRQHHQSA-N 1 0 262.328 2.338 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1F ZINC000404162553 233193312 /nfs/dbraw/zinc/19/33/12/233193312.db2.gz QUHUJZAZRAXGBV-RRFJBIMHSA-N 1 0 274.339 2.290 10 30 CEEERO N#Cc1cc(Cl)ccc1N[C@@H]1[C@H]([NH3+])[C@H]2CCCO[C@@H]21 ZINC000090319607 179956754 /nfs/dbraw/zinc/95/67/54/179956754.db2.gz QPDFKIHWRIHRCB-ZRJCITRHSA-N 1 0 277.755 2.128 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@]1(C)COC[C@@H]1[NH3+] ZINC000090589685 180009981 /nfs/dbraw/zinc/00/99/81/180009981.db2.gz AEMNADLUUQSHEZ-DZGCQCFKSA-N 1 0 292.404 2.267 10 30 CEEERO C[C@@H](OCCOc1ccc(C#CC[NH3+])cc1)C(F)(F)F ZINC000090673661 180021867 /nfs/dbraw/zinc/02/18/67/180021867.db2.gz WVGNENDYZGBAQQ-LLVKDONJSA-N 1 0 287.281 2.343 10 30 CEEERO C#CCNC(=O)CSc1cccc(C[NH2+]CC(C)C)c1 ZINC000090872854 180050246 /nfs/dbraw/zinc/05/02/46/180050246.db2.gz CRMSWXRPCQQHJR-UHFFFAOYSA-N 1 0 290.432 2.274 10 30 CEEERO CC[C@@H](C#N)N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090977022 180079057 /nfs/dbraw/zinc/07/90/57/180079057.db2.gz XJEKRYNLXSZPAN-CVEARBPZSA-N 1 0 269.392 2.246 10 30 CEEERO CC[C@@H]([NH3+])Cc1cccn1Cc1ccnc(C#N)c1 ZINC000091005558 180084497 /nfs/dbraw/zinc/08/44/97/180084497.db2.gz KJGKUGMOUUPQOT-CYBMUJFWSA-N 1 0 254.337 2.083 10 30 CEEERO C[C@H]([NH3+])Cc1cccn1Cc1ccc(C#N)cc1F ZINC000091005297 180084523 /nfs/dbraw/zinc/08/45/23/180084523.db2.gz OVIOJUJVNFEZED-NSHDSACASA-N 1 0 257.312 2.437 10 30 CEEERO Cc1ccc(NC(=O)c2ccncc2C#CC[NH3+])cc1F ZINC000091461066 180161233 /nfs/dbraw/zinc/16/12/33/180161233.db2.gz LPMQZFVHXFOLRQ-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO Cc1cc(F)ccc1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091461099 180161833 /nfs/dbraw/zinc/16/18/33/180161833.db2.gz FMCBQLAPKGHXPE-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO Cc1sc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c(C#N)c1C ZINC000091542477 180184234 /nfs/dbraw/zinc/18/42/34/180184234.db2.gz ODIZOTXKUNPTDJ-ZJUUUORDSA-N 1 0 263.366 2.303 10 30 CEEERO CCN(CC)C(=O)Nc1ccc(C)cc1C#CC[NH3+] ZINC000091962365 180293175 /nfs/dbraw/zinc/29/31/75/180293175.db2.gz XOPVSCKFEKAFNV-UHFFFAOYSA-N 1 0 259.353 2.179 10 30 CEEERO C[NH2+]C1CCC(N(C)C(=O)c2cccc(C#N)c2)CC1 ZINC000091872138 180277864 /nfs/dbraw/zinc/27/78/64/180277864.db2.gz XSSXDQKYUABDON-UHFFFAOYSA-N 1 0 271.364 2.161 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000105785500 186072000 /nfs/dbraw/zinc/07/20/00/186072000.db2.gz OGCFMLMLHYDRBC-UHFFFAOYSA-N 1 0 259.353 2.001 10 30 CEEERO C=C(Cl)C[N@H+]1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105919929 186088565 /nfs/dbraw/zinc/08/85/65/186088565.db2.gz RFXWPRHJXHPYNT-CYBMUJFWSA-N 1 0 268.792 2.359 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000106035684 186099439 /nfs/dbraw/zinc/09/94/39/186099439.db2.gz JQRXYZVTTKBAAS-LBPRGKRZSA-N 1 0 264.394 2.360 10 30 CEEERO COc1ccc2c(c1)[C@](C#N)(N1CCC[NH2+]CC1)CCC2 ZINC000092384903 180373808 /nfs/dbraw/zinc/37/38/08/180373808.db2.gz OANHWPBJIBVGJD-KRWDZBQOSA-N 1 0 285.391 2.046 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000092469837 180392701 /nfs/dbraw/zinc/39/27/01/180392701.db2.gz OAWVYMLFNPESHH-UHFFFAOYSA-N 1 0 274.242 2.299 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000092473818 180392982 /nfs/dbraw/zinc/39/29/82/180392982.db2.gz TUFLXBIYEAJHFK-JTQLQIEISA-N 1 0 284.306 2.241 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)Cc1cccc(Cl)c1 ZINC000092473972 180393796 /nfs/dbraw/zinc/39/37/96/180393796.db2.gz QJBGULJMQCBVGR-NSHDSACASA-N 1 0 266.772 2.163 10 30 CEEERO Cc1cc(C)cc(C[NH+]2CCN([C@H](C)C#N)CC2)c1 ZINC000109453621 186254210 /nfs/dbraw/zinc/25/42/10/186254210.db2.gz VHIAYCOYMPPDSU-OAHLLOKOSA-N 1 0 257.381 2.333 10 30 CEEERO CN(c1nc2c(cc1C#N)CCCC2)[C@H]1CCC[NH2+]C1 ZINC000110932189 186333326 /nfs/dbraw/zinc/33/33/26/186333326.db2.gz CINXKDVPMXDUFD-AWEZNQCLSA-N 1 0 270.380 2.020 10 30 CEEERO N#CCc1nc2ccccc2n1CCC[NH2+]C1CC1 ZINC000110952202 186336720 /nfs/dbraw/zinc/33/67/20/186336720.db2.gz LRMDALXTKUVLAH-UHFFFAOYSA-N 1 0 254.337 2.244 10 30 CEEERO CC[C@H]1CN(Cc2ccc(C#CCCO)s2)CC[N@@H+]1C ZINC000110734610 186316848 /nfs/dbraw/zinc/31/68/48/186316848.db2.gz CJOLQZDFIMIHMW-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO CCC([NH3+])(CC)CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000130076251 187469002 /nfs/dbraw/zinc/46/90/02/187469002.db2.gz YKPJOJNKPYHPIK-UHFFFAOYSA-N 1 0 262.313 2.396 10 30 CEEERO C=CCN(CC=C)C[C@@]1(C[NH2+]CCC)CCCOC1 ZINC000111325096 186398378 /nfs/dbraw/zinc/39/83/78/186398378.db2.gz TUJAWKVATZEGQV-INIZCTEOSA-N 1 0 266.429 2.457 10 30 CEEERO N#CCc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1 ZINC000111244417 186375663 /nfs/dbraw/zinc/37/56/63/186375663.db2.gz MLJGKIHSYZYIOD-CYBMUJFWSA-N 1 0 297.280 2.233 10 30 CEEERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000111263909 186381275 /nfs/dbraw/zinc/38/12/75/186381275.db2.gz YIXGGHQRFBVURX-GZMMTYOYSA-N 1 0 263.728 2.006 10 30 CEEERO C=CCC[C@H](C[NH+](C)C)Oc1cc(C(=O)NCC)ccn1 ZINC000072475848 363137606 /nfs/dbraw/zinc/13/76/06/363137606.db2.gz GRRLKINVGWGZJX-CQSZACIVSA-N 1 0 291.395 2.107 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261555883 283088128 /nfs/dbraw/zinc/08/81/28/283088128.db2.gz QFUUMHXTOVDEKJ-LDYMZIIASA-N 1 0 295.184 2.255 10 30 CEEERO N#Cc1cc(F)c(N2CCC[C@@H](C[NH3+])C2)c(F)c1 ZINC000133668829 283096921 /nfs/dbraw/zinc/09/69/21/283096921.db2.gz VFHIGAPACQRWBB-VIFPVBQESA-N 1 0 251.280 2.012 10 30 CEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000151554194 366652933 /nfs/dbraw/zinc/65/29/33/366652933.db2.gz YIXSIHILDZBDDG-CJNGLKHVSA-N 1 0 257.381 2.377 10 30 CEEERO C=CC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000156889399 366838851 /nfs/dbraw/zinc/83/88/51/366838851.db2.gz LSXWFNIXEUCVOC-UONOGXRCSA-N 1 0 267.417 2.371 10 30 CEEERO C(#Cc1cncc(OC[C@@H]2CC[NH2+]2)c1)c1ccccc1 ZINC000103281536 364638886 /nfs/dbraw/zinc/63/88/86/364638886.db2.gz WPVQUWLESAWSRM-INIZCTEOSA-N 1 0 264.328 2.222 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOc1ccc(C#N)cc1 ZINC000113267979 364880541 /nfs/dbraw/zinc/88/05/41/364880541.db2.gz FYVQRPXPWCUYSA-NVXWUHKLSA-N 1 0 299.418 2.496 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1C#N ZINC000113268946 364882534 /nfs/dbraw/zinc/88/25/34/364882534.db2.gz LZGAICADFKJEJU-MLGOLLRUSA-N 1 0 273.355 2.366 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](CCOc3ccc(C#N)cc3)C2)cn1 ZINC000116318740 365051218 /nfs/dbraw/zinc/05/12/18/365051218.db2.gz WTVWLDRMYQXYRS-HNNXBMFYSA-N 1 0 296.374 2.160 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000171082822 367474592 /nfs/dbraw/zinc/47/45/92/367474592.db2.gz KWPAALRCSDHGEV-ZDUSSCGKSA-N 1 0 272.352 2.035 10 30 CEEERO C[C@@H](c1cccc(C#N)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000187686341 369203140 /nfs/dbraw/zinc/20/31/40/369203140.db2.gz OJRJMDRKDLIBEA-XJKSGUPXSA-N 1 0 255.365 2.399 10 30 CEEERO Cc1cccc(NC[C@@H]2CC[N@H+](CCCC#N)C2)n1 ZINC000195516185 370135391 /nfs/dbraw/zinc/13/53/91/370135391.db2.gz RPHVVUJCMUXBLR-AWEZNQCLSA-N 1 0 258.369 2.428 10 30 CEEERO C=CCOCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000247034291 371052455 /nfs/dbraw/zinc/05/24/55/371052455.db2.gz UQQATIUVNCBMSK-CABCVRRESA-N 1 0 280.412 2.054 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccccc1C#N ZINC000247123640 371067647 /nfs/dbraw/zinc/06/76/47/371067647.db2.gz JCZUVCQFEZXTCU-BBRMVZONSA-N 1 0 255.365 2.227 10 30 CEEERO C=CCCCN(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000247269164 371086516 /nfs/dbraw/zinc/08/65/16/371086516.db2.gz JVHYEUDTBUAPAY-UONOGXRCSA-N 1 0 267.417 2.323 10 30 CEEERO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000248629945 371226270 /nfs/dbraw/zinc/22/62/70/371226270.db2.gz QJAZGQCMHAPMPY-CABCVRRESA-N 1 0 282.428 2.158 10 30 CEEERO C[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000251573345 371407321 /nfs/dbraw/zinc/40/73/21/371407321.db2.gz ATUUWLGWXYYHBA-YGRLFVJLSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@]1(C[NH3+])CCN(c2cccc(Br)c2C#N)C1 ZINC000261542415 371639549 /nfs/dbraw/zinc/63/95/49/371639549.db2.gz CBUJFCUGRMFQCT-CYBMUJFWSA-N 1 0 294.196 2.496 10 30 CEEERO N#Cc1cccnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261816193 371741078 /nfs/dbraw/zinc/74/10/78/371741078.db2.gz SUXIDKIWVRGCAP-HNNXBMFYSA-N 1 0 264.332 2.252 10 30 CEEERO N#Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)nc2ccccc12 ZINC000382461085 375186112 /nfs/dbraw/zinc/18/61/12/375186112.db2.gz WDOVROKVHOKJQQ-YPMHNXCESA-N 1 0 266.348 2.068 10 30 CEEERO C=CCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C)cc1 ZINC000392939810 375324384 /nfs/dbraw/zinc/32/43/84/375324384.db2.gz OLPCKOOWTQYRTN-WFASDCNBSA-N 1 0 274.364 2.008 10 30 CEEERO C[C@H](C[NH3+])CNc1ccc(C#N)cc1Br ZINC000308996998 376588125 /nfs/dbraw/zinc/58/81/25/376588125.db2.gz QADMSQWGPBVDDD-MRVPVSSYSA-N 1 0 268.158 2.327 10 30 CEEERO CC(C)[NH2+]CCCNc1c(C#N)nnc2ccccc21 ZINC000562830445 377010270 /nfs/dbraw/zinc/01/02/70/377010270.db2.gz YQXLIXZVVCSEDG-UHFFFAOYSA-N 1 0 269.352 2.301 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@]12CCSc1ccccc12 ZINC000093375072 184668259 /nfs/dbraw/zinc/66/82/59/184668259.db2.gz AHXKFEUXZLFZRC-AWEZNQCLSA-N 1 0 259.378 2.194 10 30 CEEERO N#Cc1csc(C[NH2+]C[C@H]2CCC[C@@H]2CO)c1 ZINC000093688423 184706588 /nfs/dbraw/zinc/70/65/88/184706588.db2.gz FUYRGAFUUHWSTO-VXGBXAGGSA-N 1 0 250.367 2.118 10 30 CEEERO CN[C@@]1(C#N)CCC[C@H]([NH+]2Cc3ccccc3C2)C1 ZINC000093743585 184710951 /nfs/dbraw/zinc/71/09/51/184710951.db2.gz OHFKRNBQGCJCJC-HOTGVXAUSA-N 1 0 255.365 2.427 10 30 CEEERO CCN[C@@]1(C#N)CC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093801886 184723559 /nfs/dbraw/zinc/72/35/59/184723559.db2.gz FMPGIVVUNGGVGN-GJZGRUSLSA-N 1 0 267.417 2.015 10 30 CEEERO CCC[C@H](C#N)N1CC[NH+]([C@@H]2CCOC3(CCC3)C2)CC1 ZINC000094375599 184791115 /nfs/dbraw/zinc/79/11/15/184791115.db2.gz ZHMZWKINDXAHOL-HZPDHXFCSA-N 1 0 291.439 2.398 10 30 CEEERO C[C@@H](C[NH+]1CCCC1)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591759 184822186 /nfs/dbraw/zinc/82/21/86/184822186.db2.gz KFENRQILPMAOHQ-NSHDSACASA-N 1 0 274.324 2.363 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+]CC(C)(C)CCCCC ZINC000094983033 184910512 /nfs/dbraw/zinc/91/05/12/184910512.db2.gz ZXZTYPAPURZYHW-CYBMUJFWSA-N 1 0 252.402 2.320 10 30 CEEERO C[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)n1ccnc1C#N ZINC000094936608 184896530 /nfs/dbraw/zinc/89/65/30/184896530.db2.gz YQNMDZKAPFPGAQ-CPCISQLKSA-N 1 0 266.757 2.406 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CCC[C@H](C[NH3+])C1 ZINC000071386055 134486005 /nfs/dbraw/zinc/48/60/05/134486005.db2.gz CYUHPLNVFQYLKB-GFCCVEGCSA-N 1 0 266.348 2.282 10 30 CEEERO N#Cc1ccc(N2CC[NH2+]CC23CCCCC3)nc1 ZINC000088396724 135054343 /nfs/dbraw/zinc/05/43/43/135054343.db2.gz MXOBRHPAJQDPAW-UHFFFAOYSA-N 1 0 256.353 2.066 10 30 CEEERO CC[NH2+]CC1CCN(c2cc(C)nc(C#N)c2)CC1 ZINC000308242425 394525896 /nfs/dbraw/zinc/52/58/96/394525896.db2.gz RVJQCSSFVQLTMH-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncccc1C#N ZINC000083704210 394640836 /nfs/dbraw/zinc/64/08/36/394640836.db2.gz KKSNOYOWHJATRC-GXTWGEPZSA-N 1 0 256.353 2.016 10 30 CEEERO Cc1cc(C#N)cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000161735719 162331694 /nfs/dbraw/zinc/33/16/94/162331694.db2.gz BKGBOFYHRHBJNO-HNNXBMFYSA-N 1 0 270.380 2.230 10 30 CEEERO C[C@H]([NH3+])CCNc1cccc(Br)c1C#N ZINC000165078349 162340809 /nfs/dbraw/zinc/34/08/09/162340809.db2.gz JCZFDLFEDOAGFZ-QMMMGPOBSA-N 1 0 268.158 2.470 10 30 CEEERO C[C@H]([NH3+])CCNc1ccc(Br)cc1C#N ZINC000165302536 162344209 /nfs/dbraw/zinc/34/42/09/162344209.db2.gz SSUOBWQZJRHBRI-QMMMGPOBSA-N 1 0 268.158 2.470 10 30 CEEERO CCCOc1ccc(Br)cc1C=NNC(N)=[NH2+] ZINC000007929877 170308194 /nfs/dbraw/zinc/30/81/94/170308194.db2.gz KNPHUOOHZGSQRZ-VIZOYTHASA-N 1 0 299.172 2.055 10 30 CEEERO C=CCOc1ccc(C[NH2+]CCC(=O)N2CCCC2)cc1 ZINC000020127386 171012988 /nfs/dbraw/zinc/01/29/88/171012988.db2.gz CLDMDQBXONWPGD-UHFFFAOYSA-N 1 0 288.391 2.354 10 30 CEEERO CC(C)OCCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000034991898 171918547 /nfs/dbraw/zinc/91/85/47/171918547.db2.gz DDLSHLUWDKNWHM-UHFFFAOYSA-N 1 0 262.353 2.494 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000037031068 172897888 /nfs/dbraw/zinc/89/78/88/172897888.db2.gz QFQRICMUDJPVJQ-NSHDSACASA-N 1 0 294.152 2.011 10 30 CEEERO C#CC[NH+]1CCC(Nc2ccc(OC)c(F)c2)CC1 ZINC000037256451 173067033 /nfs/dbraw/zinc/06/70/33/173067033.db2.gz JNGGLFVLULLUFY-UHFFFAOYSA-N 1 0 262.328 2.344 10 30 CEEERO C#CCOc1c(Cl)cc(C[NH2+]CC)cc1OC ZINC000037486988 173229958 /nfs/dbraw/zinc/22/99/58/173229958.db2.gz HQAZWOVXSKREFO-UHFFFAOYSA-N 1 0 253.729 2.470 10 30 CEEERO CC[C@@H](C)CN(C)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000037571207 173521349 /nfs/dbraw/zinc/52/13/49/173521349.db2.gz AVKACQVDNOTSSW-CYBMUJFWSA-N 1 0 258.365 2.115 10 30 CEEERO CN(c1ccc([N+](=O)[O-])cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747363 174392810 /nfs/dbraw/zinc/39/28/10/174392810.db2.gz LUBCFGFRXSEPEV-ONXXMXGDSA-N 1 0 286.335 2.186 10 30 CEEERO C[NH2+]CCCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000040853199 174421629 /nfs/dbraw/zinc/42/16/29/174421629.db2.gz NNDBODMXOBAPFK-UHFFFAOYSA-N 1 0 263.366 2.047 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1cccc(C#N)c1)c1ccccn1 ZINC000043342973 175015858 /nfs/dbraw/zinc/01/58/58/175015858.db2.gz UPAHQUYKHHOWQP-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CCC#N)C(C)C ZINC000043354634 175022341 /nfs/dbraw/zinc/02/23/41/175022341.db2.gz UIFQPAKYWLYCOU-HUUCEWRRSA-N 1 0 260.385 2.484 10 30 CEEERO CC(C)[N@H+](CC/C(N)=N/O)Cc1cccc(F)c1 ZINC000044414959 175173108 /nfs/dbraw/zinc/17/31/08/175173108.db2.gz KSOBVOPMPSYEAP-UHFFFAOYSA-N 1 0 253.321 2.173 10 30 CEEERO CCCN[C@](C)(C#N)CCCCN1CC[NH+](CCC)CC1 ZINC000045306466 175355716 /nfs/dbraw/zinc/35/57/16/175355716.db2.gz MRIZNAFTFGTWLO-KRWDZBQOSA-N 1 0 294.487 2.466 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000045311485 175356777 /nfs/dbraw/zinc/35/67/77/175356777.db2.gz SCPIQNBUVCPIFY-MRXNPFEDSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@@H+]1CCOCC1(C)C ZINC000045317571 175358090 /nfs/dbraw/zinc/35/80/90/175358090.db2.gz MMHXBFWURCHHOL-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000659329128 415518407 /nfs/dbraw/zinc/51/84/07/415518407.db2.gz LJMRYSUWLFBQKZ-SYQHCUMBSA-N 1 0 250.386 2.093 10 30 CEEERO C[C@H](C[NH2+]C1CC1)Cn1c2ccccc2nc1CC#N ZINC000070527727 175971914 /nfs/dbraw/zinc/97/19/14/175971914.db2.gz KUMZHPBTJVEPGJ-GFCCVEGCSA-N 1 0 268.364 2.490 10 30 CEEERO CC(C)[NH2+][C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O ZINC000071039534 176027121 /nfs/dbraw/zinc/02/71/21/176027121.db2.gz BUKVJLUHYSPKOB-CYBMUJFWSA-N 1 0 277.755 2.315 10 30 CEEERO COCCN(CCC#N)[C@H](c1sccc1C)[C@@H](C)[NH3+] ZINC000071222175 176087446 /nfs/dbraw/zinc/08/74/46/176087446.db2.gz RRLBDWRTJGCSHG-OLZOCXBDSA-N 1 0 281.425 2.307 10 30 CEEERO C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)cc1/C(N)=N/O ZINC000071266840 176100639 /nfs/dbraw/zinc/10/06/39/176100639.db2.gz AZJATVDHOYKOJY-SECBINFHSA-N 1 0 265.332 2.151 10 30 CEEERO C[C@H](Cc1cccs1)NC(=O)c1ccccc1C#CC[NH3+] ZINC000071273679 176105514 /nfs/dbraw/zinc/10/55/14/176105514.db2.gz GCJQYCNKJQEVLG-CYBMUJFWSA-N 1 0 298.411 2.419 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)c2ccc(F)cc2)c1 ZINC000071322326 176123081 /nfs/dbraw/zinc/12/30/81/176123081.db2.gz KFOXTDXDRDHCSF-UHFFFAOYSA-N 1 0 288.347 2.127 10 30 CEEERO CC(C)n1c(C[NH3+])nnc1SCCCCC#N ZINC000071374451 176139605 /nfs/dbraw/zinc/13/96/05/176139605.db2.gz KKTNCWGBAYLKRL-UHFFFAOYSA-N 1 0 253.375 2.104 10 30 CEEERO N#Cc1ccc(CSc2nnc(C[NH3+])n2C2CC2)cc1 ZINC000071375748 176140372 /nfs/dbraw/zinc/14/03/72/176140372.db2.gz JYDCUNXPNSVLRV-UHFFFAOYSA-N 1 0 285.376 2.236 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000662630787 415913662 /nfs/dbraw/zinc/91/36/62/415913662.db2.gz MZSFRXYLCCHWAO-MCIONIFRSA-N 1 0 250.386 2.189 10 30 CEEERO C=CCNC(=O)[C@H](CC[NH3+])c1ccccc1Cl ZINC000076656943 177045796 /nfs/dbraw/zinc/04/57/96/177045796.db2.gz GQNKGRSWPHVYOC-LLVKDONJSA-N 1 0 252.745 2.075 10 30 CEEERO C[NH+](C)[C@H]1CC[C@@H](NC(=O)c2ncoc2C2CC2)C1 ZINC000329199960 227349902 /nfs/dbraw/zinc/34/99/02/227349902.db2.gz WBHUWKKDDWSKOY-MNOVXSKESA-N 1 0 263.341 2.339 10 30 CEEERO N#CCc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000414757421 263039448 /nfs/dbraw/zinc/03/94/48/263039448.db2.gz LDDABDUIYPVNNR-GXTWGEPZSA-N 1 0 272.352 2.002 10 30 CEEERO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000186106320 270248660 /nfs/dbraw/zinc/24/86/60/270248660.db2.gz NSCXDQGMFFIQCP-YOEHRIQHSA-N 1 0 285.391 2.026 10 30 CEEERO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398976089 270365239 /nfs/dbraw/zinc/36/52/39/270365239.db2.gz CJUYWBGFXQJDDV-NOLJZWGESA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2c(C#N)cnc3ccccc32)C[C@@H]1[NH+](C)C ZINC000123992034 274360317 /nfs/dbraw/zinc/36/03/17/274360317.db2.gz BEUVMILDDPKRSG-WBMJQRKESA-N 1 0 280.375 2.493 10 30 CEEERO C[C@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1[NH3+] ZINC000261532400 274592633 /nfs/dbraw/zinc/59/26/33/274592633.db2.gz AYBFGHQUXSMOPV-GZMMTYOYSA-N 1 0 280.169 2.104 10 30 CEEERO Cc1nc(N2CC[C@H]([NH3+])[C@@H](C)C2)c(Cl)cc1C#N ZINC000261587064 274842265 /nfs/dbraw/zinc/84/22/65/274842265.db2.gz UUMBYMZNAQHOKM-UFBFGSQYSA-N 1 0 264.760 2.089 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261566004 274923028 /nfs/dbraw/zinc/92/30/28/274923028.db2.gz IASGMCJQNFAVOD-CQSZACIVSA-N 1 0 261.756 2.401 10 30 CEEERO O=C1c2ccccc2C(=O)C([n+]2ccccc2)=C1Cl ZINC000005234343 275031275 /nfs/dbraw/zinc/03/12/75/275031275.db2.gz HGOWRFYNHDKUFI-UHFFFAOYSA-N 1 0 270.695 2.461 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000110651445 278305186 /nfs/dbraw/zinc/30/51/86/278305186.db2.gz DPHFSBZBSFDODB-LLVKDONJSA-N 1 0 270.380 2.006 10 30 CEEERO N#Cc1cc(F)c(N2CCC(CC[NH3+])CC2)c(F)c1 ZINC000133691295 280003475 /nfs/dbraw/zinc/00/34/75/280003475.db2.gz DDPHRYQKVDLIDS-UHFFFAOYSA-N 1 0 265.307 2.402 10 30 CEEERO COCC[N@@H+]1CCN([C@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000249279994 280390682 /nfs/dbraw/zinc/39/06/82/280390682.db2.gz NBCHTUNVYFYEAA-HUUCEWRRSA-N 1 0 287.407 2.272 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108369 303195565 /nfs/dbraw/zinc/19/55/65/303195565.db2.gz PNNUYNPPHFLZGO-VXGBXAGGSA-N 1 0 274.324 2.396 10 30 CEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000261715415 329979274 /nfs/dbraw/zinc/97/92/74/329979274.db2.gz KJCMJPHRRGLKPP-NWDGAFQWSA-N 1 0 295.427 2.024 10 30 CEEERO C[NH+]=C(N[C@@H]1CC1(C)C)N1CCSC(C)(C)C1 ZINC000261783975 329983469 /nfs/dbraw/zinc/98/34/69/329983469.db2.gz FQQZSBNVCWRATQ-SNVBAGLBSA-N 1 0 255.431 2.188 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262382713 330012015 /nfs/dbraw/zinc/01/20/15/330012015.db2.gz KRXVKYHNRIBOJJ-QNSTZXKLSA-N 1 0 279.428 2.154 10 30 CEEERO CN1CC[NH+]=C1NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000262668902 330025683 /nfs/dbraw/zinc/02/56/83/330025683.db2.gz QCKCZDDEZQTEFH-UWVGGRQHSA-N 1 0 263.307 2.246 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000262754692 330029517 /nfs/dbraw/zinc/02/95/17/330029517.db2.gz AUIRWZXKGDWQMC-GVRJEKJASA-N 1 0 293.455 2.281 10 30 CEEERO COc1cccc(NC(=[NH2+])NC[C@H]2CC23CCOCC3)c1 ZINC000262791333 330031821 /nfs/dbraw/zinc/03/18/21/330031821.db2.gz KTZYHKQSBGPBKK-GFCCVEGCSA-N 1 0 289.379 2.239 10 30 CEEERO Cc1ccc(Br)cc1CNC(=[NH2+])N1CCC1 ZINC000263155046 330046367 /nfs/dbraw/zinc/04/63/67/330046367.db2.gz PWGMBRSXDQSLJP-UHFFFAOYSA-N 1 0 282.185 2.278 10 30 CEEERO CC1(C)CC[C@@H]1NC(=[NH2+])NCCc1cccs1 ZINC000263176642 330047474 /nfs/dbraw/zinc/04/74/74/330047474.db2.gz TYBZNEXSJNJKEH-NSHDSACASA-N 1 0 251.399 2.384 10 30 CEEERO C=CCOc1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000195329095 331170843 /nfs/dbraw/zinc/17/08/43/331170843.db2.gz MPUYCYMCZWLXTO-HNNXBMFYSA-N 1 0 286.375 2.172 10 30 CEEERO C=CCCCCC[N@H+]1CCN(CCOC)[C@@H](C)C1 ZINC000193336315 333248331 /nfs/dbraw/zinc/24/83/31/333248331.db2.gz BYTQBMSXQZKJLP-HNNXBMFYSA-N 1 0 254.418 2.385 10 30 CEEERO CCCN[C@H](C#N)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000062437289 520059636 /nfs/dbraw/zinc/05/96/36/520059636.db2.gz RBETXALIEZPJNT-ZFWWWQNUSA-N 1 0 267.417 2.015 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612940 520224494 /nfs/dbraw/zinc/22/44/94/520224494.db2.gz QEIJOGRRZNNTIH-HOCLYGCPSA-N 1 0 280.460 2.073 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000049105821 522358288 /nfs/dbraw/zinc/35/82/88/522358288.db2.gz INEYBSSHSHRKFS-NEPJUHHUSA-N 1 0 276.355 2.300 10 30 CEEERO N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089389762 518196390 /nfs/dbraw/zinc/19/63/90/518196390.db2.gz BLFNNEFDRBQPJR-UKRRQHHQSA-N 1 0 271.364 2.456 10 30 CEEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)C1CCCCC1 ZINC000052339698 518284081 /nfs/dbraw/zinc/28/40/81/518284081.db2.gz GPDQVAFFFCCAOH-JSGCOSHPSA-N 1 0 250.386 2.073 10 30 CEEERO CCCN[C@@](C)(C#N)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055069984 520031417 /nfs/dbraw/zinc/03/14/17/520031417.db2.gz UXMHLNZMCGFMGU-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO CCCO[C@@H]1CCC[N@H+](CC[C@@H](C#N)NC(C)C)C1 ZINC000062437892 520270388 /nfs/dbraw/zinc/27/03/88/520270388.db2.gz GFHXPYGEENLAPK-LSDHHAIUSA-N 1 0 267.417 2.158 10 30 CEEERO CC[N@H+](Cc1ccncc1)Cc1cccc(C#CCO)c1 ZINC000049614041 521421778 /nfs/dbraw/zinc/42/17/78/521421778.db2.gz ZDNPDZJICFUXPB-UHFFFAOYSA-N 1 0 280.371 2.448 10 30 CEEERO CN[C@@H](C#N)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062369527 522317868 /nfs/dbraw/zinc/31/78/68/522317868.db2.gz WRNPFKGIPLCWMB-QGZVFWFLSA-N 1 0 271.408 2.443 10 30 CEEERO CC[C@H](NC(=O)c1ccc(C#CC[NH3+])cc1F)C(C)C ZINC000049148557 522529760 /nfs/dbraw/zinc/52/97/60/522529760.db2.gz VTNDHTHRJQNEPE-HNNXBMFYSA-N 1 0 276.355 2.300 10 30 CEEERO CN(Cc1ccoc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609740 523476199 /nfs/dbraw/zinc/47/61/99/523476199.db2.gz KRNGOGAHAJUFAU-UHFFFAOYSA-N 1 0 272.323 2.361 10 30 CEEERO CC[C@H](C#N)Oc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000062732138 523750114 /nfs/dbraw/zinc/75/01/14/523750114.db2.gz JXSDQFFEVHDXFO-CYBMUJFWSA-N 1 0 293.323 2.012 10 30 CEEERO COc1ccc(C[N@H+](C)Cc2ccoc2)cc1C#CCO ZINC000049614328 524006353 /nfs/dbraw/zinc/00/63/53/524006353.db2.gz AJEULBORDGHDEW-UHFFFAOYSA-N 1 0 285.343 2.264 10 30 CEEERO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000049615713 524113275 /nfs/dbraw/zinc/11/32/75/524113275.db2.gz IAYOZQOHRRIQEO-OAHLLOKOSA-N 1 0 273.376 2.284 10 30 CEEERO C[C@H]1CCC[C@H](N(C)C(=O)c2cncc(C#CC[NH3+])c2)C1 ZINC000049629611 524202709 /nfs/dbraw/zinc/20/27/09/524202709.db2.gz CSMYRVZGSLEADW-BBRMVZONSA-N 1 0 285.391 2.043 10 30 CEEERO C[C@H]1CC[N@H+](CCOc2cccc(C#CCCO)c2)C1 ZINC000049613579 524290267 /nfs/dbraw/zinc/29/02/67/524290267.db2.gz HPMKEDSVRDPQOR-HNNXBMFYSA-N 1 0 273.376 2.141 10 30 CEEERO C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1[NH3+] ZINC000070148145 524305850 /nfs/dbraw/zinc/30/58/50/524305850.db2.gz KSQAPYYYQCKKNY-FZMZJTMJSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H](C[C@@](C)(C#N)NC1CC1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616457 524629467 /nfs/dbraw/zinc/62/94/67/524629467.db2.gz IJVGEXVSOPBJCQ-YCPHGPKFSA-N 1 0 279.428 2.158 10 30 CEEERO C[C@]([NH3+])(C(=O)NCc1ccc(C#N)cc1)c1ccccc1 ZINC000052882025 525144413 /nfs/dbraw/zinc/14/44/13/525144413.db2.gz LLIPOZDXSKMKHE-QGZVFWFLSA-N 1 0 279.343 2.049 10 30 CEEERO C[C@]([NH3+])(C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000052881161 525147984 /nfs/dbraw/zinc/14/79/84/525147984.db2.gz JPVSIGDXISMJFM-MRXNPFEDSA-N 1 0 265.316 2.371 10 30 CEEERO C[C@@H]([NH2+]CCCOc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000183126444 525440511 /nfs/dbraw/zinc/44/05/11/525440511.db2.gz QSWXQMXSZVJINL-CJNGLKHVSA-N 1 0 274.364 2.484 10 30 CEEERO Cc1ccc([C@@H](C)NC(=O)c2cncc(C#CC[NH3+])c2)s1 ZINC000049629661 525719583 /nfs/dbraw/zinc/71/95/83/525719583.db2.gz GKCNGHRDRHULHU-GFCCVEGCSA-N 1 0 299.399 2.253 10 30 CEEERO C[C@H]1CCCC[N@@H+]1CCOc1ccc(C#CCO)cc1 ZINC000049615714 526251082 /nfs/dbraw/zinc/25/10/82/526251082.db2.gz IAYOZQOHRRIQEO-HNNXBMFYSA-N 1 0 273.376 2.284 10 30 CEEERO Cc1nn(Cc2cc(C#N)ccc2F)c(C)c1CC[NH3+] ZINC000062802722 526287450 /nfs/dbraw/zinc/28/74/50/526287450.db2.gz TUHPZIIPJSOFEQ-UHFFFAOYSA-N 1 0 272.327 2.060 10 30 CEEERO Cc1nn(Cc2ccnc(C#N)c2)c(C)c1C[NH2+]C1CC1 ZINC000068758411 526299521 /nfs/dbraw/zinc/29/95/21/526299521.db2.gz HSDSRDIPSRSKQH-UHFFFAOYSA-N 1 0 281.363 2.067 10 30 CEEERO N#CC[C@@H](N[C@@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000055016009 526480614 /nfs/dbraw/zinc/48/06/14/526480614.db2.gz LPCBWFQNRIMITA-HZPDHXFCSA-N 1 0 255.365 2.325 10 30 CEEERO N#Cc1cc(COc2cccc3c2CC[C@H]3[NH3+])ccn1 ZINC000068750774 526551667 /nfs/dbraw/zinc/55/16/67/526551667.db2.gz QECOZWMUMRUHMX-OAHLLOKOSA-N 1 0 265.316 2.478 10 30 CEEERO N#Cc1cc(N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000063190611 526564503 /nfs/dbraw/zinc/56/45/03/526564503.db2.gz IAZSXCZJTIAHFX-GJZGRUSLSA-N 1 0 256.353 2.064 10 30 CEEERO N#Cc1cc(OC[C@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068771717 526575141 /nfs/dbraw/zinc/57/51/41/526575141.db2.gz KYHGEQBCYAUWRC-LBPRGKRZSA-N 1 0 267.332 2.485 10 30 CEEERO C[NH2+]C[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133664087 536465824 /nfs/dbraw/zinc/46/58/24/536465824.db2.gz RPNRQAIHWCSTDL-SNVBAGLBSA-N 1 0 265.307 2.272 10 30 CEEERO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000052759636 526674457 /nfs/dbraw/zinc/67/44/57/526674457.db2.gz PKDZPRVVCAZVKH-HNNXBMFYSA-N 1 0 274.364 2.174 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1COC[C@H]1CCCCO1 ZINC000049610767 527149322 /nfs/dbraw/zinc/14/93/22/527149322.db2.gz PIKGZBBCBKDBAA-MRXNPFEDSA-N 1 0 277.339 2.222 10 30 CEEERO [NH3+]CC#Cc1ccc(Cn2cnc3ccccc32)cc1 ZINC000049610104 527150333 /nfs/dbraw/zinc/15/03/33/527150333.db2.gz KPCXSMSQNNJPSP-UHFFFAOYSA-N 1 0 261.328 2.395 10 30 CEEERO [NH3+]CC#Cc1ccccc1CNC(=O)C1CCCCC1 ZINC000049586400 527153316 /nfs/dbraw/zinc/15/33/16/527153316.db2.gz LFPOKPNHADRGRR-UHFFFAOYSA-N 1 0 270.376 2.193 10 30 CEEERO [NH3+]CC#Cc1cncc(C(=O)Nc2cccc(Cl)c2)c1 ZINC000049629331 527155505 /nfs/dbraw/zinc/15/55/05/527155505.db2.gz AQJZYAQGKXPWNV-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO FC1(F)[C@H]2C[NH2+]C[C@@H]2C(F)(F)C(F)(F)C1(F)F ZINC000669371728 570350637 /nfs/dbraw/zinc/35/06/37/570350637.db2.gz VOIAYICARKFWSA-IMJSIDKUSA-N 1 0 269.135 2.377 10 30 CEEERO C[NH2+][C@H](C)CNc1cccc(Br)c1C#N ZINC000261538459 623325091 /nfs/dbraw/zinc/32/50/91/623325091.db2.gz YEWKOAWZHLJTNA-MRVPVSSYSA-N 1 0 268.158 2.341 10 30 CEEERO C[C@@H](Nc1nc2c(cc1C#N)CCC2)[C@@H]1CCC[NH2+]C1 ZINC000050164287 623328661 /nfs/dbraw/zinc/32/86/61/623328661.db2.gz PPMNEZJGNMHXFR-DGCLKSJQSA-N 1 0 270.380 2.242 10 30 CEEERO N#Cc1sc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)nc1Cl ZINC000300136048 624735639 /nfs/dbraw/zinc/73/56/39/624735639.db2.gz OTBYDRRUKOHCQZ-YIZRAAEISA-N 1 0 282.800 2.232 10 30 CEEERO COc1ccc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)cc1OC ZINC000312425543 628262634 /nfs/dbraw/zinc/26/26/34/628262634.db2.gz ZJMWTCYGNTXJKA-NWDGAFQWSA-N 1 0 278.352 2.283 10 30 CEEERO C[NH2+][C@@H](C)CNc1ccc(Br)cc1C#N ZINC000261538508 628936260 /nfs/dbraw/zinc/93/62/60/628936260.db2.gz YIJUHBUDABGOIV-QMMMGPOBSA-N 1 0 268.158 2.341 10 30 CEEERO CC(C)(C(=O)N[C@H]1CCC[C@H]1C#N)[NH+]1CCCCC1 ZINC000906900435 636884486 /nfs/dbraw/zinc/88/44/86/636884486.db2.gz HMRAEFMJOZUSTB-STQMWFEESA-N 1 0 263.385 2.059 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000216209509 652969673 /nfs/dbraw/zinc/96/96/73/652969673.db2.gz KYVCNHRPUWIBTD-NWDGAFQWSA-N 1 0 266.348 2.280 10 30 CEEERO OCC#Cc1ccc(OCCC[NH+]2CCCCC2)cc1 ZINC000096904642 185127820 /nfs/dbraw/zinc/12/78/20/185127820.db2.gz WNFFRHGLNAABMA-UHFFFAOYSA-N 1 0 273.376 2.285 10 30 CEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000123990648 344312427 /nfs/dbraw/zinc/31/24/27/344312427.db2.gz YKCIRPJRSJEIIQ-UONOGXRCSA-N 1 0 263.385 2.061 10 30 CEEERO Cc1cc(C#N)cc(N2CCc3ccccc3[C@@H]2C[NH3+])n1 ZINC000161808805 344465341 /nfs/dbraw/zinc/46/53/41/344465341.db2.gz KKFQJPSGBRQQEJ-INIZCTEOSA-N 1 0 278.359 2.324 10 30 CEEERO C#CCOC[C@H](O)C[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000169677986 344481858 /nfs/dbraw/zinc/48/18/58/344481858.db2.gz YOFXFUDXVLTNBV-DOTOQJQBSA-N 1 0 275.392 2.298 10 30 CEEERO C[C@@H](C[NH3+])Nc1ccc(C#N)c(Br)c1 ZINC000228273168 344559925 /nfs/dbraw/zinc/55/99/25/344559925.db2.gz HFIVTGKXJQSEDD-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO CC[C@@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251869766 344637818 /nfs/dbraw/zinc/63/78/18/344637818.db2.gz UHBDKPLJYPULCE-VXGBXAGGSA-N 1 0 274.324 2.030 10 30 CEEERO CC[NH+](CC)CCOS(=O)(=O)c1ccc(C)cc1 ZINC000584652885 344973751 /nfs/dbraw/zinc/97/37/51/344973751.db2.gz MLNDTEFCHMWPOR-UHFFFAOYSA-N 1 0 271.382 2.042 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000594693034 345673140 /nfs/dbraw/zinc/67/31/40/345673140.db2.gz IXCAXAODUAKXLW-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1cc(Br)ccc1NCC12CC(C1)C[NH2+]2 ZINC000596027733 345924961 /nfs/dbraw/zinc/92/49/61/345924961.db2.gz VQQVCWFZLAXFTK-UHFFFAOYSA-N 1 0 292.180 2.485 10 30 CEEERO Cc1nc(N[C@H](C)CCC[NH3+])c(Cl)cc1C#N ZINC000310545516 201873197 /nfs/dbraw/zinc/87/31/97/201873197.db2.gz SEQHNVQPBRIYHH-MRVPVSSYSA-N 1 0 252.749 2.454 10 30 CEEERO C[C@@H]1CCC[C@H](C)N1C(=O)c1sccc1C#CC[NH3+] ZINC000097814451 185670632 /nfs/dbraw/zinc/67/06/32/185670632.db2.gz DJZQXUAMKKYPGE-TXEJJXNPSA-N 1 0 276.405 2.461 10 30 CEEERO N#Cc1ccc(NCCOCCC[NH3+])c(Br)c1 ZINC000600955103 346716104 /nfs/dbraw/zinc/71/61/04/346716104.db2.gz KEFMHZUBLKZBLY-UHFFFAOYSA-N 1 0 298.184 2.098 10 30 CEEERO C[C@@H]1CC[C@H](Nc2c(C#N)nnc3ccccc32)C[NH2+]1 ZINC000600955479 346716862 /nfs/dbraw/zinc/71/68/62/346716862.db2.gz NKJTUPWSNFMMRZ-MNOVXSKESA-N 1 0 267.336 2.054 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C#N ZINC000336816747 365859930 /nfs/dbraw/zinc/85/99/30/365859930.db2.gz NFYWATMUSGNDMJ-JTQLQIEISA-N 1 0 262.313 2.396 10 30 CEEERO Cc1nc(N2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccc1C#N ZINC000336836468 365905096 /nfs/dbraw/zinc/90/50/96/365905096.db2.gz KVRJHRNSJPERIC-IUODEOHRSA-N 1 0 270.380 2.325 10 30 CEEERO C=CC[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000086498488 179302957 /nfs/dbraw/zinc/30/29/57/179302957.db2.gz AXPKKSQIFXUMPA-UHFFFAOYSA-N 1 0 251.351 2.455 10 30 CEEERO CC(C)N[C@@H](C#N)CC[N@H+](C)CCc1ccccc1 ZINC000088203283 179566034 /nfs/dbraw/zinc/56/60/34/179566034.db2.gz CHDMNCARCXWDBG-MRXNPFEDSA-N 1 0 259.397 2.441 10 30 CEEERO C[C@@H]1CCCCC[C@@H]1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000088517270 179616859 /nfs/dbraw/zinc/61/68/59/179616859.db2.gz UXPTUGOUNOMJHZ-CJNGLKHVSA-N 1 0 285.391 2.090 10 30 CEEERO N#CCOc1ccc(C[NH2+]C[C@H]2CCC[C@H]2CO)cc1 ZINC000089484994 179801369 /nfs/dbraw/zinc/80/13/69/179801369.db2.gz KAVLDERLGNUGCW-CABCVRRESA-N 1 0 274.364 2.087 10 30 CEEERO C[C@@H]([NH3+])CCSCCOc1ccc(C#N)cc1 ZINC000090346611 179970867 /nfs/dbraw/zinc/97/08/67/179970867.db2.gz PYCJVEPEJKPOQJ-LLVKDONJSA-N 1 0 250.367 2.408 10 30 CEEERO CC(C)(C#N)N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090977028 180079160 /nfs/dbraw/zinc/07/91/60/180079160.db2.gz NIEAJAIADURRJL-HNNXBMFYSA-N 1 0 269.392 2.246 10 30 CEEERO CC[C@@H]([NH3+])[C@](O)(c1cc(F)cc(C#N)c1)C(F)(F)F ZINC000091332090 180135964 /nfs/dbraw/zinc/13/59/64/180135964.db2.gz FPOGQEZJUCATSL-GHMZBOCLSA-N 1 0 276.233 2.185 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CS[C@H](C)CCO ZINC000091266348 180116990 /nfs/dbraw/zinc/11/69/90/180116990.db2.gz DNHZFANPUSOGHL-GFCCVEGCSA-N 1 0 279.405 2.010 10 30 CEEERO CCCN(c1ccc(C#N)cn1)C1CCC([NH3+])CC1 ZINC000091852773 180273072 /nfs/dbraw/zinc/27/30/72/180273072.db2.gz LQFGPBJJYWDXHN-UHFFFAOYSA-N 1 0 258.369 2.440 10 30 CEEERO Cc1cc(N(C)Cc2cccc(C#N)c2)[nH+]cc1N ZINC000092027362 180308257 /nfs/dbraw/zinc/30/82/57/180308257.db2.gz ZCDNXBLXUFZASS-UHFFFAOYSA-N 1 0 252.321 2.480 10 30 CEEERO Cc1c(C#CC[NH3+])cccc1C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000092112286 180327609 /nfs/dbraw/zinc/32/76/09/180327609.db2.gz YVJJQCVVXBPLGO-STQMWFEESA-N 1 0 270.376 2.033 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000092133216 180330476 /nfs/dbraw/zinc/33/04/76/180330476.db2.gz WIOPZEYAOUOKOW-MRVPVSSYSA-N 1 0 285.269 2.371 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H](C)C[NH2+]C)cc1 ZINC000092134099 180331425 /nfs/dbraw/zinc/33/14/25/180331425.db2.gz NBXOBEFLDZEUMP-ZDUSSCGKSA-N 1 0 276.380 2.065 10 30 CEEERO C[C@@H](C#N)N1CC[NH+](C[C@@H]2CSc3ccccc32)CC1 ZINC000092275901 180356336 /nfs/dbraw/zinc/35/63/36/180356336.db2.gz AOMWYUGPFRWTRQ-UONOGXRCSA-N 1 0 287.432 2.406 10 30 CEEERO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(N)n1 ZINC000092370392 180369911 /nfs/dbraw/zinc/36/99/11/180369911.db2.gz DVQKDQHFGCKNJC-UHFFFAOYSA-N 1 0 252.321 2.167 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](CC)c1ccccc1OC ZINC000092473953 180393789 /nfs/dbraw/zinc/39/37/89/180393789.db2.gz KQAIUBISJOTFOZ-ZDUSSCGKSA-N 1 0 262.353 2.038 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)Cc1ccccc1Cl ZINC000092473827 180393831 /nfs/dbraw/zinc/39/38/31/180393831.db2.gz HSGIZHMIUAXSRA-LLVKDONJSA-N 1 0 266.772 2.163 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(Br)ccc1OC ZINC000092475580 180393949 /nfs/dbraw/zinc/39/39/49/180393949.db2.gz BNLVSFZAEFEMNE-UHFFFAOYSA-N 1 0 299.168 2.172 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)CC1 ZINC000110817788 186327557 /nfs/dbraw/zinc/32/75/57/186327557.db2.gz OZZVSIHOUGVOEE-CYBMUJFWSA-N 1 0 288.366 2.398 10 30 CEEERO CCN(CCOc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000110942792 186334594 /nfs/dbraw/zinc/33/45/94/186334594.db2.gz NQEPXUKTNYKQAS-OAHLLOKOSA-N 1 0 273.380 2.011 10 30 CEEERO N#CCc1nc2ccccc2n1C[C@@H]1CCC[NH2+]C1 ZINC000110952077 186336326 /nfs/dbraw/zinc/33/63/26/186336326.db2.gz OSHPWOQVAROBBR-GFCCVEGCSA-N 1 0 254.337 2.102 10 30 CEEERO N#CCc1nc2ccccc2n1[C@H](C[NH3+])c1ccncc1 ZINC000110951639 186336746 /nfs/dbraw/zinc/33/67/46/186336746.db2.gz TUCYXEWJWUSXGP-OAHLLOKOSA-N 1 0 277.331 2.045 10 30 CEEERO C#CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)[NH2+]CC ZINC000110960462 186337136 /nfs/dbraw/zinc/33/71/36/186337136.db2.gz GYBBTSZLXKVBPJ-UONOGXRCSA-N 1 0 288.391 2.182 10 30 CEEERO CC[C@@H]1CN(CCCOc2cccc(C#N)c2)CC[N@@H+]1C ZINC000110718812 186315894 /nfs/dbraw/zinc/31/58/94/186315894.db2.gz HTRGAXKHMRHNGE-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737496 186318953 /nfs/dbraw/zinc/31/89/53/186318953.db2.gz HENNLPIZCYJLMQ-MRXNPFEDSA-N 1 0 280.460 2.073 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111102498 186352488 /nfs/dbraw/zinc/35/24/88/186352488.db2.gz XEGUCECVCBTERQ-USXIJHARSA-N 1 0 282.387 2.163 10 30 CEEERO CN[C@](C)(C#N)CCCC[N@H+](C)CC1CCOCC1 ZINC000111169222 186365466 /nfs/dbraw/zinc/36/54/66/186365466.db2.gz MPDAHCUAMVNVCJ-HNNXBMFYSA-N 1 0 267.417 2.017 10 30 CEEERO [NH3+]CC#Cc1ccsc1C(=O)N1CCCCCCC1 ZINC000111540736 186426684 /nfs/dbraw/zinc/42/66/84/186426684.db2.gz JBMJJLXGBRXIJD-UHFFFAOYSA-N 1 0 276.405 2.465 10 30 CEEERO Cc1ccccc1CNC(=O)c1sccc1C#CC[NH3+] ZINC000111540885 186427381 /nfs/dbraw/zinc/42/73/81/186427381.db2.gz PYNYHTKLATZQEB-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO C[NH2+]CCN(C)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000070304510 363067602 /nfs/dbraw/zinc/06/76/02/363067602.db2.gz MKGDUBXSJYRJOZ-UHFFFAOYSA-N 1 0 257.259 2.233 10 30 CEEERO C[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@@H]1[NH+](C)C ZINC000123988922 187117796 /nfs/dbraw/zinc/11/77/96/187117796.db2.gz LUOPKYDBXWWLAU-ZANVPECISA-N 1 0 265.307 2.223 10 30 CEEERO Cc1nc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(Cl)cc1C#N ZINC000292557781 198331869 /nfs/dbraw/zinc/33/18/69/198331869.db2.gz JJKSCTMXQJQNGP-NOZJJQNGSA-N 1 0 278.787 2.301 10 30 CEEERO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337316911 366141335 /nfs/dbraw/zinc/14/13/35/366141335.db2.gz YRWWNEIHBDFNGL-QKPAOTATSA-N 1 0 275.396 2.445 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000130997120 283171712 /nfs/dbraw/zinc/17/17/12/283171712.db2.gz SYDOLFTZFPNKSH-XQQFMLRXSA-N 1 0 286.335 2.030 10 30 CEEERO C=CCN(CC=C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000079495875 363609580 /nfs/dbraw/zinc/60/95/80/363609580.db2.gz NBGKUPHYAHLMKE-CQSZACIVSA-N 1 0 267.417 2.346 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)o1 ZINC000184054869 189374963 /nfs/dbraw/zinc/37/49/63/189374963.db2.gz RWOWPHGAZYQMIF-QWHCGFSZSA-N 1 0 259.353 2.210 10 30 CEEERO C#CC[NH2+][C@@H]1CCc2ccc(OC(=O)N(C)CC)cc21 ZINC000027623417 361656404 /nfs/dbraw/zinc/65/64/04/361656404.db2.gz LHXOCOHMBFOVJS-OAHLLOKOSA-N 1 0 272.348 2.347 10 30 investigational CEEERO COc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1C#N ZINC000087832794 363872302 /nfs/dbraw/zinc/87/23/02/363872302.db2.gz HQSBXUHPEIZDOT-OAHLLOKOSA-N 1 0 274.364 2.304 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[N@H+](C[C@H](C)O)[C@H](CC)C1 ZINC000246096152 370908474 /nfs/dbraw/zinc/90/84/74/370908474.db2.gz LYGPVHBJPAPUSI-GOEBONIOSA-N 1 0 294.439 2.058 10 30 CEEERO Cc1cc(C#N)ccc1CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000229150982 370420463 /nfs/dbraw/zinc/42/04/63/370420463.db2.gz RDMJITSIBWJEDJ-CJNGLKHVSA-N 1 0 257.381 2.249 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1F ZINC000247502560 371117748 /nfs/dbraw/zinc/11/77/48/371117748.db2.gz VEPDWNHMWJMJPH-DOMZBBRYSA-N 1 0 273.355 2.366 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000248005367 371153423 /nfs/dbraw/zinc/15/34/23/371153423.db2.gz KTSZLNVWJMYAQI-KGLIPLIRSA-N 1 0 268.426 2.260 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1nccc(C#N)c1Cl ZINC000235628124 189829393 /nfs/dbraw/zinc/82/93/93/189829393.db2.gz LUUGOSGYKZKVJI-PSASIEDQSA-N 1 0 250.733 2.159 10 30 CEEERO C[C@@H](Nc1ccc(C#N)cc1Br)[C@H](C)[NH3+] ZINC000261532595 371639394 /nfs/dbraw/zinc/63/93/94/371639394.db2.gz JXCXFYILUYTHMA-JGVFFNPUSA-N 1 0 268.158 2.468 10 30 CEEERO Cc1nc(N2CCC[C@@H](C)[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261658535 371694216 /nfs/dbraw/zinc/69/42/16/371694216.db2.gz YVRSBZVSUKKZSO-RNCFNFMXSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1cccc(N[C@H]2CC[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000382482399 375187887 /nfs/dbraw/zinc/18/78/87/375187887.db2.gz XMYRIDAMKRLTFE-KOLCDFICSA-N 1 0 260.297 2.006 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)nc(C#N)c1 ZINC000308275027 376578467 /nfs/dbraw/zinc/57/84/67/376578467.db2.gz ZYGAVEIIEABQFT-CQSZACIVSA-N 1 0 258.369 2.182 10 30 CEEERO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000296105834 378420695 /nfs/dbraw/zinc/42/06/95/378420695.db2.gz ICMXJPALNGJQJZ-BBRMVZONSA-N 1 0 274.364 2.172 10 30 CEEERO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000092951867 184637112 /nfs/dbraw/zinc/63/71/12/184637112.db2.gz KXVXMIKAWGSWTG-LDYMZIIASA-N 1 0 263.728 2.148 10 30 CEEERO C[C@@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178469 296400507 /nfs/dbraw/zinc/40/05/07/296400507.db2.gz NXTYBOBNTBCZBT-QMTHXVAHSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccsc1NC(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094752638 184852824 /nfs/dbraw/zinc/85/28/24/184852824.db2.gz WVWANSOPQLWUBB-MNOVXSKESA-N 1 0 263.366 2.466 10 30 CEEERO [NH3+]CC#Cc1cc(NC(=O)c2ccoc2)ccc1Cl ZINC000094671707 184838086 /nfs/dbraw/zinc/83/80/86/184838086.db2.gz MQBPUSSIIFKTRU-UHFFFAOYSA-N 1 0 274.707 2.496 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261783971 394607453 /nfs/dbraw/zinc/60/74/53/394607453.db2.gz XCJXXULTODHMFK-HBNTYKKESA-N 1 0 296.296 2.146 10 30 CEEERO N#Cc1ccc(N2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000335295307 394756661 /nfs/dbraw/zinc/75/66/61/394756661.db2.gz HXEBOCQOZFVEGH-UHFFFAOYSA-N 1 0 259.328 2.277 10 30 CEEERO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000359669640 394769760 /nfs/dbraw/zinc/76/97/60/394769760.db2.gz GCQRTUASIOVTPV-LSDHHAIUSA-N 1 0 271.364 2.170 10 30 CEEERO C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1[NH+](C)C ZINC000124031587 394835578 /nfs/dbraw/zinc/83/55/78/394835578.db2.gz RXRSPEAMBDBRGV-WBMJQRKESA-N 1 0 284.407 2.218 10 30 CEEERO CC[C@H]([NH3+])CNc1cccc(Br)c1C#N ZINC000165080737 162340742 /nfs/dbraw/zinc/34/07/42/162340742.db2.gz SBTXZFHUAMPIQA-QMMMGPOBSA-N 1 0 268.158 2.470 10 30 CEEERO N#Cc1c(Br)cccc1NC[C@H]1CCC[NH2+]1 ZINC000165076550 162341756 /nfs/dbraw/zinc/34/17/56/162341756.db2.gz OJPAKJNTHDWWLC-SECBINFHSA-N 1 0 280.169 2.485 10 30 CEEERO N#Cc1cccc(OCCCN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000176822116 165178767 /nfs/dbraw/zinc/17/87/67/165178767.db2.gz PBHISXSBRTVYBA-QGZVFWFLSA-N 1 0 299.418 2.497 10 30 CEEERO CCCOc1ccc([C@@H](C#N)NCC[NH+](C)C)cc1 ZINC000020176427 171042365 /nfs/dbraw/zinc/04/23/65/171042365.db2.gz JCOIAFLAULFQJX-OAHLLOKOSA-N 1 0 261.369 2.191 10 30 CEEERO C=CCN(CC[NH3+])Cc1ccc(Br)cc1 ZINC000032116314 171709466 /nfs/dbraw/zinc/70/94/66/171709466.db2.gz IYIYRERLCZJTKA-UHFFFAOYSA-N 1 0 269.186 2.396 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CCCC[NH2+]2)ccc1Cl ZINC000037018670 172881622 /nfs/dbraw/zinc/88/16/22/172881622.db2.gz VLQOZVBMJMLQNZ-GFCCVEGCSA-N 1 0 263.728 2.292 10 30 CEEERO C#CCN1CCC([NH2+][C@@H](C)CCc2ccco2)CC1 ZINC000037232929 173051896 /nfs/dbraw/zinc/05/18/96/173051896.db2.gz RIKACAJXDYMIOM-AWEZNQCLSA-N 1 0 260.381 2.288 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)Cc2cccs2)CC1 ZINC000037291721 173096613 /nfs/dbraw/zinc/09/66/13/173096613.db2.gz QQGHCASLUBLMDS-CYBMUJFWSA-N 1 0 262.422 2.366 10 30 CEEERO CCCCCNC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000037570087 173520685 /nfs/dbraw/zinc/52/06/85/173520685.db2.gz QZQFANGULBPDMX-UHFFFAOYSA-N 1 0 262.328 2.056 10 30 CEEERO CC(C)Oc1cccc([C@H](C#N)N2CCC[NH2+]CC2)c1 ZINC000040641456 174364353 /nfs/dbraw/zinc/36/43/53/174364353.db2.gz UUUJOHGYUXUOKN-INIZCTEOSA-N 1 0 273.380 2.334 10 30 CEEERO CC(C)C[C@H](CO)[NH2+]Cc1cccc(OCC#N)c1 ZINC000040775665 174402831 /nfs/dbraw/zinc/40/28/31/174402831.db2.gz QZISDMWLYJENLZ-CQSZACIVSA-N 1 0 262.353 2.086 10 30 CEEERO CCC[NH2+][C@@H](c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301263 175002012 /nfs/dbraw/zinc/00/20/12/175002012.db2.gz JGIGOYUCUYZTKL-GJZGRUSLSA-N 1 0 292.404 2.034 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1cccnc1)N(CCC#N)C1CC1 ZINC000043348369 175019007 /nfs/dbraw/zinc/01/90/07/175019007.db2.gz FHWJRRDNGHIEHW-HUUCEWRRSA-N 1 0 258.369 2.238 10 30 CEEERO N#CCc1ccc(O[C@@H](C[NH3+])c2cccnc2)cc1 ZINC000043349326 175019381 /nfs/dbraw/zinc/01/93/81/175019381.db2.gz UWLXGZIZFQYILQ-HNNXBMFYSA-N 1 0 253.305 2.226 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CCC#N)C1CC1 ZINC000043354645 175022183 /nfs/dbraw/zinc/02/21/83/175022183.db2.gz WQFWDZZRGXJHDA-GJZGRUSLSA-N 1 0 258.369 2.238 10 30 CEEERO [NH3+]CC#Cc1ccsc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000043684282 175093036 /nfs/dbraw/zinc/09/30/36/175093036.db2.gz CTUATRNCSYGAEE-GJZGRUSLSA-N 1 0 290.432 2.202 10 30 CEEERO Cc1cnc(SCc2sccc2C#CC[NH3+])nc1 ZINC000043685936 175094621 /nfs/dbraw/zinc/09/46/21/175094621.db2.gz QSUFWPJITSBODW-UHFFFAOYSA-N 1 0 275.402 2.449 10 30 CEEERO CC(C)N[C@@](C)(C#N)CC[N@H+](C)CCc1ccncc1 ZINC000045181466 175324676 /nfs/dbraw/zinc/32/46/76/175324676.db2.gz XNVSJYORORIQLZ-MRXNPFEDSA-N 1 0 274.412 2.226 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](C)C1CCN(C)CC1 ZINC000045307909 175356861 /nfs/dbraw/zinc/35/68/61/175356861.db2.gz HQAVGCBYSBNBGX-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@](C)(C#N)CCC[NH+]1CCC(OCC)CC1 ZINC000045313020 175357202 /nfs/dbraw/zinc/35/72/02/175357202.db2.gz KLSCJQQKJRKWCT-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCN1CCC([N@H+](C)CCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045317166 175358009 /nfs/dbraw/zinc/35/80/09/175358009.db2.gz ABNLZIRXEZBQLB-QGZVFWFLSA-N 1 0 292.471 2.217 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](C)C1CCN(CC)CC1 ZINC000045317190 175358197 /nfs/dbraw/zinc/35/81/97/175358197.db2.gz RORNZRRPYLOCHU-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO CCC(CC)[N@H+](CCC[C@](C)(N)C#N)CCOC ZINC000045319515 175359355 /nfs/dbraw/zinc/35/93/55/175359355.db2.gz RDPSRIAAPVDRHC-AWEZNQCLSA-N 1 0 255.406 2.145 10 30 CEEERO CCCCCCNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000070469057 175948691 /nfs/dbraw/zinc/94/86/91/175948691.db2.gz AWQXQZMWOSNSOW-UHFFFAOYSA-N 1 0 258.365 2.307 10 30 CEEERO N#CCc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070575158 175990306 /nfs/dbraw/zinc/99/03/06/175990306.db2.gz HGVIVJOKXHPRJA-STQMWFEESA-N 1 0 257.337 2.209 10 30 CEEERO CN(C[C@@H]1CC[N@H+](C)C1)c1c(C#N)cnc2ccccc21 ZINC000071190202 176066523 /nfs/dbraw/zinc/06/65/23/176066523.db2.gz DUCPAXBIZKBQTE-CYBMUJFWSA-N 1 0 280.375 2.494 10 30 CEEERO COCCN(CCC#N)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000071222109 176087506 /nfs/dbraw/zinc/08/75/06/176087506.db2.gz ZNGCPVGBTMAXGK-CQSZACIVSA-N 1 0 281.787 2.202 10 30 CEEERO C[C@@H]([NH3+])Cc1ccc(OCC#N)c(C(F)(F)F)c1 ZINC000071399663 176152356 /nfs/dbraw/zinc/15/23/56/176152356.db2.gz WGBVOIVRUQCQHQ-MRVPVSSYSA-N 1 0 258.243 2.497 10 30 CEEERO CC[C@@H](C#N)Oc1ccc(C)cc1C[NH2+]CCOC ZINC000071407430 176156381 /nfs/dbraw/zinc/15/63/81/176156381.db2.gz VJEWYWPXTSZXKH-AWEZNQCLSA-N 1 0 262.353 2.412 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000662630520 415911361 /nfs/dbraw/zinc/91/13/61/415911361.db2.gz KWLWMTWUDPWQDM-ZIAGYGMSSA-N 1 0 250.386 2.333 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000662637756 415914415 /nfs/dbraw/zinc/91/44/15/415914415.db2.gz XSLOEJZTRXKXRS-RDBSUJKOSA-N 1 0 250.386 2.319 10 30 CEEERO C[C@@H](CC[NH3+])CCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000079117733 177435800 /nfs/dbraw/zinc/43/58/00/177435800.db2.gz RGGRFULWGTVFMV-SNVBAGLBSA-N 1 0 290.323 2.170 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc(CC#N)cc1 ZINC000334833087 225326608 /nfs/dbraw/zinc/32/66/08/225326608.db2.gz NJAUPBAABMNUGT-SMDDNHRTSA-N 1 0 272.352 2.015 10 30 CEEERO C[NH+]=C(NCCc1nccs1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156048045 260778965 /nfs/dbraw/zinc/77/89/65/260778965.db2.gz QJYUHHKAGQAXRQ-STQMWFEESA-N 1 0 292.452 2.383 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCCSCC#N ZINC000175354122 261222215 /nfs/dbraw/zinc/22/22/15/261222215.db2.gz WYVTWXCRVHGZGN-ZDUSSCGKSA-N 1 0 255.431 2.049 10 30 CEEERO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181620888 261905487 /nfs/dbraw/zinc/90/54/87/261905487.db2.gz ZFTWYAPVSQGPGJ-LLVKDONJSA-N 1 0 295.333 2.378 10 30 CEEERO CO[C@@H]1C[C@@H](CO)[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000284557186 263087358 /nfs/dbraw/zinc/08/73/58/263087358.db2.gz IDYRKQMSFGULAM-LSDHHAIUSA-N 1 0 288.391 2.069 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1F ZINC000399006254 268248739 /nfs/dbraw/zinc/24/87/39/268248739.db2.gz OUVXJJRYVUXOEN-NWANDNLSSA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[NH2+]1 ZINC000122720092 274362977 /nfs/dbraw/zinc/36/29/77/274362977.db2.gz HURDCCSQECGIED-SECBINFHSA-N 1 0 269.270 2.375 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094593346 274374407 /nfs/dbraw/zinc/37/44/07/274374407.db2.gz FURZVBKWKXNRDP-BXUZGUMPSA-N 1 0 286.335 2.139 10 30 CEEERO N#Cc1c(F)cccc1N1CCC2(C1)CC[NH2+]CC2 ZINC000335294506 274918003 /nfs/dbraw/zinc/91/80/03/274918003.db2.gz DYPLFTYSFZUICT-UHFFFAOYSA-N 1 0 259.328 2.277 10 30 CEEERO C#CCCCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000159443050 275379146 /nfs/dbraw/zinc/37/91/46/275379146.db2.gz FTDHVOUNPGYXOH-INIZCTEOSA-N 1 0 287.407 2.392 10 30 CEEERO CC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246422515 277046606 /nfs/dbraw/zinc/04/66/06/277046606.db2.gz RYEUYVUUYUUFCX-MLGOLLRUSA-N 1 0 271.364 2.220 10 30 CEEERO C[NH2+]CCN(C)c1ccc(C(F)(F)F)cc1C#N ZINC000070304502 277270895 /nfs/dbraw/zinc/27/08/95/277270895.db2.gz VBMODPYXZLNKQP-UHFFFAOYSA-N 1 0 257.259 2.233 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094337379 277295234 /nfs/dbraw/zinc/29/52/34/277295234.db2.gz RYKYTJMSKWXBGX-SNVBAGLBSA-N 1 0 284.285 2.160 10 30 CEEERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000300591894 280579073 /nfs/dbraw/zinc/57/90/73/280579073.db2.gz WXJFHXAMKNALMM-VHDGCEQUSA-N 1 0 274.364 2.076 10 30 CEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])NC(C)C)C2)cc1F ZINC000261656480 329974797 /nfs/dbraw/zinc/97/47/97/329974797.db2.gz HWDWQNQWTRUUNU-HAQNSBGRSA-N 1 0 279.359 2.393 10 30 CEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CCC)cc1 ZINC000262309454 330005352 /nfs/dbraw/zinc/00/53/52/330005352.db2.gz NIBBJPZLUBYNID-ZDUSSCGKSA-N 1 0 290.367 2.060 10 30 CEEERO CC(C)NC(=[NH2+])N[C@H]1COc2cccc(Cl)c21 ZINC000262322982 330005921 /nfs/dbraw/zinc/00/59/21/330005921.db2.gz WFKBKRJYENVWNI-VIFPVBQESA-N 1 0 253.733 2.086 10 30 CEEERO C=CCNC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262344343 330007237 /nfs/dbraw/zinc/00/72/37/330007237.db2.gz DIVJHZRDVYLPTH-KWQFWETISA-N 1 0 267.735 2.425 10 30 CEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@H]1C1CC1 ZINC000262417382 330008987 /nfs/dbraw/zinc/00/89/87/330008987.db2.gz MMFOBDXLBXDNST-GXTWGEPZSA-N 1 0 259.353 2.358 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000262422108 330009214 /nfs/dbraw/zinc/00/92/14/330009214.db2.gz RCFSBKPEOVEIQT-IYDIDCQVSA-N 1 0 287.407 2.299 10 30 CEEERO C[NH+]=C(NC(C)C)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262372033 330011329 /nfs/dbraw/zinc/01/13/29/330011329.db2.gz IVFQGBJHEOWSQV-JOYOIKCWSA-N 1 0 267.323 2.394 10 30 CEEERO C[C@H]1CCCN(C(=[NH2+])N[C@H]2COc3ccc(F)cc32)C1 ZINC000262436551 330012848 /nfs/dbraw/zinc/01/28/48/330012848.db2.gz TYNMDQKIZJYIRO-GWCFXTLKSA-N 1 0 277.343 2.306 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1CCC[C@H]1C#N ZINC000262439018 330013102 /nfs/dbraw/zinc/01/31/02/330013102.db2.gz UIOXASVIAAPRGY-RWMBFGLXSA-N 1 0 262.401 2.280 10 30 CEEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262468005 330015104 /nfs/dbraw/zinc/01/51/04/330015104.db2.gz YQCSMFWMEWCTMC-YVECIDJPSA-N 1 0 267.417 2.009 10 30 CEEERO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262512368 330019019 /nfs/dbraw/zinc/01/90/19/330019019.db2.gz DSSUPNMOMYSGDN-HOTUBEGUSA-N 1 0 299.777 2.274 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@H]1NC(=[NH2+])NC(C)C ZINC000262522165 330022847 /nfs/dbraw/zinc/02/28/47/330022847.db2.gz JAQFTUYHHLMLOF-HIFRSBDPSA-N 1 0 261.369 2.038 10 30 CEEERO CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CC12CC2 ZINC000263117355 330044542 /nfs/dbraw/zinc/04/45/42/330044542.db2.gz LPBXIILUJIQPHU-AWEZNQCLSA-N 1 0 257.381 2.494 10 30 CEEERO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263527181 330058945 /nfs/dbraw/zinc/05/89/45/330058945.db2.gz UPFSWUMCZVRKDD-MRFVTOPCSA-N 1 0 268.401 2.114 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184376019 333127782 /nfs/dbraw/zinc/12/77/82/333127782.db2.gz ICTXKUJBXSFUGF-LSDHHAIUSA-N 1 0 296.455 2.140 10 30 CEEERO CC[C@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000245410119 334190796 /nfs/dbraw/zinc/19/07/96/334190796.db2.gz PMEGMHXSKFXABT-GJZGRUSLSA-N 1 0 281.444 2.093 10 30 CEEERO CC(C)COC(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049587424 519750490 /nfs/dbraw/zinc/75/04/90/519750490.db2.gz FDUCEAOREFOJHU-UHFFFAOYSA-N 1 0 274.364 2.221 10 30 CEEERO CC[NH2+]C(C)(C)C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000061291403 519906015 /nfs/dbraw/zinc/90/60/15/519906015.db2.gz WZHITIKLDXDBAJ-LLVKDONJSA-N 1 0 259.353 2.124 10 30 CEEERO CCCN[C@](C#N)(CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069079244 520100461 /nfs/dbraw/zinc/10/04/61/520100461.db2.gz FUKKMKWCDRAAGD-QGZVFWFLSA-N 1 0 294.487 2.178 10 30 CEEERO CCCC[N@H+](C)Cc1ccc(OC)c(C#CCO)c1 ZINC000049616392 520420240 /nfs/dbraw/zinc/42/02/40/520420240.db2.gz JPVLQLDOCDAXPV-UHFFFAOYSA-N 1 0 261.365 2.271 10 30 CEEERO CCCCNC(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587464 520644555 /nfs/dbraw/zinc/64/45/55/520644555.db2.gz CUURZEYLWBOFNG-CYBMUJFWSA-N 1 0 273.380 2.157 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(CCC)CC1 ZINC000049545446 518282380 /nfs/dbraw/zinc/28/23/80/518282380.db2.gz KHNBSEKSKMZJFV-IYXRBSQSSA-N 1 0 250.386 2.073 10 30 CEEERO C#CCOc1ccc(C[NH2+]CCCOC)cc1OCC ZINC000045945970 518325664 /nfs/dbraw/zinc/32/56/64/518325664.db2.gz DZJYEPQQSXKYAT-UHFFFAOYSA-N 1 0 277.364 2.223 10 30 CEEERO C=CC[NH+](CC=C)C[C@H](O)COCc1ccccc1 ZINC000068048754 518770586 /nfs/dbraw/zinc/77/05/86/518770586.db2.gz QMPNWMBIVZGSOB-INIZCTEOSA-N 1 0 261.365 2.238 10 30 CEEERO CC(C)CN(CCC#N)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061612192 519715006 /nfs/dbraw/zinc/71/50/06/519715006.db2.gz OTGLVAGGICLGEM-OAHLLOKOSA-N 1 0 273.380 2.127 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652792 519735692 /nfs/dbraw/zinc/73/56/92/519735692.db2.gz GLIZFMCCSUSVFV-HZPDHXFCSA-N 1 0 280.460 2.073 10 30 CEEERO CCCC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691973 519877085 /nfs/dbraw/zinc/87/70/85/519877085.db2.gz ZUWXBHARAXPTSZ-UHFFFAOYSA-N 1 0 250.729 2.389 10 30 CEEERO CC(C)n1cc(NC(=O)c2ccc(C#CC[NH3+])s2)cn1 ZINC000061684441 519964734 /nfs/dbraw/zinc/96/47/34/519964734.db2.gz HKUHFQJZYLEWHZ-UHFFFAOYSA-N 1 0 288.376 2.088 10 30 CEEERO CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000061231501 519967051 /nfs/dbraw/zinc/96/70/51/519967051.db2.gz NNBLKNBHLXDRQY-VIFPVBQESA-N 1 0 265.744 2.396 10 30 CEEERO CC[NH2+][C@@H](C)CC(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000061270612 520067345 /nfs/dbraw/zinc/06/73/45/520067345.db2.gz WYYCMQXVANDEDE-NWDGAFQWSA-N 1 0 259.353 2.124 10 30 CEEERO CCCN[C@](C#N)(CN1CC[NH+]([C@@H](C)CC)CC1)C1CC1 ZINC000069082513 520100190 /nfs/dbraw/zinc/10/01/90/520100190.db2.gz UMYDJPAHUBYRCX-DOTOQJQBSA-N 1 0 292.471 2.074 10 30 CEEERO CC[NH2+][C@H](C)c1nnn(-c2ccc(F)c(C#N)c2)c1C ZINC000051638339 520183092 /nfs/dbraw/zinc/18/30/92/520183092.db2.gz GJWLJGJFERAVGK-SECBINFHSA-N 1 0 273.315 2.257 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613195 520226031 /nfs/dbraw/zinc/22/60/31/520226031.db2.gz ARHCMDJGXNXRQV-HOCLYGCPSA-N 1 0 280.460 2.073 10 30 CEEERO CCOc1cc(C[NH2+]CCOC)ccc1O[C@@H](C)C#N ZINC000062731247 520716752 /nfs/dbraw/zinc/71/67/52/520716752.db2.gz CBVCFLZJQBLKQC-LBPRGKRZSA-N 1 0 278.352 2.112 10 30 CEEERO CCC[C@H](C)C(=O)Nc1cc(C#CC[NH3+])ccc1OC ZINC000049587325 521006638 /nfs/dbraw/zinc/00/66/38/521006638.db2.gz PRCDZLLTNMSMJQ-LBPRGKRZSA-N 1 0 274.364 2.380 10 30 CEEERO CCN(c1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000061812514 521504464 /nfs/dbraw/zinc/50/44/64/521504464.db2.gz FRMOLLCWOWZQSH-ODOQXGPZSA-N 1 0 256.353 2.063 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCO)cc1F)C[C@@H]1CCCCO1 ZINC000049613700 523208285 /nfs/dbraw/zinc/20/82/85/523208285.db2.gz MSTAUEFRPKJWMJ-INIZCTEOSA-N 1 0 291.366 2.170 10 30 CEEERO C[N@@H+](Cc1ccc(F)cc1C#CCCO)CC1CC1 ZINC000049613555 523252350 /nfs/dbraw/zinc/25/23/50/523252350.db2.gz ZLGILAARLQJPHE-UHFFFAOYSA-N 1 0 261.340 2.401 10 30 CEEERO C[N@H+](Cc1ccc(F)cc1C#CCO)[C@@H]1CCSC1 ZINC000049617836 523252998 /nfs/dbraw/zinc/25/29/98/523252998.db2.gz QOITUUFSOCSLMY-OAHLLOKOSA-N 1 0 279.380 2.107 10 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CEEERO Cc1nn(Cc2cccc(C#CC[NH3+])c2)c(C)c1C ZINC000049610246 526292622 /nfs/dbraw/zinc/29/26/22/526292622.db2.gz UEXAZKLRZJXIKY-UHFFFAOYSA-N 1 0 253.349 2.167 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000061610869 526658020 /nfs/dbraw/zinc/65/80/20/526658020.db2.gz RZAJSTPLGSJNQU-OAHLLOKOSA-N 1 0 265.316 2.239 10 30 CEEERO N#Cc1cccc(-c2c[nH]c(CC[NH2+]C3CC3)n2)c1 ZINC000070092752 526693784 /nfs/dbraw/zinc/69/37/84/526693784.db2.gz GYZCITRWFOOBHO-UHFFFAOYSA-N 1 0 252.321 2.243 10 30 CEEERO [NH3+]CC#Cc1cccc(COc2cccc([N+](=O)[O-])c2)c1 ZINC000049611131 527152878 /nfs/dbraw/zinc/15/28/78/527152878.db2.gz OJIPVYWTLWZOQU-UHFFFAOYSA-N 1 0 282.299 2.484 10 30 CEEERO [NH3+]CC#Cc1ccccc1COc1ccc2c(c1)OCO2 ZINC000049610854 527154508 /nfs/dbraw/zinc/15/45/08/527154508.db2.gz KBKRWZHVGDPKQL-UHFFFAOYSA-N 1 0 281.311 2.305 10 30 CEEERO Cc1ncsc1C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586621 527474940 /nfs/dbraw/zinc/47/49/40/527474940.db2.gz OGNDBEHGJSOFNN-UHFFFAOYSA-N 1 0 299.399 2.034 10 30 CEEERO OCC#Cc1cccc(OCC[NH+]2CCCCCC2)c1 ZINC000049616127 527519599 /nfs/dbraw/zinc/51/95/99/527519599.db2.gz MAUUJBHPKQCOEA-UHFFFAOYSA-N 1 0 273.376 2.285 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1[NH3+] ZINC000261574807 623335726 /nfs/dbraw/zinc/33/57/26/623335726.db2.gz XZWGKZCSEYGLLZ-QPUJVOFHSA-N 1 0 269.270 2.360 10 30 CEEERO CCN(c1nc(C)c(C#N)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000311130767 627373557 /nfs/dbraw/zinc/37/35/57/627373557.db2.gz QUXUEYCYZUVHAZ-NSHDSACASA-N 1 0 264.760 2.103 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C[C@H](O)c1ccc(C#N)cc1 ZINC000092628743 628206454 /nfs/dbraw/zinc/20/64/54/628206454.db2.gz USSVKFHPDNWJHS-IRXDYDNUSA-N 1 0 287.407 2.008 10 30 CEEERO CC[NH+]=C(NC[C@]1(C)CCCS1)N[C@@H]1C[C@H]1C ZINC000262019282 629445063 /nfs/dbraw/zinc/44/50/63/629445063.db2.gz YLOIGTNDQGKBFG-WZRBSPASSA-N 1 0 255.431 2.236 10 30 CEEERO COC[C@]1(CNc2cc(C#N)c3ccccc3n2)CCC[NH2+]1 ZINC000262485868 631021464 /nfs/dbraw/zinc/02/14/64/631021464.db2.gz KLZAMAMUJFXYGJ-QGZVFWFLSA-N 1 0 296.374 2.287 10 30 CEEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000089147984 640089654 /nfs/dbraw/zinc/08/96/54/640089654.db2.gz QCRQHVYBQYANRS-RYUDHWBXSA-N 1 0 267.373 2.183 10 30 CEEERO N#Cc1cc(NC[C@H]2CC[NH2+]C2)nc2ccccc12 ZINC000133811287 652725938 /nfs/dbraw/zinc/72/59/38/652725938.db2.gz BQROYNKFONUFFB-NSHDSACASA-N 1 0 252.321 2.128 10 30 CEEERO CC[N@@H+]1CCC[C@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124749910 187151616 /nfs/dbraw/zinc/15/16/16/187151616.db2.gz QKCUJYAEUXUVPM-LBPRGKRZSA-N 1 0 274.324 2.363 10 30 CEEERO C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000124863390 187158562 /nfs/dbraw/zinc/15/85/62/187158562.db2.gz YTWCNRVCYKWBAJ-JQWIXIFHSA-N 1 0 274.324 2.266 10 30 CEEERO N#Cc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000127861336 187336941 /nfs/dbraw/zinc/33/69/41/187336941.db2.gz GZRUTIDJGAVPAC-MFKMUULPSA-N 1 0 274.324 2.396 10 30 CEEERO C[NH+]1CCN(CC#CCCC2SCCCS2)CC1 ZINC000022940113 343380512 /nfs/dbraw/zinc/38/05/12/343380512.db2.gz GANGEYCFMHJZAG-UHFFFAOYSA-N 1 0 284.494 2.214 10 30 CEEERO COc1cc([C@H](C#N)CC[NH+](C)C)cc(OC)c1OC ZINC000034504534 343420042 /nfs/dbraw/zinc/42/00/42/343420042.db2.gz ITUCQVABRZQPLR-NSHDSACASA-N 1 0 278.352 2.271 10 30 CEEERO CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(C#N)c1 ZINC000048069275 362244749 /nfs/dbraw/zinc/24/47/49/362244749.db2.gz RIPDCVBXUDAZDD-OAHLLOKOSA-N 1 0 273.380 2.264 10 30 CEEERO CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)C ZINC000158825005 344452312 /nfs/dbraw/zinc/45/23/12/344452312.db2.gz ZFXVKZHMNUPEOL-HNNXBMFYSA-N 1 0 294.420 2.356 10 30 CEEERO N#Cc1ccc(NCC[NH2+]C2CC2)c(Br)c1 ZINC000169223795 344481442 /nfs/dbraw/zinc/48/14/42/344481442.db2.gz PXSYUKJVRQUPAK-UHFFFAOYSA-N 1 0 280.169 2.485 10 30 CEEERO C[C@@H]([NH3+])CNc1cc(Br)cc(C#N)c1 ZINC000227644044 344556042 /nfs/dbraw/zinc/55/60/42/344556042.db2.gz CKYNQVFHOKXJJO-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO C#C[C@H]([NH3+])c1ccc(F)cc1I ZINC000236290523 344594704 /nfs/dbraw/zinc/59/47/04/344594704.db2.gz DLRGHEPGKFNYLV-VIFPVBQESA-N 1 0 275.064 2.063 10 30 CEEERO CC[C@H]1CN(c2nc3c(cc2C#N)CCC3)CC[C@H]1[NH3+] ZINC000251934855 344637894 /nfs/dbraw/zinc/63/78/94/344637894.db2.gz ZQLNTAIIXVNAPJ-SMDDNHRTSA-N 1 0 270.380 2.006 10 30 CEEERO C[C@H]([NH2+]CC1(O)CCSCC1)c1ccc(C#N)cc1 ZINC000305765805 344710828 /nfs/dbraw/zinc/71/08/28/344710828.db2.gz FDLLXRGLJQVLPZ-LBPRGKRZSA-N 1 0 276.405 2.467 10 30 CEEERO N#Cc1cccnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594693442 345673255 /nfs/dbraw/zinc/67/32/55/345673255.db2.gz OQQHAOZPJFENDH-OAHLLOKOSA-N 1 0 270.380 2.169 10 30 CEEERO C[C@@H]1C[C@@H]([NH3+])CN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000094553496 136513988 /nfs/dbraw/zinc/51/39/88/136513988.db2.gz AXMFVXBXMBCHKV-PSASIEDQSA-N 1 0 284.285 2.146 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368555 179038040 /nfs/dbraw/zinc/03/80/40/179038040.db2.gz SCJDRKWDQMEZEW-ZFWWWQNUSA-N 1 0 289.354 2.173 10 30 CEEERO CCc1nnc(NC[C@]2(C)CCC[NH2+]C2)c(C#N)c1CC ZINC000129369902 365851627 /nfs/dbraw/zinc/85/16/27/365851627.db2.gz SWYVNGWJSNIRHE-MRXNPFEDSA-N 1 0 287.411 2.275 10 30 CEEERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000602931417 347250743 /nfs/dbraw/zinc/25/07/43/347250743.db2.gz VAAJHNPYKPHDGU-UKRRQHHQSA-N 1 0 274.364 2.172 10 30 CEEERO C[N@@H+]1CCC[C@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000085920138 179199879 /nfs/dbraw/zinc/19/98/79/179199879.db2.gz GFPBHYDAMCEYAL-NSHDSACASA-N 1 0 267.336 2.008 10 30 CEEERO CN(CC[NH2+]C1CC(C#N)(c2ccccc2)C1)C1CC1 ZINC000086038144 179221129 /nfs/dbraw/zinc/22/11/29/179221129.db2.gz OACRIYJVEOUBEN-UHFFFAOYSA-N 1 0 269.392 2.294 10 30 CEEERO C#CCN1C[C@](C)(C2CC2)[NH2+]C[C@H]1c1ccccc1 ZINC000086222866 179251002 /nfs/dbraw/zinc/25/10/02/179251002.db2.gz NNWKQRJNIWFGKM-DLBZAZTESA-N 1 0 254.377 2.435 10 30 CEEERO C[NH+](C)CCc1nc2cc(C#N)ccc2n1C1CC1 ZINC000086636644 179315264 /nfs/dbraw/zinc/31/52/64/179315264.db2.gz GHNYAPVCAFSKAO-UHFFFAOYSA-N 1 0 254.337 2.347 10 30 CEEERO CC1(C)CCC(O)(C[NH2+]Cc2cccnc2C#N)CC1 ZINC000087063606 179390006 /nfs/dbraw/zinc/39/00/06/179390006.db2.gz YXIPXHWPNJPCQL-UHFFFAOYSA-N 1 0 273.380 2.374 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)C(C)(C)C(C)(C)[NH3+] ZINC000087628042 179459092 /nfs/dbraw/zinc/45/90/92/179459092.db2.gz JRZAFCYIYMPLHI-UHFFFAOYSA-N 1 0 291.370 2.419 10 30 CEEERO C[NH2+]CCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191414 179562190 /nfs/dbraw/zinc/56/21/90/179562190.db2.gz PHIUKTNRFXAAQU-UHFFFAOYSA-N 1 0 271.242 2.125 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089108762 179704862 /nfs/dbraw/zinc/70/48/62/179704862.db2.gz BSGWAUDUUGHZOR-YPMHNXCESA-N 1 0 281.363 2.431 10 30 CEEERO COc1ccc(CO[C@H](C)C(F)(F)F)cc1C#CC[NH3+] ZINC000090673651 180021802 /nfs/dbraw/zinc/02/18/02/180021802.db2.gz HEPOQKMTCAILAH-SNVBAGLBSA-N 1 0 287.281 2.473 10 30 CEEERO C#CCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]C(C)C)c1 ZINC000090871950 180049808 /nfs/dbraw/zinc/04/98/08/180049808.db2.gz ACGHEDWVBAPOAT-CYBMUJFWSA-N 1 0 290.432 2.415 10 30 CEEERO N#Cc1ncccc1Cn1cccc1C[NH2+]C1CC1 ZINC000091001507 180083168 /nfs/dbraw/zinc/08/31/68/180083168.db2.gz NLWAZHYQZNDYAK-UHFFFAOYSA-N 1 0 252.321 2.055 10 30 CEEERO C[C@H](CCO)SCc1ccc(F)c(C#CC[NH3+])c1 ZINC000091266357 180117058 /nfs/dbraw/zinc/11/70/58/180117058.db2.gz YABJZMGWQPMOBT-LLVKDONJSA-N 1 0 267.369 2.140 10 30 CEEERO COc1ccc(C#CC[NH3+])c(CS[C@H](C)CCO)c1 ZINC000091266324 180117316 /nfs/dbraw/zinc/11/73/16/180117316.db2.gz CWYLBLPHDXNDAJ-GFCCVEGCSA-N 1 0 279.405 2.010 10 30 CEEERO CC[C@H]1CCC[C@H](NC(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091463581 180162212 /nfs/dbraw/zinc/16/22/12/180162212.db2.gz BIVHYDUCTSYBRB-ZFWWWQNUSA-N 1 0 285.391 2.090 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091542087 180184711 /nfs/dbraw/zinc/18/47/11/180184711.db2.gz KADUWBRLIVLXRS-QWRGUYRKSA-N 1 0 261.300 2.072 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)N2CCCCC2)cc1 ZINC000091969672 180295000 /nfs/dbraw/zinc/29/50/00/180295000.db2.gz OWMXWZIQJPTMGK-UHFFFAOYSA-N 1 0 257.337 2.015 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000092112321 180327259 /nfs/dbraw/zinc/32/72/59/180327259.db2.gz MCCWVWMWFUGFMC-ZIAGYGMSSA-N 1 0 270.376 2.033 10 30 CEEERO C=C(C)C[C@@H]([NH2+]CC)[C@](C)(CC)N1CCOCC1 ZINC000092130168 180329962 /nfs/dbraw/zinc/32/99/62/180329962.db2.gz VGEVDOPAZLEKSU-CABCVRRESA-N 1 0 254.418 2.432 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C ZINC000092473762 180392541 /nfs/dbraw/zinc/39/25/41/180392541.db2.gz JNKKRFNTIYVENY-CHWSQXEVSA-N 1 0 252.402 2.483 10 30 CEEERO C#CC[NH2+]CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000092492885 180397021 /nfs/dbraw/zinc/39/70/21/180397021.db2.gz ZZIDTMWDPKFERX-UHFFFAOYSA-N 1 0 285.174 2.175 10 30 CEEERO CCCC(C#N)(CCC)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000110250181 186288487 /nfs/dbraw/zinc/28/84/87/186288487.db2.gz QKFHKHCUVWTCFA-CYBMUJFWSA-N 1 0 265.401 2.259 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2)CC1 ZINC000110817785 186327608 /nfs/dbraw/zinc/32/76/08/186327608.db2.gz DYQBTZPUERYWJS-AWEZNQCLSA-N 1 0 270.376 2.259 10 30 CEEERO COc1c(CN(C)Cc2cccc(C#N)c2)c(C)nn1C ZINC000130771189 365989438 /nfs/dbraw/zinc/98/94/38/365989438.db2.gz LLQAGVUPDRKVJV-UHFFFAOYSA-N 1 0 284.363 2.241 10 30 CEEERO C[N@@H+](Cc1ccc(F)c(C#CCO)c1)C[C@@H]1CCCOC1 ZINC000111168188 186363608 /nfs/dbraw/zinc/36/36/08/186363608.db2.gz DQMZNGHWDWHBAS-HNNXBMFYSA-N 1 0 291.366 2.028 10 30 CEEERO C[N@@H+](Cc1sccc1C#CCCO)CC1CCOCC1 ZINC000111168378 186364494 /nfs/dbraw/zinc/36/44/94/186364494.db2.gz KVGMSIVXYDTBQD-UHFFFAOYSA-N 1 0 293.432 2.340 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169114 186364792 /nfs/dbraw/zinc/36/47/92/186364792.db2.gz SCGNRNQNVRHSSS-JKSUJKDBSA-N 1 0 281.444 2.405 10 30 CEEERO N#Cc1cc(F)ccc1NCCCOC1CC[NH2+]CC1 ZINC000111792613 186458067 /nfs/dbraw/zinc/45/80/67/186458067.db2.gz AYNDYYRRIANJSD-UHFFFAOYSA-N 1 0 277.343 2.268 10 30 CEEERO C[C@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000133708882 366249923 /nfs/dbraw/zinc/24/99/23/366249923.db2.gz RXIWWPMBWKQHIG-UFBFGSQYSA-N 1 0 251.280 2.010 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000089108778 363932470 /nfs/dbraw/zinc/93/24/70/363932470.db2.gz VOUNCNQPEHVRHT-MFKMUULPSA-N 1 0 274.324 2.396 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nc(C)ccc1C#N ZINC000092631249 364090002 /nfs/dbraw/zinc/09/00/02/364090002.db2.gz ZIBSMDRUKJCFKZ-CQSZACIVSA-N 1 0 258.369 2.182 10 30 CEEERO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000092797134 364107355 /nfs/dbraw/zinc/10/73/55/364107355.db2.gz LZHDVPXIJMUKNO-ZDUSSCGKSA-N 1 0 275.352 2.179 10 30 CEEERO C[NH+](C)[C@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000105569336 364701663 /nfs/dbraw/zinc/70/16/63/364701663.db2.gz NPORPENNIBIHAI-ZDUSSCGKSA-N 1 0 266.348 2.247 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)cc2Br)CC[NH2+]1 ZINC000116942737 365081993 /nfs/dbraw/zinc/08/19/93/365081993.db2.gz LWZOMHJHCUYPBR-VIFPVBQESA-N 1 0 280.169 2.119 10 30 CEEERO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000119471912 365278059 /nfs/dbraw/zinc/27/80/59/365278059.db2.gz HAHPZLDNOMMLIC-LSDHHAIUSA-N 1 0 282.428 2.204 10 30 CEEERO C=CCC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)C1CC1 ZINC000119994177 365357018 /nfs/dbraw/zinc/35/70/18/365357018.db2.gz NXJQXARQAXXUMO-DZGCQCFKSA-N 1 0 252.402 2.042 10 30 CEEERO COCC[N@@H+]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000187681916 369203278 /nfs/dbraw/zinc/20/32/78/369203278.db2.gz NBCHTUNVYFYEAA-GJZGRUSLSA-N 1 0 287.407 2.272 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1C#N ZINC000247196397 371075225 /nfs/dbraw/zinc/07/52/25/371075225.db2.gz LKXSQFXMMRCBRZ-ZBFHGGJFSA-N 1 0 285.391 2.106 10 30 CEEERO Cc1sc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)c(C#N)c1C ZINC000092956050 184637739 /nfs/dbraw/zinc/63/77/39/184637739.db2.gz JSHJIDFLDLRJCH-SCZZXKLOSA-N 1 0 263.366 2.173 10 30 CEEERO N#CCc1ccc(NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000094566681 184819327 /nfs/dbraw/zinc/81/93/27/184819327.db2.gz PSRNIBCHFMOABV-UHFFFAOYSA-N 1 0 255.277 2.057 10 30 CEEERO N#Cc1ccc2nc(N3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000245544419 394501253 /nfs/dbraw/zinc/50/12/53/394501253.db2.gz UKATWZCISIZVMX-HNNXBMFYSA-N 1 0 278.359 2.391 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CC#Cc1ccccc1 ZINC000192053112 395372239 /nfs/dbraw/zinc/37/22/39/395372239.db2.gz FWKVMCUYNUTGTK-QGZVFWFLSA-N 1 0 256.393 2.454 10 30 CEEERO C=CCOCC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000302328170 400331270 /nfs/dbraw/zinc/33/12/70/400331270.db2.gz FVUFYWRGBNYYLQ-GJZGRUSLSA-N 1 0 252.402 2.138 10 30 CEEERO C[C@@H]1CN(Cc2cccc(C#N)c2F)C[C@@H]1[NH+](C)C ZINC000223571872 153317667 /nfs/dbraw/zinc/31/76/67/153317667.db2.gz JNZXNTDLPUZEKZ-RISCZKNCSA-N 1 0 261.344 2.079 10 30 CEEERO Cc1nc(N2CCC[C@@H]([C@@H](C)[NH3+])C2)c(Cl)cc1C#N ZINC000261643282 153798829 /nfs/dbraw/zinc/79/88/29/153798829.db2.gz XDLKPPQDYVFQHC-MWLCHTKSSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000131804273 162299180 /nfs/dbraw/zinc/29/91/80/162299180.db2.gz SIGTYRBIYTYPQD-CABZTGNLSA-N 1 0 260.297 2.006 10 30 CEEERO N#Cc1cc(Br)ccc1NC[C@H]1CC[NH2+]C1 ZINC000165308056 162345194 /nfs/dbraw/zinc/34/51/94/162345194.db2.gz HBRLYRZLTCXSIE-VIFPVBQESA-N 1 0 280.169 2.342 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H]2C[NH3+])c(Br)c1 ZINC000169228627 165038197 /nfs/dbraw/zinc/03/81/97/165038197.db2.gz POLJDSWHKYHXHX-SNVBAGLBSA-N 1 0 280.169 2.248 10 30 CEEERO C[NH+](C)CCN[C@H](C#N)c1c(F)cccc1Cl ZINC000020175256 171041730 /nfs/dbraw/zinc/04/17/30/171041730.db2.gz BVNWIUOWAGGOPL-LLVKDONJSA-N 1 0 255.724 2.195 10 30 CEEERO CC(C)Oc1ccc([C@H](C#N)NCC[NH+](C)C)cc1 ZINC000020176546 171042452 /nfs/dbraw/zinc/04/24/52/171042452.db2.gz XYVQRQKJZDSDRN-HNNXBMFYSA-N 1 0 261.369 2.190 10 30 CEEERO C#C[C@H]1CN2CC[C@H]1C[C@@H]2C[NH2+]Cc1cccs1 ZINC000020503775 171227718 /nfs/dbraw/zinc/22/77/18/171227718.db2.gz ZIGBLQZCMSASSI-MELADBBJSA-N 1 0 260.406 2.181 10 30 CEEERO Cc1ccc(OCc2ccncc2)c(C#CC[NH3+])c1 ZINC000037548022 173264901 /nfs/dbraw/zinc/26/49/01/173264901.db2.gz BPZMVHBBYJFHCA-UHFFFAOYSA-N 1 0 252.317 2.279 10 30 CEEERO N#CCOc1cccc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038054758 174066195 /nfs/dbraw/zinc/06/61/95/174066195.db2.gz NDLQKDHCSSRUTJ-AWEZNQCLSA-N 1 0 260.337 2.248 10 30 CEEERO C[C@@H]([NH2+]CCc1nccn1C)c1ccc(OCC#N)cc1 ZINC000040639121 174364069 /nfs/dbraw/zinc/36/40/69/174364069.db2.gz RXZFQLJWYFKALK-CYBMUJFWSA-N 1 0 284.363 2.216 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1ccccn1 ZINC000043342976 175015654 /nfs/dbraw/zinc/01/56/54/175015654.db2.gz UPAHQUYKHHOWQP-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO [NH3+]CC#Cc1csc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043689142 175096241 /nfs/dbraw/zinc/09/62/41/175096241.db2.gz WIRMKLBMVJZCSS-JKSUJKDBSA-N 1 0 290.432 2.202 10 30 CEEERO COC1CC[NH+](Cc2cc(C#CCCO)cs2)CC1 ZINC000043698589 175096895 /nfs/dbraw/zinc/09/68/95/175096895.db2.gz PEQBOSNFJKDGFC-UHFFFAOYSA-N 1 0 279.405 2.093 10 30 CEEERO CCC(C#N)(CC)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC000044766259 175249478 /nfs/dbraw/zinc/24/94/78/175249478.db2.gz BSEZBWBVDCXHNK-UHFFFAOYSA-N 1 0 265.401 2.259 10 30 CEEERO C[N@H+](CCOc1ccc(C#CCO)cc1)CC(C)(C)C ZINC000045086810 175304098 /nfs/dbraw/zinc/30/40/98/175304098.db2.gz QISVPOGNLOECJA-UHFFFAOYSA-N 1 0 275.392 2.387 10 30 CEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045181890 175324811 /nfs/dbraw/zinc/32/48/11/175324811.db2.gz FSJFNZMLZUDLLY-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](C)C1CCN(C)CC1 ZINC000045307906 175356453 /nfs/dbraw/zinc/35/64/53/175356453.db2.gz HQAVGCBYSBNBGX-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CC[NH+](C(C)C)CC1 ZINC000045311477 175356838 /nfs/dbraw/zinc/35/68/38/175356838.db2.gz DGVPHMHVVGFVFJ-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@@H+]1CCOC[C@@H]1CC ZINC000045312030 175357016 /nfs/dbraw/zinc/35/70/16/175357016.db2.gz VFJNVSROXWYSJJ-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](CCOC)CC(C)C ZINC000045314974 175357232 /nfs/dbraw/zinc/35/72/32/175357232.db2.gz BJEFARILXZBCHO-HNNXBMFYSA-N 1 0 269.433 2.263 10 30 CEEERO CC[C@H]1COCC[N@@H+]1CCC[C@@](C)(C#N)NC(C)C ZINC000045312037 175357258 /nfs/dbraw/zinc/35/72/58/175357258.db2.gz DKEHJLLTLKWFPI-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO Cc1ccc(C#N)cc1N1CCC[C@H]([NH2+]C(C)C)C1=O ZINC000071042250 176028695 /nfs/dbraw/zinc/02/86/95/176028695.db2.gz WHAALCZKPKIQMR-AWEZNQCLSA-N 1 0 271.364 2.360 10 30 CEEERO COCCN(CCC#N)[C@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000071222035 176087855 /nfs/dbraw/zinc/08/78/55/176087855.db2.gz XJVIWTSPNUTNPA-OCCSQVGLSA-N 1 0 281.425 2.307 10 30 CEEERO C=CCCOc1cc(C[NH2+]CCOC)ccc1[N+](=O)[O-] ZINC000071275041 176105977 /nfs/dbraw/zinc/10/59/77/176105977.db2.gz REJRNZJGKUCEQQ-UHFFFAOYSA-N 1 0 280.324 2.286 10 30 CEEERO CC(C)(C)SCC(=O)NCc1cc(C#CC[NH3+])cs1 ZINC000071322526 176122835 /nfs/dbraw/zinc/12/28/35/176122835.db2.gz MIYBXNPESPOYES-UHFFFAOYSA-N 1 0 296.461 2.206 10 30 CEEERO CC(C)n1c(C[NH3+])nnc1SCc1ccccc1C#N ZINC000071374214 176139469 /nfs/dbraw/zinc/13/94/69/176139469.db2.gz CTTCILGHQFBHIL-UHFFFAOYSA-N 1 0 287.392 2.482 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406888 176156520 /nfs/dbraw/zinc/15/65/20/176156520.db2.gz GSSRPKZCUHSQIL-CYBMUJFWSA-N 1 0 288.391 2.317 10 30 CEEERO C=CCSCC(=O)NCCCC[NH+](CC)CC ZINC000071541843 176196105 /nfs/dbraw/zinc/19/61/05/176196105.db2.gz NHHYKHBDISGUHB-UHFFFAOYSA-N 1 0 258.431 2.144 10 30 CEEERO C=CCNC(=O)[C@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000076656955 177046094 /nfs/dbraw/zinc/04/60/94/177046094.db2.gz NYUUECOSVJQCDH-GFCCVEGCSA-N 1 0 252.745 2.075 10 30 CEEERO CSCC[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1C ZINC000076772161 177087473 /nfs/dbraw/zinc/08/74/73/177087473.db2.gz HDNQPEXXCPVRCC-JTQLQIEISA-N 1 0 251.399 2.436 10 30 CEEERO Cc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)cc[nH+]1 ZINC000078470703 177343932 /nfs/dbraw/zinc/34/39/32/177343932.db2.gz SWNIBMSDKSWPHG-UHFFFAOYSA-N 1 0 291.307 2.202 10 30 CEEERO CC[NH+]=C(NCc1cnn(C)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000156090112 260779467 /nfs/dbraw/zinc/77/94/67/260779467.db2.gz CBHVIVLFCYLWPV-GJZGRUSLSA-N 1 0 289.427 2.008 10 30 CEEERO CC1(C)CN(c2c(F)cc(C#N)cc2F)CC[NH2+]1 ZINC000212718309 273584783 /nfs/dbraw/zinc/58/47/83/273584783.db2.gz ILBJOOUCDWWQPT-UHFFFAOYSA-N 1 0 251.280 2.025 10 30 CEEERO C[C@@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C[NH3+] ZINC000253203877 274304706 /nfs/dbraw/zinc/30/47/06/274304706.db2.gz ZXTLMEYMDYKTSM-MWLCHTKSSA-N 1 0 298.312 2.393 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1c(C#N)nnc2ccccc21 ZINC000229599680 274632328 /nfs/dbraw/zinc/63/23/28/274632328.db2.gz JFTKYGPMOSNSJP-ZYHUDNBSSA-N 1 0 267.336 2.054 10 30 CEEERO C[C@@H]1CCCN(c2nccc(C#N)c2Cl)[C@@H]1C[NH3+] ZINC000235330524 278485916 /nfs/dbraw/zinc/48/59/16/278485916.db2.gz GSKYSPOEZZLDKG-MWLCHTKSSA-N 1 0 264.760 2.170 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000229608396 279035845 /nfs/dbraw/zinc/03/58/45/279035845.db2.gz WXANXYGQXYNBHB-QPUJVOFHSA-N 1 0 251.280 2.389 10 30 CEEERO C[C@H]1CCN(c2c(F)cc(C#N)cc2F)C[C@H]1C[NH3+] ZINC000253197647 279727225 /nfs/dbraw/zinc/72/72/25/279727225.db2.gz VBJBFUUDFYHTIQ-GXSJLCMTSA-N 1 0 265.307 2.258 10 30 CEEERO C=CCOc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000237937051 327356228 /nfs/dbraw/zinc/35/62/28/327356228.db2.gz LCSIRAJVCNRBHJ-NEPJUHHUSA-N 1 0 260.337 2.317 10 30 CEEERO Cc1nc(C[C@@H]2CCC[N@H+](CCCCC#N)C2)no1 ZINC000171037817 329074360 /nfs/dbraw/zinc/07/43/60/329074360.db2.gz MYFSNQMWNLCFSB-ZDUSSCGKSA-N 1 0 262.357 2.326 10 30 CEEERO CCc1nc2n(n1)C[C@H]([NH2+]CC(C)(C)CCC#N)CC2 ZINC000174362376 329157996 /nfs/dbraw/zinc/15/79/96/329157996.db2.gz MHXJENKJRKSMDZ-GFCCVEGCSA-N 1 0 275.400 2.075 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000174847478 329163832 /nfs/dbraw/zinc/16/38/32/329163832.db2.gz PEDAOROYCILQRG-CYBMUJFWSA-N 1 0 261.373 2.245 10 30 CEEERO CC#CC[N@@H+]1CCC[C@H](N(C)CC(=O)OC(C)(C)C)CC1 ZINC000190499214 329397893 /nfs/dbraw/zinc/39/78/93/329397893.db2.gz CZIGNZRCNDIEFK-HNNXBMFYSA-N 1 0 294.439 2.138 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261723740 329979834 /nfs/dbraw/zinc/97/98/34/329979834.db2.gz KYWSUXZWGJRTSK-AHDPXTMNSA-N 1 0 291.439 2.298 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])NC(C)(C)C ZINC000262507279 330018838 /nfs/dbraw/zinc/01/88/38/330018838.db2.gz BSLJGMZCJJIHAF-CZUORRHYSA-N 1 0 275.396 2.428 10 30 CEEERO [NH2+]=C(NC[C@@H]1CC12CC2)N[C@H]1CCOc2ccccc21 ZINC000263141996 330045766 /nfs/dbraw/zinc/04/57/66/330045766.db2.gz OIIFKQMLHSSQRO-AAEUAGOBSA-N 1 0 271.364 2.215 10 30 CEEERO C[NH+]=C(NCc1scnc1C)N[C@H](C)C(C)C ZINC000263250541 330050562 /nfs/dbraw/zinc/05/05/62/330050562.db2.gz OORYDFOJZHRXCJ-SECBINFHSA-N 1 0 254.403 2.161 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000424066111 330219272 /nfs/dbraw/zinc/21/92/72/330219272.db2.gz NAFJCXVCEBKTOM-DCAQKATOSA-N 1 0 291.317 2.245 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(CC#N)cc2)C1 ZINC000194328968 333269159 /nfs/dbraw/zinc/26/91/59/333269159.db2.gz NJGSFHNYZYXISL-HNNXBMFYSA-N 1 0 286.379 2.358 10 30 CEEERO C=C[C@H](C)Oc1ccc(C[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000062730745 519300833 /nfs/dbraw/zinc/30/08/33/519300833.db2.gz DZSJBCTUVOAWFJ-NSHDSACASA-N 1 0 280.324 2.284 10 30 CEEERO CC[NH2+]C(C)(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000061291401 519905617 /nfs/dbraw/zinc/90/56/17/519905617.db2.gz WZHITIKLDXDBAJ-NSHDSACASA-N 1 0 259.353 2.124 10 30 CEEERO CC(C)N[C@@H](C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000062369206 519733561 /nfs/dbraw/zinc/73/35/61/519733561.db2.gz JXCTXADREDNEKZ-MRXNPFEDSA-N 1 0 257.381 2.325 10 30 CEEERO CC[NH2+]C[C@@H](C)C(=O)Nc1sc(C)c(C)c1C#N ZINC000061267502 519943737 /nfs/dbraw/zinc/94/37/37/519943737.db2.gz SLYGHEIDSKQKEC-MRVPVSSYSA-N 1 0 265.382 2.421 10 30 CEEERO CCN[C@@H](C#N)CC[N@H+](CCOC)C(CC)CC ZINC000062437716 520058943 /nfs/dbraw/zinc/05/89/43/520058943.db2.gz DUBKOAOYSFBIPS-CYBMUJFWSA-N 1 0 255.406 2.015 10 30 CEEERO CCCCNC(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049587418 520641552 /nfs/dbraw/zinc/64/15/52/520641552.db2.gz JNJFHHJGMSRGOZ-ZDUSSCGKSA-N 1 0 273.380 2.157 10 30 CEEERO CC[NH+](CC)Cc1ccc(OC)c(C#CCCO)c1 ZINC000049615651 520755332 /nfs/dbraw/zinc/75/53/32/520755332.db2.gz DYEIJZBKZFBBTP-UHFFFAOYSA-N 1 0 261.365 2.271 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1nnc(CC)c(CC)c1C#N ZINC000160664558 521048310 /nfs/dbraw/zinc/04/83/10/521048310.db2.gz GQFMUFATJVXTOY-NSHDSACASA-N 1 0 275.400 2.402 10 30 CEEERO CCCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000050891011 521147469 /nfs/dbraw/zinc/14/74/69/521147469.db2.gz QEOGFMAUDJGUGG-LBPRGKRZSA-N 1 0 276.355 2.444 10 30 CEEERO C[NH2+]Cc1ccc(OCc2cccnc2C#N)cc1 ZINC000061656418 522123488 /nfs/dbraw/zinc/12/34/88/522123488.db2.gz AKCJSJYRGSYNSE-UHFFFAOYSA-N 1 0 253.305 2.252 10 30 CEEERO CC[C@@H]([NH3+])Cc1nccn1Cc1ccc(C#N)cc1F ZINC000062803024 522646640 /nfs/dbraw/zinc/64/66/40/522646640.db2.gz IRGITRHJTYCOBJ-CYBMUJFWSA-N 1 0 272.327 2.222 10 30 CEEERO C[N@H+](CCc1ccncc1)Cc1ccc(C#CCO)cc1 ZINC000049613423 522976748 /nfs/dbraw/zinc/97/67/48/522976748.db2.gz DJLAIJLMQJZGIJ-UHFFFAOYSA-N 1 0 280.371 2.100 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])cc1)C(=O)c1ccccc1 ZINC000049586587 523202782 /nfs/dbraw/zinc/20/27/82/523202782.db2.gz APLOEFVNXMTUEJ-UHFFFAOYSA-N 1 0 278.355 2.269 10 30 CEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C#CCO ZINC000049614680 523508635 /nfs/dbraw/zinc/50/86/35/523508635.db2.gz KFKVMCIQMFOQAG-WMLDXEAASA-N 1 0 273.376 2.030 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)c1ccsc1 ZINC000049587377 523517762 /nfs/dbraw/zinc/51/77/62/523517762.db2.gz IRRFRXYIARTNMY-UHFFFAOYSA-N 1 0 286.356 2.319 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CSC1CCOCC1 ZINC000062056108 523517881 /nfs/dbraw/zinc/51/78/81/523517881.db2.gz OZZGWIQCPGCKKX-UHFFFAOYSA-N 1 0 291.416 2.418 10 30 CEEERO COc1ccc(C[N@H+](C)C2CC2)cc1C#CCCO ZINC000049617394 524001707 /nfs/dbraw/zinc/00/17/07/524001707.db2.gz UYSLUZZSPXAOOJ-UHFFFAOYSA-N 1 0 259.349 2.023 10 30 CEEERO C[C@@H]1CCC[C@@H](C[NH3+])N1c1ccc([N+](=O)[O-])cc1C#N ZINC000070157851 524287252 /nfs/dbraw/zinc/28/72/52/524287252.db2.gz VYDGBPVJUOQLNT-MFKMUULPSA-N 1 0 274.324 2.173 10 30 CEEERO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1[C@@H](CC#N)c1ccccc1 ZINC000055020527 524390304 /nfs/dbraw/zinc/39/03/04/524390304.db2.gz XYESILWNFZVNAL-QEJZJMRPSA-N 1 0 271.364 2.227 10 30 CEEERO Cc1cc(N(C)CC[NH+]2CCCC2)c(C#N)c(C)n1 ZINC000157431988 525026909 /nfs/dbraw/zinc/02/69/09/525026909.db2.gz YUWVMGFYYXYJPJ-UHFFFAOYSA-N 1 0 258.369 2.102 10 30 CEEERO C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000050568525 525637046 /nfs/dbraw/zinc/63/70/46/525637046.db2.gz WWRDVXWZVJPQEI-QWHCGFSZSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2)[C@H]1C ZINC000050568510 526266602 /nfs/dbraw/zinc/26/66/02/526266602.db2.gz IESRZRZBRVTRRB-KBPBESRZSA-N 1 0 270.376 2.257 10 30 CEEERO N#CCc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000061611760 526484848 /nfs/dbraw/zinc/48/48/48/526484848.db2.gz DPCFKMOUPHFFMN-MRXNPFEDSA-N 1 0 279.343 2.434 10 30 CEEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000054826202 526513176 /nfs/dbraw/zinc/51/31/76/526513176.db2.gz ZPSFOIPCWSDBLZ-OCCSQVGLSA-N 1 0 259.309 2.419 10 30 CEEERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404192858 526715598 /nfs/dbraw/zinc/71/55/98/526715598.db2.gz FKUIIJKHNZWNAO-CYBMUJFWSA-N 1 0 250.317 2.194 10 30 CEEERO N#Cc1cccc(NC(=O)N[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000063212666 526720176 /nfs/dbraw/zinc/72/01/76/526720176.db2.gz OHNRNPROYPXQAJ-KGLIPLIRSA-N 1 0 272.352 2.340 10 30 CEEERO N#Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000061610839 526720426 /nfs/dbraw/zinc/72/04/26/526720426.db2.gz DDRYLUMZFUZRMJ-HNNXBMFYSA-N 1 0 265.316 2.239 10 30 CEEERO Cc1occc1C(=O)N[C@@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586757 526810219 /nfs/dbraw/zinc/81/02/19/526810219.db2.gz FLZCMAALVBBGNJ-LBPRGKRZSA-N 1 0 282.343 2.389 10 30 CEEERO [NH3+]CC#Cc1ccc(Cn2cc(Cl)cn2)c(F)c1 ZINC000049610225 527150079 /nfs/dbraw/zinc/15/00/79/527150079.db2.gz SRSPEBKRXPNDTD-UHFFFAOYSA-N 1 0 263.703 2.034 10 30 CEEERO [NH3+]CC#Cc1ccsc1Cn1ncc2ccccc21 ZINC000050527418 527154825 /nfs/dbraw/zinc/15/48/25/527154825.db2.gz JAQOTFQVDMMQDB-UHFFFAOYSA-N 1 0 267.357 2.456 10 30 CEEERO OCCC#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000049616765 527531575 /nfs/dbraw/zinc/53/15/75/527531575.db2.gz BOSFRONRUWQHTI-SFHVURJKSA-N 1 0 287.403 2.157 10 30 CEEERO O=C(CNC1=[NH+]CCC1)c1ccc(Br)cc1 ZINC000005177408 527671416 /nfs/dbraw/zinc/67/14/16/527671416.db2.gz IZCOVOWFJCMQNF-UHFFFAOYSA-N 1 0 281.153 2.414 10 30 CEEERO C[N@@H+]1CCc2cc3c(c4c2[C@@H]1CC41C=CC(=O)C=C1)OCO3 ZINC000000898722 560179240 /nfs/dbraw/zinc/17/92/40/560179240.db2.gz NMVDXQMYKKNYFO-ZDUSSCGKSA-N 1 0 295.338 2.281 10 30 biogenic,in-vitro CEEERO N#Cc1cc(Br)cnc1NC[C@H]1CCC[NH2+]C1 ZINC000261552714 628936304 /nfs/dbraw/zinc/93/63/04/628936304.db2.gz NHJFZHHHBWADEY-VIFPVBQESA-N 1 0 295.184 2.127 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@](C)(CC)C1 ZINC000261733066 629166763 /nfs/dbraw/zinc/16/67/63/629166763.db2.gz JSUCUAIBUBVYGM-DZKIICNBSA-N 1 0 281.444 2.235 10 30 CEEERO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)cc1Cl ZINC000262022064 629448552 /nfs/dbraw/zinc/44/85/52/629448552.db2.gz YFQQUWWLPBFDLE-OIBJUYFYSA-N 1 0 253.733 2.484 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000124897074 187160247 /nfs/dbraw/zinc/16/02/47/187160247.db2.gz DORXVVVAZZSTRX-LLVKDONJSA-N 1 0 262.313 2.396 10 30 CEEERO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC[C@@H]1[NH3+] ZINC000127872834 344332173 /nfs/dbraw/zinc/33/21/73/344332173.db2.gz MJEYUFNUOCPTNX-GWCFXTLKSA-N 1 0 274.324 2.030 10 30 CEEERO CC#CCOc1ccc(Br)c(C[NH3+])c1 ZINC000128023754 344333623 /nfs/dbraw/zinc/33/36/23/344333623.db2.gz ACBAAVLMFFZFIF-UHFFFAOYSA-N 1 0 254.127 2.310 10 30 CEEERO C=C[C@](C)(O)C[N@H+](CC)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000169677933 344481768 /nfs/dbraw/zinc/48/17/68/344481768.db2.gz ISKZIRCXSQBNNN-RDJZCZTQSA-N 1 0 288.391 2.439 10 30 CEEERO C#CC[C@@H](N)C(=O)c1cscc1Br ZINC000226829482 344551473 /nfs/dbraw/zinc/55/14/73/344551473.db2.gz DYUCGLLHQQPKNY-MRVPVSSYSA-N 1 0 258.140 2.044 10 30 CEEERO N#Cc1ccc(N2CCc3ccccc3[C@@H]2C[NH3+])cn1 ZINC000227724134 344556392 /nfs/dbraw/zinc/55/63/92/344556392.db2.gz DMTFLRKBVIPTNB-INIZCTEOSA-N 1 0 264.332 2.016 10 30 CEEERO C[C@H]([NH3+])C[C@H](C)Nc1ncc(Br)cc1C#N ZINC000320949438 344752824 /nfs/dbraw/zinc/75/28/24/344752824.db2.gz UNCROSXYYMHJER-YUMQZZPRSA-N 1 0 283.173 2.253 10 30 CEEERO CC(=O)O[C@]1(C#Cc2ccccc2)CC[N@@H+](C)C[C@@H]1C ZINC000584636802 344971208 /nfs/dbraw/zinc/97/12/08/344971208.db2.gz DYGLEMPSQGOBFF-WMLDXEAASA-N 1 0 271.360 2.312 10 30 CEEERO CN(CC(C)(C)[NH3+])c1cc(C#N)c2ccccc2n1 ZINC000594693630 345673322 /nfs/dbraw/zinc/67/33/22/345673322.db2.gz QSSLWRHPNQTWHO-UHFFFAOYSA-N 1 0 254.337 2.280 10 30 CEEERO C[NH2+]C[C@@H](C)Nc1cccc(Br)c1C#N ZINC000596033292 345926396 /nfs/dbraw/zinc/92/63/96/345926396.db2.gz SYJZENMEQYYYED-MRVPVSSYSA-N 1 0 268.158 2.341 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085373721 179043027 /nfs/dbraw/zinc/04/30/27/179043027.db2.gz GXIOAZXLTOYSBW-CHWSQXEVSA-N 1 0 257.337 2.323 10 30 CEEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000061892454 362696732 /nfs/dbraw/zinc/69/67/32/362696732.db2.gz DCEXZSUFMDOMPX-ZYHUDNBSSA-N 1 0 275.318 2.295 10 30 CEEERO N#Cc1ccc(N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000600958993 346718603 /nfs/dbraw/zinc/71/86/03/346718603.db2.gz OXSUBSOXULUOTE-LBPRGKRZSA-N 1 0 274.324 2.174 10 30 CEEERO C[C@H]1C[C@H]([NH3+])CN1c1ccc(C#N)cc1Br ZINC000600962918 346720580 /nfs/dbraw/zinc/72/05/80/346720580.db2.gz PDYRDWBXKGQYSN-WPRPVWTQSA-N 1 0 280.169 2.247 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2C#CC[NH3+])[C@@H]1C ZINC000086081140 179227324 /nfs/dbraw/zinc/22/73/24/179227324.db2.gz KWKLFJHTTHVLGF-XHBSWPGZSA-N 1 0 288.366 2.300 10 30 CEEERO C#CCCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@@H]1CC ZINC000086176217 179246453 /nfs/dbraw/zinc/24/64/53/179246453.db2.gz QPFYUSLFTHNQMA-SJORKVTESA-N 1 0 256.393 2.305 10 30 CEEERO Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000129745372 365892352 /nfs/dbraw/zinc/89/23/52/365892352.db2.gz SFMHJYGYFSHLFH-XJKSGUPXSA-N 1 0 285.391 2.325 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccccc1Br ZINC000086473621 179300784 /nfs/dbraw/zinc/30/07/84/179300784.db2.gz TZXLHUMIITZDQA-LLVKDONJSA-N 1 0 280.169 2.307 10 30 CEEERO C[N@@H+]1CCC[C@@H](Nc2ccc(OCC#N)cc2)CC1 ZINC000086817284 179344981 /nfs/dbraw/zinc/34/49/81/179344981.db2.gz IUGVHFWVTIBPMF-CYBMUJFWSA-N 1 0 259.353 2.485 10 30 CEEERO Cc1ccc(C#CC[NH3+])cc1C(=O)N[C@H](C)C(C)C ZINC000087747944 179480996 /nfs/dbraw/zinc/48/09/96/179480996.db2.gz UQHJIUYOHAOKHU-CYBMUJFWSA-N 1 0 258.365 2.080 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H](C[NH3+])C(C)C ZINC000087522017 179439499 /nfs/dbraw/zinc/43/94/99/179439499.db2.gz WBZNXDKBPHAVHP-NSHDSACASA-N 1 0 263.316 2.175 10 30 CEEERO COc1ccc([C@H]2[C@H]([NH3+])CCCN2C2CC2)cc1C#N ZINC000087823454 179493899 /nfs/dbraw/zinc/49/38/99/179493899.db2.gz GYMYNCJAXACTMQ-ZBFHGGJFSA-N 1 0 271.364 2.193 10 30 CEEERO N#Cc1cc2c(nc1N[C@H]1CCC[C@@H]1C[NH3+])CCCC2 ZINC000089106114 179701695 /nfs/dbraw/zinc/70/16/95/179701695.db2.gz VMMCMSMTHMUPJM-DOMZBBRYSA-N 1 0 270.380 2.371 10 30 CEEERO CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089111295 179705808 /nfs/dbraw/zinc/70/58/08/179705808.db2.gz ZZWYIXUGEGDTGM-TZMCWYRMSA-N 1 0 272.352 2.149 10 30 CEEERO COc1ccc(C#CC[NH3+])c(CO[C@H](C)C(F)(F)F)c1 ZINC000090673677 180021709 /nfs/dbraw/zinc/02/17/09/180021709.db2.gz IQORNTSKQXEEOL-SNVBAGLBSA-N 1 0 287.281 2.473 10 30 CEEERO [NH3+]CC#Cc1ccc(OC[C@H]2Cc3ccccc3O2)cc1 ZINC000090876382 180051816 /nfs/dbraw/zinc/05/18/16/180051816.db2.gz LOGVZFZFYLVHDT-QGZVFWFLSA-N 1 0 279.339 2.379 10 30 CEEERO C[NH2+]Cc1cn(CC2(CC#N)CC2)c2ncccc12 ZINC000091019466 180087895 /nfs/dbraw/zinc/08/78/95/180087895.db2.gz NKEHTXNDGKRPAR-UHFFFAOYSA-N 1 0 254.337 2.450 10 30 CEEERO N#CCC1(Cn2cc(CC[NH3+])c3cccnc32)CC1 ZINC000091021372 180088623 /nfs/dbraw/zinc/08/86/23/180088623.db2.gz YEFYVWSMGAUETJ-UHFFFAOYSA-N 1 0 254.337 2.231 10 30 CEEERO [NH2+]=C(NC[C@H]1CCCC[C@H]1CO)Nc1ccccc1 ZINC000091365671 180142568 /nfs/dbraw/zinc/14/25/68/180142568.db2.gz ILDYIZMALVQALM-OLZOCXBDSA-N 1 0 261.369 2.212 10 30 CEEERO CCCCN(C(=O)c1ccncc1C#CC[NH3+])[C@@H](C)CC ZINC000091462525 180162198 /nfs/dbraw/zinc/16/21/98/180162198.db2.gz DTDNZUIIPMNSIB-AWEZNQCLSA-N 1 0 287.407 2.433 10 30 CEEERO Cc1ncccc1NC(=O)c1sccc1C#CC[NH3+] ZINC000091497950 180173035 /nfs/dbraw/zinc/17/30/35/180173035.db2.gz VNIFXRXODRIWRV-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO CC#CC[C@H]([NH2+]CCC)[C@@](C)(CC)N1CCOCC1 ZINC000091613161 180208117 /nfs/dbraw/zinc/20/81/17/180208117.db2.gz ZVDMUDOSYYXFFK-JKSUJKDBSA-N 1 0 266.429 2.269 10 30 CEEERO N#Cc1cccc(-c2csc([C@@H]3C[NH2+]CCO3)n2)c1 ZINC000091501743 180175428 /nfs/dbraw/zinc/17/54/28/180175428.db2.gz POGZGCLYQFBBSC-ZDUSSCGKSA-N 1 0 271.345 2.343 10 30 CEEERO CN(Cc1csc(C#CC[NH3+])c1)C(=O)N1CCCCC1 ZINC000091969693 180294951 /nfs/dbraw/zinc/29/49/51/180294951.db2.gz ZMGBSODAPQJDSB-UHFFFAOYSA-N 1 0 291.420 2.096 10 30 CEEERO C[NH2+]C1CCC(Nc2c(C#N)nnc3ccccc32)CC1 ZINC000091873482 180277929 /nfs/dbraw/zinc/27/79/29/180277929.db2.gz OPPQUBFUJDMZDZ-UHFFFAOYSA-N 1 0 281.363 2.444 10 30 CEEERO Cc1ccc(OCC#Cc2ccccc2)c(C[NH3+])n1 ZINC000091994110 180301324 /nfs/dbraw/zinc/30/13/24/180301324.db2.gz QMABVTCNFHWXBX-UHFFFAOYSA-N 1 0 252.317 2.279 10 30 CEEERO Cc1ccc(OCc2cccnc2C#N)c(C[C@H](C)[NH3+])n1 ZINC000091999873 180303513 /nfs/dbraw/zinc/30/35/13/180303513.db2.gz CEWFZBOBPBNAEQ-NSHDSACASA-N 1 0 282.347 2.125 10 30 CEEERO Cc1cc(NC(=O)c2cccc(C#CC[NH3+])c2C)ccn1 ZINC000092365931 180369424 /nfs/dbraw/zinc/36/94/24/180369424.db2.gz FZHSNQQKOMRNCJ-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO C[C@H](C#N)N1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000109451776 186252773 /nfs/dbraw/zinc/25/27/73/186252773.db2.gz PGBMWDJYYOLHGU-CQSZACIVSA-N 1 0 280.375 2.264 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)s1 ZINC000110538847 186302339 /nfs/dbraw/zinc/30/23/39/186302339.db2.gz MQGNSGNFZSBNTG-UHFFFAOYSA-N 1 0 296.355 2.187 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](CC)CCOCC ZINC000111121547 186355419 /nfs/dbraw/zinc/35/54/19/186355419.db2.gz UIUZETBNPMZJRQ-HNNXBMFYSA-N 1 0 269.433 2.407 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCO)cc1F)CC1CCOCC1 ZINC000111168370 186363682 /nfs/dbraw/zinc/36/36/82/186363682.db2.gz QPZJXCJLVXUSGR-UHFFFAOYSA-N 1 0 291.366 2.028 10 30 CEEERO CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C#N)cn1 ZINC000111282720 186389437 /nfs/dbraw/zinc/38/94/37/186389437.db2.gz IESFRQQZYUKIPX-UHFFFAOYSA-N 1 0 280.331 2.315 10 30 CEEERO N#Cc1ccccc1OCCC[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000111386121 186412300 /nfs/dbraw/zinc/41/23/00/186412300.db2.gz YWZOQCJCYPKIHI-XYPWUTKMSA-N 1 0 286.375 2.315 10 30 CEEERO C[C@@H]1CN(Cc2ccc(C#N)cc2F)C[C@@H]1[NH+](C)C ZINC000124137914 187124027 /nfs/dbraw/zinc/12/40/27/187124027.db2.gz WUZUQGZEDNYSGC-ABAIWWIYSA-N 1 0 261.344 2.079 10 30 CEEERO C[C@@H]1COC[C@@H](C)[NH+]1CCCOc1cccc(C#N)c1 ZINC000156496041 188265950 /nfs/dbraw/zinc/26/59/50/188265950.db2.gz PICCZTTYUDBWJE-ZIAGYGMSSA-N 1 0 274.364 2.436 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000132430012 366143084 /nfs/dbraw/zinc/14/30/84/366143084.db2.gz SXPTYBHWNNWUNH-WCQYABFASA-N 1 0 270.380 2.006 10 30 CEEERO N#Cc1c(Br)cccc1N1CCC[NH2+]CC1 ZINC000164934111 283072450 /nfs/dbraw/zinc/07/24/50/283072450.db2.gz SDBQCDWASRNFFP-UHFFFAOYSA-N 1 0 280.169 2.120 10 30 CEEERO N#Cc1c(Br)cccc1N1CCC[C@@H](C[NH3+])C1 ZINC000169058948 283072287 /nfs/dbraw/zinc/07/22/87/283072287.db2.gz YYMSOTMXDJKJNP-JTQLQIEISA-N 1 0 294.196 2.496 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261579664 283094962 /nfs/dbraw/zinc/09/49/62/283094962.db2.gz POLAZZKVRVLWBK-GXFFZTMASA-N 1 0 261.756 2.400 10 30 CEEERO N#Cc1cc(F)ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000252839175 283099440 /nfs/dbraw/zinc/09/94/40/283099440.db2.gz ATDFGWSZTXBZPJ-LEWSCRJBSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1cc(F)c(NCC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000133683577 366246945 /nfs/dbraw/zinc/24/69/45/366246945.db2.gz SCYFELSKGRTYQN-SECBINFHSA-N 1 0 251.280 2.248 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1nccc(C)c1C#N ZINC000135084720 366394701 /nfs/dbraw/zinc/39/47/01/366394701.db2.gz RWLWWAAHARXVAW-CYBMUJFWSA-N 1 0 258.369 2.182 10 30 CEEERO C=CCSCCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000155031093 366803573 /nfs/dbraw/zinc/80/35/73/366803573.db2.gz QZNFSUCEJRAYNA-CQSZACIVSA-N 1 0 299.484 2.325 10 30 CEEERO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000156028650 366826189 /nfs/dbraw/zinc/82/61/89/366826189.db2.gz WBPVBMQYWHMVAN-CQSZACIVSA-N 1 0 263.385 2.011 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094593329 364281449 /nfs/dbraw/zinc/28/14/49/364281449.db2.gz XCQHTSDCUYRVJF-CQSZACIVSA-N 1 0 288.351 2.387 10 30 CEEERO N#CCc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000335293771 364679373 /nfs/dbraw/zinc/67/93/73/364679373.db2.gz OJCPRTCLAIDOMK-KRWDZBQOSA-N 1 0 269.392 2.423 10 30 CEEERO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335588125 212300489 /nfs/dbraw/zinc/30/04/89/212300489.db2.gz FRWSMIQKDPVGDC-GWCFXTLKSA-N 1 0 264.756 2.414 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccccc3C#N)C2)cn1 ZINC000116322442 365051679 /nfs/dbraw/zinc/05/16/79/365051679.db2.gz GAWMBDPKEJCXQY-OAHLLOKOSA-N 1 0 296.374 2.160 10 30 CEEERO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000120673773 365458969 /nfs/dbraw/zinc/45/89/69/365458969.db2.gz VYVYWIYXZMVQAH-CQSZACIVSA-N 1 0 296.374 2.290 10 30 CEEERO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C#N)c2C)C1 ZINC000178554366 368304579 /nfs/dbraw/zinc/30/45/79/368304579.db2.gz RPZWNDZIEGHRPY-AWEZNQCLSA-N 1 0 286.379 2.473 10 30 CEEERO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000246152099 370917363 /nfs/dbraw/zinc/91/73/63/370917363.db2.gz ZWHSHYDGMNVFJT-HIFRSBDPSA-N 1 0 262.397 2.450 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCSCC#N ZINC000246366423 370952061 /nfs/dbraw/zinc/95/20/61/370952061.db2.gz XZAAKZJSEPOYAM-KGLIPLIRSA-N 1 0 267.442 2.192 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000246394382 370956120 /nfs/dbraw/zinc/95/61/20/370956120.db2.gz BBJCIQFWUIKUQV-WFASDCNBSA-N 1 0 273.355 2.366 10 30 CEEERO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000235102178 370556599 /nfs/dbraw/zinc/55/65/99/370556599.db2.gz NHLSQVJQSGWPRT-NSHDSACASA-N 1 0 289.339 2.148 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cn2ccccc2c1C#N ZINC000247238155 371082170 /nfs/dbraw/zinc/08/21/70/371082170.db2.gz MYFVPKYKAAOQBS-ZBFHGGJFSA-N 1 0 294.402 2.479 10 30 CEEERO CC#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000248628183 371226281 /nfs/dbraw/zinc/22/62/81/371226281.db2.gz VPXVKPASYCTIFE-IHRRRGAJSA-N 1 0 278.396 2.245 10 30 CEEERO C[C@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1[NH3+] ZINC000253198864 371501275 /nfs/dbraw/zinc/50/12/75/371501275.db2.gz AZIXLVJSWSEGAZ-JOYOIKCWSA-N 1 0 294.196 2.494 10 30 CEEERO N#Cc1ccc(N[C@@H](CCC[NH3+])c2ccccc2)nc1 ZINC000336837246 213739519 /nfs/dbraw/zinc/73/95/19/213739519.db2.gz LSPSPRDDPNZCLA-HNNXBMFYSA-N 1 0 266.348 2.267 10 30 CEEERO N#Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)nc2ccccc12 ZINC000382461078 375186080 /nfs/dbraw/zinc/18/60/80/375186080.db2.gz WDOVROKVHOKJQQ-AAEUAGOBSA-N 1 0 266.348 2.068 10 30 CEEERO C[C@H]1CC[NH2+]C[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000389736218 375305498 /nfs/dbraw/zinc/30/54/98/375305498.db2.gz UZGQIBXBHWGECG-WCBMZHEXSA-N 1 0 284.285 2.382 10 30 CEEERO C[C@@H](C[NH2+]Cc1ccc(C#N)o1)N(C)C(=O)OC(C)(C)C ZINC000282959818 375625137 /nfs/dbraw/zinc/62/51/37/375625137.db2.gz YIGDXPYIALUFER-NSHDSACASA-N 1 0 293.367 2.496 10 30 CEEERO C[C@H](C[NH3+])CNc1cccc(Br)c1C#N ZINC000420222436 376629318 /nfs/dbraw/zinc/62/93/18/376629318.db2.gz WTIKUXHDDSKNTO-MRVPVSSYSA-N 1 0 268.158 2.327 10 30 CEEERO CCc1nnc(N[C@@H](C)CCCC[NH3+])c(C#N)c1CC ZINC000312498756 376718350 /nfs/dbraw/zinc/71/83/50/376718350.db2.gz LCTNRNYNXXRZBS-NSHDSACASA-N 1 0 275.400 2.402 10 30 CEEERO C=C(C)CN(CC)S(=O)(=O)Cc1cccc(C[NH2+]C)c1 ZINC000088929668 184614726 /nfs/dbraw/zinc/61/47/26/184614726.db2.gz YYPSRDBBKCKUCK-UHFFFAOYSA-N 1 0 296.436 2.134 10 30 CEEERO CC(C)[C@@H](C)CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000081109410 177771201 /nfs/dbraw/zinc/77/12/01/177771201.db2.gz DGJUTJARPXZKIP-ZDUSSCGKSA-N 1 0 258.365 2.019 10 30 CEEERO C[C@H]1CCC[C@@]([NH3+])(C(=O)N(CCC#N)Cc2ccco2)C1 ZINC000080923156 177730029 /nfs/dbraw/zinc/73/00/29/177730029.db2.gz ADPSYCSMAPRLIB-BBRMVZONSA-N 1 0 289.379 2.429 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccc(Cl)cc1)N1CCO[C@H](C#N)C1 ZINC000093930582 184744989 /nfs/dbraw/zinc/74/49/89/184744989.db2.gz KWWALQKDBKDGQD-ILXRZTDVSA-N 1 0 293.798 2.343 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1OCC1CC[NH2+]CC1 ZINC000094337679 184783428 /nfs/dbraw/zinc/78/34/28/184783428.db2.gz HIKZGRNULUOBGC-UHFFFAOYSA-N 1 0 285.269 2.350 10 30 CEEERO CC(C)[NH2+]CCOc1nc(C(F)(F)F)ccc1C#N ZINC000094337686 184783534 /nfs/dbraw/zinc/78/35/34/184783534.db2.gz HFWHBHALHXIGHG-UHFFFAOYSA-N 1 0 273.258 2.349 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000094751785 184853233 /nfs/dbraw/zinc/85/32/33/184853233.db2.gz QDQNALSDRBTHRS-CABCVRRESA-N 1 0 289.379 2.429 10 30 CEEERO COc1ncccc1COc1ccc(C)cc1C#CC[NH3+] ZINC000095009848 184914827 /nfs/dbraw/zinc/91/48/27/184914827.db2.gz GDPKASQETVJDBS-UHFFFAOYSA-N 1 0 282.343 2.288 10 30 CEEERO N#Cc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108372 394646852 /nfs/dbraw/zinc/64/68/52/394646852.db2.gz PNNUYNPPHFLZGO-RYUDHWBXSA-N 1 0 274.324 2.396 10 30 CEEERO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccs1 ZINC000182410501 395241166 /nfs/dbraw/zinc/24/11/66/395241166.db2.gz UXIGEFMQFKKSHY-LBPRGKRZSA-N 1 0 290.392 2.055 10 30 CEEERO N#C[C@@H](c1ccc(Cl)c(Cl)c1)N1CC[NH2+]CC1 ZINC000019275717 170769420 /nfs/dbraw/zinc/76/94/20/170769420.db2.gz YMGANXUNIFYICE-LBPRGKRZSA-N 1 0 270.163 2.463 10 30 CEEERO C=CCN(Cc1ccccc1Cl)C(=O)CC[NH3+] ZINC000032107729 171699089 /nfs/dbraw/zinc/69/90/89/171699089.db2.gz KEDCCNGWYOOXIA-UHFFFAOYSA-N 1 0 252.745 2.203 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000035179974 172033705 /nfs/dbraw/zinc/03/37/05/172033705.db2.gz YUMVENNITHPYPA-SWLSCSKDSA-N 1 0 258.365 2.344 10 30 CEEERO C#CC[NH+]1CCC(Nc2ccc3cn[nH]c3c2)CC1 ZINC000037317244 173117649 /nfs/dbraw/zinc/11/76/49/173117649.db2.gz FMCGLTSWCWSJQN-UHFFFAOYSA-N 1 0 254.337 2.072 10 30 CEEERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037508807 173242768 /nfs/dbraw/zinc/24/27/68/173242768.db2.gz IKGIUBGQIDHEDE-MJVIPROJSA-N 1 0 259.353 2.109 10 30 CEEERO C=C(Br)COc1c(CC[NH3+])cccc1OC ZINC000037721569 173639997 /nfs/dbraw/zinc/63/99/97/173639997.db2.gz GBUUJSCOUHWYMS-UHFFFAOYSA-N 1 0 286.169 2.484 10 30 CEEERO CSc1ccc([C@H](C#N)N2CCC[NH2+]CC2)cc1 ZINC000037940369 173879599 /nfs/dbraw/zinc/87/95/99/173879599.db2.gz GHVDERBMGPNLAQ-AWEZNQCLSA-N 1 0 261.394 2.268 10 30 CEEERO C=CCNc1ncnc(Nc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000040586300 174345820 /nfs/dbraw/zinc/34/58/20/174345820.db2.gz SBSWLSYYZLCQLU-UHFFFAOYSA-N 1 0 272.268 2.121 10 30 CEEERO C=CCC1(NC(=O)[C@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000662888063 414788656 /nfs/dbraw/zinc/78/86/56/414788656.db2.gz DFHSROAIYPFBAE-OLZOCXBDSA-N 1 0 250.386 2.380 10 30 CEEERO CCCCCCCC[NH2+][C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000043273765 174996673 /nfs/dbraw/zinc/99/66/73/174996673.db2.gz VTMYOAKBQRZPSW-CQSZACIVSA-O 1 0 273.441 2.486 10 30 CEEERO CCC[NH2+][C@H](c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000043301264 175002111 /nfs/dbraw/zinc/00/21/11/175002111.db2.gz JGIGOYUCUYZTKL-LSDHHAIUSA-N 1 0 292.404 2.034 10 30 CEEERO CCC[NH2+][C@H](c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000043301261 175002173 /nfs/dbraw/zinc/00/21/73/175002173.db2.gz JGIGOYUCUYZTKL-HUUCEWRRSA-N 1 0 292.404 2.034 10 30 CEEERO N#CCc1ccc(O[C@H](C[NH3+])c2ccccn2)cc1 ZINC000043341883 175015110 /nfs/dbraw/zinc/01/51/10/175015110.db2.gz BNZFIPVODPQBJB-OAHLLOKOSA-N 1 0 253.305 2.226 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CCC#N)C(C)C ZINC000043348351 175018888 /nfs/dbraw/zinc/01/88/88/175018888.db2.gz NNCXYJAJGNLSDI-GJZGRUSLSA-N 1 0 260.385 2.484 10 30 CEEERO CC(C)c1nccn1Cc1cc(C#CC[NH3+])cs1 ZINC000043689186 175096176 /nfs/dbraw/zinc/09/61/76/175096176.db2.gz PSFMPONUWMIABC-UHFFFAOYSA-N 1 0 259.378 2.427 10 30 CEEERO CCC(CC)[N@H+](CCO)Cc1cc(C#CCO)cs1 ZINC000043698706 175097056 /nfs/dbraw/zinc/09/70/56/175097056.db2.gz GAPOBWQGIGBXOV-UHFFFAOYSA-N 1 0 281.421 2.075 10 30 CEEERO C[N@@H+]1CC[C@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000044386114 175170208 /nfs/dbraw/zinc/17/02/08/175170208.db2.gz XORBVJGUDFIZHP-LBPRGKRZSA-N 1 0 252.321 2.222 10 30 CEEERO C[NH+](C)CC(C)(C)CNC(=O)[C@H](C#N)Cc1ccccc1 ZINC000044809430 175257649 /nfs/dbraw/zinc/25/76/49/175257649.db2.gz PCEXUSBDZZFINC-HNNXBMFYSA-N 1 0 287.407 2.073 10 30 CEEERO C=C(Br)CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000045135011 175312584 /nfs/dbraw/zinc/31/25/84/175312584.db2.gz KPTMQZOLUBBBDG-NSHDSACASA-N 1 0 261.207 2.215 10 30 CEEERO CC[N@H+](CC[C@@](C)(C#N)NC(C)C)[C@@H](C)COC ZINC000045181860 175324694 /nfs/dbraw/zinc/32/46/94/175324694.db2.gz SRDSHSISPSMSRS-KBPBESRZSA-N 1 0 255.406 2.014 10 30 CEEERO CCC(CC)[N@H+](CCOC)CC[C@@](C)(C#N)NC ZINC000045183095 175325802 /nfs/dbraw/zinc/32/58/02/175325802.db2.gz ANICBPIOXJSTJE-AWEZNQCLSA-N 1 0 255.406 2.015 10 30 CEEERO CCC[NH+]1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045306446 175355571 /nfs/dbraw/zinc/35/55/71/175355571.db2.gz XQGORJLFEKYHLH-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CC[NH+](CCC)CC1 ZINC000045306442 175356027 /nfs/dbraw/zinc/35/60/27/175356027.db2.gz ZXKHHALLIXBASZ-INIZCTEOSA-N 1 0 280.460 2.076 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CCC([NH+](C)C)CC1 ZINC000045311113 175356382 /nfs/dbraw/zinc/35/63/82/175356382.db2.gz KWTUMGFBKXDRQO-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCCN[C@](C)(C#N)CCC[NH+]1CCC(OC)CC1 ZINC000045310299 175356707 /nfs/dbraw/zinc/35/67/07/175356707.db2.gz ZTXFPRNXJOJOHG-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO C[NH2+]C[C@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000071147966 176044097 /nfs/dbraw/zinc/04/40/97/176044097.db2.gz MCVJLAPGFXUKDP-GFCCVEGCSA-N 1 0 266.348 2.152 10 30 CEEERO C[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000071210977 176083260 /nfs/dbraw/zinc/08/32/60/176083260.db2.gz MISVUULBZLXWKY-ABAIWWIYSA-N 1 0 274.339 2.054 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000071264394 176098036 /nfs/dbraw/zinc/09/80/36/176098036.db2.gz VSRXMQVFXFXVOE-NHYWBVRUSA-N 1 0 261.344 2.399 10 30 CEEERO C[N@H+](CCNC(=O)[C@H](C#N)c1ccccc1)C1CCCC1 ZINC000071379136 176143758 /nfs/dbraw/zinc/14/37/58/176143758.db2.gz ZUHOFHYGSVMJRN-MRXNPFEDSA-N 1 0 285.391 2.284 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000071412106 176157477 /nfs/dbraw/zinc/15/74/77/176157477.db2.gz WGOQVMJLOKOIGT-DZGCQCFKSA-N 1 0 290.407 2.344 10 30 CEEERO C=CCN(CC=C)C(=O)CCCC[n+]1ccccc1 ZINC000075304545 176686013 /nfs/dbraw/zinc/68/60/13/176686013.db2.gz BNZKFDIEUASREA-UHFFFAOYSA-N 1 0 259.373 2.345 10 30 CEEERO C=CCNC(=O)[C@H](CC[NH3+])c1cccc(Cl)c1 ZINC000076656949 177045861 /nfs/dbraw/zinc/04/58/61/177045861.db2.gz XEIBINBYOHMLPN-GFCCVEGCSA-N 1 0 252.745 2.075 10 30 CEEERO CC(C)[C@@H](CC[NH3+])CCC(=O)N(CCC#N)C1CC1 ZINC000079277322 177461592 /nfs/dbraw/zinc/46/15/92/177461592.db2.gz OBSKOLBHNBCWJG-CYBMUJFWSA-N 1 0 265.401 2.292 10 30 CEEERO C#CCCn1c(C[NH2+]CCOC)cc2ccccc21 ZINC000080060691 177603705 /nfs/dbraw/zinc/60/37/05/177603705.db2.gz HAWBTOPHCRWVKK-UHFFFAOYSA-N 1 0 256.349 2.401 10 30 CEEERO COc1ccc(OCC[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000347705416 226240076 /nfs/dbraw/zinc/24/00/76/226240076.db2.gz KAQYKBPISQAOHK-WFASDCNBSA-N 1 0 260.337 2.356 10 30 CEEERO COc1ccc(OCC[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000347705413 226240219 /nfs/dbraw/zinc/24/02/19/226240219.db2.gz KAQYKBPISQAOHK-DOMZBBRYSA-N 1 0 260.337 2.356 10 30 CEEERO O=C(C[C@H]1CCCCNC1=O)NCC[NH+]1CCSCC1 ZINC000329270947 227397694 /nfs/dbraw/zinc/39/76/94/227397694.db2.gz HTUVDDXYQFUGLJ-GFCCVEGCSA-N 1 0 299.440 2.138 10 30 CEEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000335655943 274307116 /nfs/dbraw/zinc/30/71/16/274307116.db2.gz DMIFKJMMSLHZOU-PELKAZGASA-N 1 0 251.280 2.246 10 30 CEEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CC[NH2+]1 ZINC000052783379 274362875 /nfs/dbraw/zinc/36/28/75/274362875.db2.gz RCJGRDLUAPGJAC-SECBINFHSA-N 1 0 269.270 2.375 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000229608208 274630864 /nfs/dbraw/zinc/63/08/64/274630864.db2.gz VJGOYDGHIOJELT-KOLCDFICSA-N 1 0 260.297 2.019 10 30 CEEERO CC(C)[C@H]([NH3+])C(=O)N1CCC2(C1)CCC(CS)CC2 ZINC000095087951 280272295 /nfs/dbraw/zinc/27/22/95/280272295.db2.gz NQUWPZFKXRAACE-OWYJLGKBSA-N 1 0 284.469 2.308 10 30 CEEERO Cc1nc(N2CCC[C@H](C)[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261658539 281926660 /nfs/dbraw/zinc/92/66/60/281926660.db2.gz YVRSBZVSUKKZSO-TVQRCGJNSA-N 1 0 278.787 2.479 10 30 CEEERO CN(C)C1(C#N)CCN(C(=O)N2CCc3ccccc32)CC1 ZINC000274775478 328213411 /nfs/dbraw/zinc/21/34/11/328213411.db2.gz TZDYQBUQDHTJPE-UHFFFAOYSA-N 1 0 298.390 2.089 10 30 CEEERO C=CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000339154745 327008388 /nfs/dbraw/zinc/00/83/88/327008388.db2.gz LTOVRVOPMZWATE-RBSFLKMASA-N 1 0 253.386 2.205 10 30 CEEERO C=CCSCCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000174421522 329158959 /nfs/dbraw/zinc/15/89/59/329158959.db2.gz VRNLQVFMYRHYLN-ZIAGYGMSSA-N 1 0 297.468 2.174 10 30 CEEERO C=CCC[C@@H]([NH2+][C@@H]1CCc2nc(CC)nn2C1)C1CC1 ZINC000180618415 329221228 /nfs/dbraw/zinc/22/12/28/329221228.db2.gz AVANCJCWGYRAIG-ZIAGYGMSSA-N 1 0 274.412 2.490 10 30 CEEERO C=CCC[C@@H]([NH2+][C@H]1CCc2nc(CC)nn2C1)C1CC1 ZINC000180618429 329221374 /nfs/dbraw/zinc/22/13/74/329221374.db2.gz AVANCJCWGYRAIG-UONOGXRCSA-N 1 0 274.412 2.490 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@H]1C)N1CCN(c2cccs2)CC1 ZINC000261935783 329989748 /nfs/dbraw/zinc/98/97/48/329989748.db2.gz CJQYQTNUNOTIAY-CHWSQXEVSA-N 1 0 292.452 2.244 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])N(C)C1CC1 ZINC000262281975 330003638 /nfs/dbraw/zinc/00/36/38/330003638.db2.gz VUAXUMGSJSMIHO-GDBMZVCRSA-N 1 0 273.380 2.134 10 30 CEEERO C=CCNC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262344340 330007271 /nfs/dbraw/zinc/00/72/71/330007271.db2.gz DIVJHZRDVYLPTH-KCJUWKMLSA-N 1 0 267.735 2.425 10 30 CEEERO CC1CCN(C(=[NH2+])N[C@H]2COc3ccc(F)cc32)CC1 ZINC000262399346 330008039 /nfs/dbraw/zinc/00/80/39/330008039.db2.gz NKMJILIGSQDZSK-ZDUSSCGKSA-N 1 0 277.343 2.306 10 30 CEEERO CC1CCN(C(=[NH2+])N[C@@H]2COc3ccc(F)cc32)CC1 ZINC000262399344 330008155 /nfs/dbraw/zinc/00/81/55/330008155.db2.gz NKMJILIGSQDZSK-CYBMUJFWSA-N 1 0 277.343 2.306 10 30 CEEERO CCO[C@@H]1C[C@H](NC(N[C@@H]2C[C@H]2C)=[NH+]C)C12CCCC2 ZINC000262372917 330011263 /nfs/dbraw/zinc/01/12/63/330011263.db2.gz IXPVVKZEGBJYQC-YIYPIFLZSA-N 1 0 279.428 2.298 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])NCc2ccc3cc[nH]c3n2)C1 ZINC000262383932 330012059 /nfs/dbraw/zinc/01/20/59/330012059.db2.gz PIVCMIUPNXUTIE-LLVKDONJSA-N 1 0 271.368 2.110 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000262439017 330013087 /nfs/dbraw/zinc/01/30/87/330013087.db2.gz UIOXASVIAAPRGY-FRRDWIJNSA-N 1 0 262.401 2.280 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@H](OCC)C12CCC2 ZINC000262452909 330014273 /nfs/dbraw/zinc/01/42/73/330014273.db2.gz WHXURSBCMZEMPA-DGAVXFQQSA-N 1 0 279.428 2.298 10 30 CEEERO CC1(C)C[C@H]1NC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000262460251 330014567 /nfs/dbraw/zinc/01/45/67/330014567.db2.gz FRWGOEQIQIMLRH-WCQYABFASA-N 1 0 259.353 2.213 10 30 CEEERO CC[C@H](C)NC(NC[C@H](O)c1ccc(Cl)s1)=[NH+]C ZINC000262787444 330031546 /nfs/dbraw/zinc/03/15/46/330031546.db2.gz MUHJBRAVNVKSIQ-IUCAKERBSA-N 1 0 289.832 2.398 10 30 CEEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@H](C)C(C)C ZINC000262824474 330034104 /nfs/dbraw/zinc/03/41/04/330034104.db2.gz XVEMJMSAHNZWER-OCCSQVGLSA-N 1 0 255.406 2.013 10 30 CEEERO CCOCCN1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1C ZINC000245409348 334190561 /nfs/dbraw/zinc/19/05/61/334190561.db2.gz LUGVHKPNSDPDDC-OAHLLOKOSA-N 1 0 281.444 2.359 10 30 CEEERO CC(C)CN(CC[NH+](C)C)C[C@@](C#N)(NC(C)C)C1CC1 ZINC000069079218 519716174 /nfs/dbraw/zinc/71/61/74/519716174.db2.gz SPXUTEGPKCECTM-QGZVFWFLSA-N 1 0 294.487 2.176 10 30 CEEERO CC(C)[NH2+]CCCOc1nc2c(cc1C#N)CCC2 ZINC000051872382 519720401 /nfs/dbraw/zinc/72/04/01/519720401.db2.gz OHJQELLIPSUMMH-UHFFFAOYSA-N 1 0 259.353 2.209 10 30 CEEERO CC(C)N[C@@](C#N)(CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069080468 519735118 /nfs/dbraw/zinc/73/51/18/519735118.db2.gz DTELOBNTIHQAOU-KRWDZBQOSA-N 1 0 292.471 2.073 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615179 520103686 /nfs/dbraw/zinc/10/36/86/520103686.db2.gz LJMPCZAWTGUISL-OAGGEKHMSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)CCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070194 520225523 /nfs/dbraw/zinc/22/55/23/520225523.db2.gz PHGZXBJOEQGIPC-SJORKVTESA-N 1 0 294.487 2.465 10 30 CEEERO C#CCNC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]CCC ZINC000062747364 518275746 /nfs/dbraw/zinc/27/57/46/518275746.db2.gz GBBJVMMIGDPQDK-LBPRGKRZSA-N 1 0 292.354 2.015 10 30 CEEERO C#CCNC(=O)[C@@H](C)Oc1ccccc1C[NH2+]C(C)(C)C ZINC000062729305 518281787 /nfs/dbraw/zinc/28/17/87/518281787.db2.gz MKTWUXXPWSJWGH-CYBMUJFWSA-N 1 0 288.391 2.091 10 30 CEEERO C#CCOc1ccc(C[NH2+]CCCOCC)cc1OC ZINC000045945710 518325864 /nfs/dbraw/zinc/32/58/64/518325864.db2.gz GLRRPMLYQNYIQN-UHFFFAOYSA-N 1 0 277.364 2.223 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000183660802 518595963 /nfs/dbraw/zinc/59/59/63/518595963.db2.gz FKIJLHFRXRWDGN-HOCLYGCPSA-N 1 0 290.407 2.123 10 30 CEEERO CC(C)(C)SCC(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586447 518906234 /nfs/dbraw/zinc/90/62/34/518906234.db2.gz QIQKQLRJKULTHH-UHFFFAOYSA-N 1 0 290.432 2.145 10 30 CEEERO C=C[C@@H](C)Oc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731966 519294329 /nfs/dbraw/zinc/29/43/29/519294329.db2.gz RUHXJFKRBLQERN-GFCCVEGCSA-N 1 0 265.353 2.385 10 30 CEEERO CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C#N)c1ccccc1 ZINC000061615253 519716232 /nfs/dbraw/zinc/71/62/32/519716232.db2.gz ITXKEFFKUUEPSK-MRXNPFEDSA-N 1 0 287.407 2.340 10 30 CEEERO CC(C)C[NH+]1CCN(C(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615577 519724965 /nfs/dbraw/zinc/72/49/65/519724965.db2.gz UBXKKVBWUFPVEC-MRXNPFEDSA-N 1 0 285.391 2.094 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613202 519739255 /nfs/dbraw/zinc/73/92/55/519739255.db2.gz UFSAITGYUNGBES-WBVHZDCISA-N 1 0 294.487 2.461 10 30 CEEERO CCCN[C@@](C#N)(CN(CC[NH+](C)C)CC(C)C)C1CC1 ZINC000069079247 520028948 /nfs/dbraw/zinc/02/89/48/520028948.db2.gz FUKKMKWCDRAAGD-KRWDZBQOSA-N 1 0 294.487 2.178 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000068615089 520034432 /nfs/dbraw/zinc/03/44/32/520034432.db2.gz BJQKNWQXKGKTLR-DLBZAZTESA-N 1 0 294.487 2.320 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000068614995 520034625 /nfs/dbraw/zinc/03/46/25/520034625.db2.gz GATUIHQXWVJPFO-YESZJQIVSA-N 1 0 294.487 2.463 10 30 CEEERO CCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000068611947 520129882 /nfs/dbraw/zinc/12/98/82/520129882.db2.gz BFIOWRIEMPWZNG-GOEBONIOSA-N 1 0 274.412 2.226 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615905 520225087 /nfs/dbraw/zinc/22/50/87/520225087.db2.gz BQQPSKIMBLOTIQ-PMPSAXMXSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612933 520225376 /nfs/dbraw/zinc/22/53/76/520225376.db2.gz QEIJOGRRZNNTIH-ZBFHGGJFSA-N 1 0 280.460 2.073 10 30 CEEERO CCCCC[C@H](C)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629636 520307426 /nfs/dbraw/zinc/30/74/26/520307426.db2.gz BSZAAOYUUSTWAQ-ZDUSSCGKSA-N 1 0 273.380 2.090 10 30 CEEERO CCCC[N@H+](CCO)Cc1ccc(F)cc1C#CCCO ZINC000049614034 520523014 /nfs/dbraw/zinc/52/30/14/520523014.db2.gz DYCXZWVZSDLDJT-UHFFFAOYSA-N 1 0 293.382 2.154 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000160666348 521190993 /nfs/dbraw/zinc/19/09/93/521190993.db2.gz YONPLZLPLORUMM-LLVKDONJSA-N 1 0 269.352 2.431 10 30 CEEERO CC[N@@H+](Cc1ccc(C#CCO)cc1)C[C@H]1CCCO1 ZINC000049613773 521298894 /nfs/dbraw/zinc/29/88/94/521298894.db2.gz ZCNDPRFTEFMUNT-QGZVFWFLSA-N 1 0 273.376 2.031 10 30 CEEERO CC[N@H+](Cc1ccc(OC)c(C#CCO)c1)C(C)C ZINC000049617445 521323370 /nfs/dbraw/zinc/32/33/70/521323370.db2.gz LFBDSWMWRYUHLE-UHFFFAOYSA-N 1 0 261.365 2.269 10 30 CEEERO CC[N@@H+](Cc1ccccc1C#CCO)C[C@@H]1CCCO1 ZINC000049613769 521376669 /nfs/dbraw/zinc/37/66/69/521376669.db2.gz MKPNSJZMNVSJJL-KRWDZBQOSA-N 1 0 273.376 2.031 10 30 CEEERO CCC(CC)[N@H+](CCOC)CC[C@H](C#N)NC(C)C ZINC000062437723 521558507 /nfs/dbraw/zinc/55/85/07/521558507.db2.gz VIHYEIZYKMXCSO-CQSZACIVSA-N 1 0 269.433 2.404 10 30 CEEERO CCC[N@H+](CC)CCOc1cccc(C#CCO)c1 ZINC000049617321 521611359 /nfs/dbraw/zinc/61/13/59/521611359.db2.gz ZEZQROMVTCHXJD-UHFFFAOYSA-N 1 0 261.365 2.141 10 30 CEEERO CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000061644199 521838579 /nfs/dbraw/zinc/83/85/79/521838579.db2.gz UIISKMFEBOEBQI-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1 ZINC000054628394 521956255 /nfs/dbraw/zinc/95/62/55/521956255.db2.gz LPJMKRKSYLLYSC-MQVJKMGUSA-N 1 0 255.365 2.273 10 30 CEEERO COc1cc(C[NH2+]C(C)(C)C)cc(OC)c1OCC#N ZINC000062732823 522440599 /nfs/dbraw/zinc/44/05/99/522440599.db2.gz OFEBNNPKWYFISH-UHFFFAOYSA-N 1 0 278.352 2.494 10 30 CEEERO CN(C[C@@H]1CC[N@H+](C)C1)c1cc(C#N)c2ccccc2n1 ZINC000068796404 523069850 /nfs/dbraw/zinc/06/98/50/523069850.db2.gz SZLDESDXLCAWHQ-CYBMUJFWSA-N 1 0 280.375 2.494 10 30 CEEERO CN(Cc1ccc(F)cc1C#CC[NH3+])CC(F)(F)F ZINC000049609406 523253173 /nfs/dbraw/zinc/25/31/73/523253173.db2.gz LEFRYCMMEKVAJR-UHFFFAOYSA-N 1 0 274.261 2.130 10 30 CEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049614708 523507788 /nfs/dbraw/zinc/50/77/88/523507788.db2.gz ZXCCEKGUVQBQRB-WMLDXEAASA-N 1 0 273.376 2.030 10 30 CEEERO COc1ccc(CC[NH3+])cc1OCc1cccnc1C#N ZINC000061659832 523942612 /nfs/dbraw/zinc/94/26/12/523942612.db2.gz HRYBKYFAZZYBOJ-UHFFFAOYSA-N 1 0 283.331 2.042 10 30 CEEERO COc1ccc(C[N@H+](C)Cc2ccco2)cc1C#CCO ZINC000049618206 524007115 /nfs/dbraw/zinc/00/71/15/524007115.db2.gz VFVKFLQLKPEKSV-UHFFFAOYSA-N 1 0 285.343 2.264 10 30 CEEERO COc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1C#CCO ZINC000049615240 524028341 /nfs/dbraw/zinc/02/83/41/524028341.db2.gz STGPKOIYYDELAV-ZDUSSCGKSA-N 1 0 259.349 2.023 10 30 CEEERO COc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1C#CCCO ZINC000049613595 524038103 /nfs/dbraw/zinc/03/81/03/524038103.db2.gz FALOFCRDPIYARI-AWEZNQCLSA-N 1 0 273.376 2.271 10 30 CEEERO C[C@@H]1CCCC[N@@H+]1CCCNCc1cccnc1C#N ZINC000061656988 524109137 /nfs/dbraw/zinc/10/91/37/524109137.db2.gz RNVOEPYKFMTMQU-CQSZACIVSA-N 1 0 272.396 2.307 10 30 CEEERO Cc1cc(C(=O)Nc2ncc(C#CC[NH3+])s2)ccc1F ZINC000063058495 524186878 /nfs/dbraw/zinc/18/68/78/524186878.db2.gz HRXLFPLUTBZBAL-UHFFFAOYSA-N 1 0 289.335 2.153 10 30 CEEERO Cc1cc(C)c(C#N)c(NCCC[NH+]2CCCC2)n1 ZINC000058340844 524216493 /nfs/dbraw/zinc/21/64/93/524216493.db2.gz QYYNISOJHHCWTQ-UHFFFAOYSA-N 1 0 258.369 2.468 10 30 CEEERO COc1ccc(Cn2nc(C)c(C)c2C)cc1C#CC[NH3+] ZINC000049610243 524265147 /nfs/dbraw/zinc/26/51/47/524265147.db2.gz GZSQCMLXHOJPAP-UHFFFAOYSA-N 1 0 283.375 2.175 10 30 CEEERO C[C@H](Cc1ccsc1)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000049189260 524762109 /nfs/dbraw/zinc/76/21/09/524762109.db2.gz JEXRTVUPSIKNNT-CYBMUJFWSA-N 1 0 298.411 2.419 10 30 CEEERO C[C@H](NC(=O)Cc1cccs1)c1ccc(C#CC[NH3+])cc1 ZINC000049586781 524989614 /nfs/dbraw/zinc/98/96/14/524989614.db2.gz YHXYRZFKTOLFSR-ZDUSSCGKSA-N 1 0 298.411 2.478 10 30 CEEERO C[C@H](NC(=O)c1ccccc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586720 525236037 /nfs/dbraw/zinc/23/60/37/525236037.db2.gz UWYKZMNWQHWXMX-AWEZNQCLSA-N 1 0 278.355 2.488 10 30 CEEERO Cc1ccc(NC(=O)c2cncc(C#CC[NH3+])c2)c(F)c1 ZINC000049629515 525253968 /nfs/dbraw/zinc/25/39/68/525253968.db2.gz MSSUGDJKOLSTAN-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[C@H](NC(=O)c1ccoc1)c1cccc(C#CC[NH3+])c1 ZINC000049587204 525256205 /nfs/dbraw/zinc/25/62/05/525256205.db2.gz XCMZZJBTAWKFCR-LBPRGKRZSA-N 1 0 268.316 2.081 10 30 CEEERO C[C@H](NC(=O)c1cncc(C#CC[NH3+])c1)C1CCCCC1 ZINC000052344713 525262923 /nfs/dbraw/zinc/26/29/23/525262923.db2.gz PJPOGLFXSKDOAL-ZDUSSCGKSA-N 1 0 285.391 2.090 10 30 CEEERO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc(C#CCO)c2)C1 ZINC000049616619 525383968 /nfs/dbraw/zinc/38/39/68/525383968.db2.gz GQDVNUIEQMRTBV-IYBDPMFKSA-N 1 0 287.403 2.387 10 30 CEEERO Cc1cc(SCc2ccc(F)cc2C#CC[NH3+])n(C)n1 ZINC000052311598 525437515 /nfs/dbraw/zinc/43/75/15/525437515.db2.gz FGYJTTQMNRGANI-UHFFFAOYSA-N 1 0 289.379 2.470 10 30 CEEERO C[C@@]([NH3+])(C(=O)Nc1sccc1C#N)c1ccccc1 ZINC000052882718 525748368 /nfs/dbraw/zinc/74/83/68/525748368.db2.gz AVWLRKKWQFCVDQ-AWEZNQCLSA-N 1 0 271.345 2.432 10 30 CEEERO Cc1ccoc1C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587202 525787203 /nfs/dbraw/zinc/78/72/03/525787203.db2.gz JNXNNHNJJFYXSA-CYBMUJFWSA-N 1 0 282.343 2.389 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)C[C@H]1CCC[NH2+]C1 ZINC000054307390 525795039 /nfs/dbraw/zinc/79/50/39/525795039.db2.gz OIODEQOAABHYCZ-LLVKDONJSA-N 1 0 275.327 2.334 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)C[NH2+]C1CCCC1 ZINC000050430454 525997209 /nfs/dbraw/zinc/99/72/09/525997209.db2.gz HJUVRJZQPTYOSJ-UHFFFAOYSA-N 1 0 257.337 2.337 10 30 CEEERO Cc1nn(Cc2ccnc(C#N)c2)c(C)c1C[NH2+]C(C)C ZINC000068758404 526298545 /nfs/dbraw/zinc/29/85/45/526298545.db2.gz LPBPSHWPHOPLQD-UHFFFAOYSA-N 1 0 283.379 2.313 10 30 CEEERO N#C[C@H](N)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062369522 526509227 /nfs/dbraw/zinc/50/92/27/526509227.db2.gz SBDNYXLMVHCWMI-MRXNPFEDSA-N 1 0 257.381 2.182 10 30 CEEERO N#C[C@H](c1csc2ccccc12)N1CC[NH2+]CC1 ZINC000054464652 526511097 /nfs/dbraw/zinc/51/10/97/526511097.db2.gz OPULFZQEFLIWMU-CYBMUJFWSA-N 1 0 257.362 2.371 10 30 CEEERO N#Cc1ccc(CNC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050945491 526618783 /nfs/dbraw/zinc/61/87/83/526618783.db2.gz VITNFVQJRFWXPW-HNNXBMFYSA-N 1 0 271.364 2.097 10 30 CEEERO N#Cc1nccnc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000061702229 526795370 /nfs/dbraw/zinc/79/53/70/526795370.db2.gz BPRQHHLJPHXZDF-CQSZACIVSA-N 1 0 280.331 2.002 10 30 CEEERO [NH3+]CC#Cc1ccc(COC[C@@H]2CCCCO2)cc1 ZINC000049610754 527150250 /nfs/dbraw/zinc/15/02/50/527150250.db2.gz STSRHHNVNLGEIB-INIZCTEOSA-N 1 0 259.349 2.083 10 30 CEEERO [NH3+]CC#Cc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000049586353 527154482 /nfs/dbraw/zinc/15/44/82/527154482.db2.gz XFSZRSAUGJIJCU-LXZKKBNFSA-N 1 0 282.387 2.049 10 30 CEEERO COc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C)cc1Cl ZINC000262022070 629448528 /nfs/dbraw/zinc/44/85/28/629448528.db2.gz YFQQUWWLPBFDLE-XVKPBYJWSA-N 1 0 253.733 2.484 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000126634993 650825111 /nfs/dbraw/zinc/82/51/11/650825111.db2.gz CWXLYSHYAPYUKF-JQWIXIFHSA-N 1 0 274.324 2.030 10 30 CEEERO Cc1cc(C(=O)C[N+]23CCN(CC2)CC3)c(Cl)cc1F ZINC000155260384 717154326 /nfs/dbraw/zinc/15/43/26/717154326.db2.gz VRGBXFDPQPNXGZ-UHFFFAOYSA-N 1 0 297.781 2.116 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1cccc(C#N)c1[N+](=O)[O-] ZINC000126664617 187253868 /nfs/dbraw/zinc/25/38/68/187253868.db2.gz MLXFMHNDRDLRKX-GFCCVEGCSA-N 1 0 276.340 2.276 10 30 CEEERO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000128046282 187348265 /nfs/dbraw/zinc/34/82/65/187348265.db2.gz WHMJTNIACLEYLW-HUUCEWRRSA-N 1 0 277.412 2.410 10 30 CEEERO C#CC[C@H]([NH3+])c1csc(I)c1 ZINC000168682378 344480968 /nfs/dbraw/zinc/48/09/68/344480968.db2.gz SEXSCYIGNVSFPR-ZETCQYMHSA-N 1 0 277.130 2.376 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(Br)cc1C#N ZINC000229255495 539416963 /nfs/dbraw/zinc/41/69/63/539416963.db2.gz VGBXAPKNDKVIEK-VHSXEESVSA-N 1 0 294.196 2.494 10 30 CEEERO C[NH+](C)CC/N=C/c1cccc(Br)c1O ZINC000584624390 344967942 /nfs/dbraw/zinc/96/79/42/344967942.db2.gz FDMABQIFRQOQDB-MDWZMJQESA-N 1 0 271.158 2.135 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000127329281 187297579 /nfs/dbraw/zinc/29/75/79/187297579.db2.gz SIOZXLNWHYBYDJ-OAHLLOKOSA-N 1 0 262.397 2.452 10 30 CEEERO C=CCNC(=O)[C@H](C)Sc1cccc([C@H](C)[NH3+])c1 ZINC000084122383 178797572 /nfs/dbraw/zinc/79/75/72/178797572.db2.gz HLROIDAZSAMUGC-QWRGUYRKSA-N 1 0 264.394 2.489 10 30 CEEERO C=CCNC(=O)CSc1cccc([C@H](C)[NH2+]C)c1 ZINC000084124804 178798740 /nfs/dbraw/zinc/79/87/40/178798740.db2.gz CLKRZWFVPMWFQK-NSHDSACASA-N 1 0 264.394 2.361 10 30 CEEERO N#Cc1ccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000594697160 345673627 /nfs/dbraw/zinc/67/36/27/345673627.db2.gz NANDHCXZHSQZBW-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO C[C@H]1CC[C@H](C[NH3+])CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592272 136513999 /nfs/dbraw/zinc/51/39/99/136513999.db2.gz BJDUTVSJXLAKKK-WDEREUQCSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]1C[C@H]([NH3+])CN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000094553353 136514093 /nfs/dbraw/zinc/51/40/93/136514093.db2.gz OSRVMOUGTNLZRR-FZMZJTMJSA-N 1 0 270.380 2.006 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085364270 179035203 /nfs/dbraw/zinc/03/52/03/179035203.db2.gz RWMRBRUHXZOWLI-WCQYABFASA-N 1 0 275.327 2.462 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085373720 179043003 /nfs/dbraw/zinc/04/30/03/179043003.db2.gz GXIOAZXLTOYSBW-STQMWFEESA-N 1 0 257.337 2.323 10 30 CEEERO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1cccc(C#N)c1 ZINC000085374675 179043229 /nfs/dbraw/zinc/04/32/29/179043229.db2.gz KIZLGXRZLQHOPM-KBPBESRZSA-N 1 0 257.337 2.039 10 30 CEEERO C[C@@H]1CC[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[NH2+]1 ZINC000600955844 346716948 /nfs/dbraw/zinc/71/69/48/346716948.db2.gz SEKNOZRHHIUDGC-SKDRFNHKSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)cc1Br ZINC000600957822 346718000 /nfs/dbraw/zinc/71/80/00/346718000.db2.gz UPPYSPYQJQVJGE-GZMMTYOYSA-N 1 0 280.169 2.483 10 30 CEEERO N#Cc1ncccc1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000600961147 346719484 /nfs/dbraw/zinc/71/94/84/346719484.db2.gz MWYFALYFXJGOGK-AWEZNQCLSA-N 1 0 266.348 2.325 10 30 CEEERO N#Cc1cccc(C(=O)Nc2ccccc2C[NH3+])c1 ZINC000085810444 179177412 /nfs/dbraw/zinc/17/74/12/179177412.db2.gz RPBUWRAYNFCKLX-UHFFFAOYSA-N 1 0 251.289 2.269 10 30 CEEERO C[C@@H](Nc1c(C#N)nnc2ccccc21)[C@@H]1CCC[NH2+]C1 ZINC000085920791 179200761 /nfs/dbraw/zinc/20/07/61/179200761.db2.gz SJIFCYNSZPDWSV-VXGBXAGGSA-N 1 0 281.363 2.301 10 30 CEEERO Cc1nc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccc1C#N ZINC000336836470 365906431 /nfs/dbraw/zinc/90/64/31/365906431.db2.gz KVRJHRNSJPERIC-WFASDCNBSA-N 1 0 270.380 2.325 10 30 CEEERO CC[C@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H](CC)C[NH2+]1 ZINC000086447502 179295652 /nfs/dbraw/zinc/29/56/52/179295652.db2.gz FGJLZMHHOGXZGT-GJZGRUSLSA-N 1 0 271.364 2.161 10 30 CEEERO N#Cc1nccnc1NCC[NH2+]C1CCCCCC1 ZINC000130132060 365926456 /nfs/dbraw/zinc/92/64/56/365926456.db2.gz LGYLSDLVVQPMQY-UHFFFAOYSA-N 1 0 259.357 2.073 10 30 CEEERO CCn1c(C[NH3+])nnc1SCCCC(C)(C)C#N ZINC000087599432 179452220 /nfs/dbraw/zinc/45/22/20/179452220.db2.gz MPPTVFXSAXIPPP-UHFFFAOYSA-N 1 0 267.402 2.179 10 30 CEEERO CC(C)[NH+]1CCC(CC=O)(NC(=O)OC(C)(C)C)CC1 ZINC000616569400 348523465 /nfs/dbraw/zinc/52/34/65/348523465.db2.gz TVQXTZFMDIMFFI-UHFFFAOYSA-N 1 0 284.400 2.343 10 30 CEEERO C=C(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@@H]([NH3+])C1 ZINC000616571161 348524110 /nfs/dbraw/zinc/52/41/10/348524110.db2.gz POMMKOQCJPUGBQ-KBPBESRZSA-N 1 0 262.328 2.045 10 30 CEEERO CN(C(=O)c1cccc(C#N)c1)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089131936 179713264 /nfs/dbraw/zinc/71/32/64/179713264.db2.gz OGTHQFFRDMNVKB-GJZGRUSLSA-N 1 0 271.364 2.148 10 30 CEEERO N#Cc1cc(NC[C@@H]([NH3+])C2CC2)nc2ccccc12 ZINC000129293778 187422156 /nfs/dbraw/zinc/42/21/56/187422156.db2.gz VHOJHFBJMYVKPU-CYBMUJFWSA-N 1 0 252.321 2.256 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NC[C@H]([NH3+])C1CC1 ZINC000129309431 187422512 /nfs/dbraw/zinc/42/25/12/187422512.db2.gz XTFUDTACLBUENU-VIFPVBQESA-N 1 0 270.258 2.121 10 30 CEEERO C=CCN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCC1 ZINC000089457248 179794537 /nfs/dbraw/zinc/79/45/37/179794537.db2.gz SWYYIUXMJNUGJJ-OCCSQVGLSA-N 1 0 250.386 2.319 10 30 CEEERO CC(C)C[C@@](C)(O)C[NH2+]Cc1cccc(OCC#N)c1 ZINC000090270473 179944118 /nfs/dbraw/zinc/94/41/18/179944118.db2.gz CEVOIKRJUAAOSY-MRXNPFEDSA-N 1 0 276.380 2.476 10 30 CEEERO C=CCNC(=O)CSc1cccc(C[NH2+]CC)c1 ZINC000090871179 180049259 /nfs/dbraw/zinc/04/92/59/180049259.db2.gz KFOVNQBQIFOULD-UHFFFAOYSA-N 1 0 264.394 2.190 10 30 CEEERO [NH3+]CC#Cc1ccccc1OC[C@H]1Cc2ccccc2O1 ZINC000090876380 180052002 /nfs/dbraw/zinc/05/20/02/180052002.db2.gz AVVREWXSPKHJFB-MRXNPFEDSA-N 1 0 279.339 2.379 10 30 CEEERO FC1(F)[C@H]2C[NH2+]C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000669371730 539753037 /nfs/dbraw/zinc/75/30/37/539753037.db2.gz VOIAYICARKFWSA-ZXZARUISSA-N 1 0 269.135 2.377 10 30 CEEERO C[C@H]([NH3+])Cc1ccn(Cc2cc(C#N)ccc2F)c1 ZINC000091005967 180084544 /nfs/dbraw/zinc/08/45/44/180084544.db2.gz QQWYEECGUAEBJW-NSHDSACASA-N 1 0 257.312 2.437 10 30 CEEERO COc1ccc(Cn2cccc2C[C@@H](C)[NH3+])cc1C#N ZINC000091005310 180084826 /nfs/dbraw/zinc/08/48/26/180084826.db2.gz SANNCSVTUXYQGR-GFCCVEGCSA-N 1 0 269.348 2.306 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCN1CCC[C@H]([NH+](C)C)C1 ZINC000091429457 180153209 /nfs/dbraw/zinc/15/32/09/180153209.db2.gz AOQVWDJECDGORE-HOTGVXAUSA-N 1 0 280.460 2.073 10 30 CEEERO C[C@@H]1CCCC[C@H]1N(C)C(=O)c1ccncc1C#CC[NH3+] ZINC000091462537 180162717 /nfs/dbraw/zinc/16/27/17/180162717.db2.gz ISVLTRJOMFUMSP-CZUORRHYSA-N 1 0 285.391 2.043 10 30 CEEERO C=CCCC[C@H]([NH2+]C)[C@@](C)(CC)N1CCOCC1 ZINC000091612732 180207278 /nfs/dbraw/zinc/20/72/78/180207278.db2.gz KXRDOSQHLVGMMV-LSDHHAIUSA-N 1 0 254.418 2.432 10 30 CEEERO CC(C)(C)C1CCC(C#N)([C@@]2(O)CC[NH2+]C2)CC1 ZINC000091879133 180279325 /nfs/dbraw/zinc/27/93/25/180279325.db2.gz NGPYDNIKQOUPTO-PESDSKBTSA-N 1 0 250.386 2.457 10 30 CEEERO CC(C)(C#N)N1CC[NH+](C[C@@H]2COc3ccccc32)CC1 ZINC000092301690 180359574 /nfs/dbraw/zinc/35/95/74/180359574.db2.gz SJYWONWTACEJNG-CQSZACIVSA-N 1 0 285.391 2.082 10 30 CEEERO CC[C@@H]1CN(Cc2ccc(C#N)cc2)CC[N@@H+]1CCOC ZINC000106116474 186102188 /nfs/dbraw/zinc/10/21/88/186102188.db2.gz WHPDXYAVWOXCOE-QGZVFWFLSA-N 1 0 287.407 2.101 10 30 CEEERO Cc1cc(NS(=O)(=O)Cc2ccc(C#N)cc2)cc[nH+]1 ZINC000092350077 180367944 /nfs/dbraw/zinc/36/79/44/180367944.db2.gz YUKCUDJRKKQGBH-UHFFFAOYSA-N 1 0 287.344 2.204 10 30 CEEERO C#CCn1c(N)c(CCSC)[nH+]c1C(C)(C)C ZINC000106839074 186138787 /nfs/dbraw/zinc/13/87/87/186138787.db2.gz JRGMYQNLSPQBNJ-UHFFFAOYSA-N 1 0 251.399 2.302 10 30 CEEERO N#Cc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107919072 186197799 /nfs/dbraw/zinc/19/77/99/186197799.db2.gz FURJXTSZULTOEO-PBWFPOADSA-N 1 0 260.312 2.185 10 30 CEEERO CC[C@H](C#N)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000109455172 186254104 /nfs/dbraw/zinc/25/41/04/186254104.db2.gz SQNMDMCZAUSZJQ-MRXNPFEDSA-N 1 0 257.381 2.415 10 30 CEEERO COc1ccc([C@@H](C#N)NCC[NH+](C)C)c(Cl)c1OC ZINC000110830027 186327522 /nfs/dbraw/zinc/32/75/22/186327522.db2.gz SGCBFGNCXNZWEJ-LLVKDONJSA-N 1 0 297.786 2.073 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)s1)CC1CCOCC1 ZINC000111168361 186363950 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N#Cc1ccc(F)cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160535090 367015570 /nfs/dbraw/zinc/01/55/70/367015570.db2.gz SZAQVPGWAPHESN-MRXNPFEDSA-N 1 0 273.355 2.367 10 30 CEEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCSCC#N ZINC000245500065 370829591 /nfs/dbraw/zinc/82/95/91/370829591.db2.gz ZJIGGQAVAGKZSY-MJBXVCDLSA-N 1 0 296.436 2.439 10 30 CEEERO N#Cc1ccc(C[N@H+]2CC[C@@H](CCO)C2)c(Cl)c1 ZINC000162939786 367206244 /nfs/dbraw/zinc/20/62/44/367206244.db2.gz PYUNFBQGUZGGMT-NSHDSACASA-N 1 0 264.756 2.416 10 30 CEEERO C=CCSCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000171614764 367579146 /nfs/dbraw/zinc/57/91/46/367579146.db2.gz ZHKMIKUZZSDZPC-HNNXBMFYSA-N 1 0 292.448 2.195 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C#N)cc1 ZINC000247076800 371061554 /nfs/dbraw/zinc/06/15/54/371061554.db2.gz YXQCCJKVEBRNBH-HOTGVXAUSA-N 1 0 283.375 2.257 10 30 CEEERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1[NH+](C)C ZINC000251638506 371410085 /nfs/dbraw/zinc/41/00/85/371410085.db2.gz FUAYPHMRJFCCJB-MWLCHTKSSA-N 1 0 298.312 2.358 10 30 CEEERO C[C@@H](CC[NH3+])Nc1ccc(Br)cc1C#N ZINC000336699784 213573375 /nfs/dbraw/zinc/57/33/75/213573375.db2.gz OXHCMGUNTNVYDD-QMMMGPOBSA-N 1 0 268.158 2.470 10 30 CEEERO Cc1nc(N2CC[C@@](C)(C[NH3+])C2)c(Cl)cc1C#N ZINC000261586798 371665364 /nfs/dbraw/zinc/66/53/64/371665364.db2.gz UPBWCAFZHAIOBE-ZDUSSCGKSA-N 1 0 264.760 2.090 10 30 CEEERO Cc1nc(N2CCC([C@H](C)[NH3+])CC2)c(Cl)cc1C#N ZINC000261611142 371677359 /nfs/dbraw/zinc/67/73/59/371677359.db2.gz SMGPQXXMLVTREH-VIFPVBQESA-N 1 0 278.787 2.479 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000106432621 285042097 /nfs/dbraw/zinc/04/20/97/285042097.db2.gz FWXHNWWNUSAALQ-GDBMZVCRSA-N 1 0 287.407 2.167 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080996130 177751166 /nfs/dbraw/zinc/75/11/66/177751166.db2.gz QKLPODOPGAHUCF-HNNXBMFYSA-N 1 0 271.364 2.049 10 30 CEEERO N#Cc1ccc(OCC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000080838003 177714008 /nfs/dbraw/zinc/71/40/08/177714008.db2.gz VTYAHBHBTNSYAD-UHFFFAOYSA-N 1 0 261.281 2.117 10 30 CEEERO CC[C@@H]1CC[C@H](C#N)[C@H](N2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000094460544 184805495 /nfs/dbraw/zinc/80/54/95/184805495.db2.gz GTCRDACCJRDNIL-KLHDSHLOSA-N 1 0 261.413 2.485 10 30 CEEERO N#Cc1ccccc1NC(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094749217 184852037 /nfs/dbraw/zinc/85/20/37/184852037.db2.gz AFPXJRHUCFRPQR-STQMWFEESA-N 1 0 257.337 2.404 10 30 CEEERO N#Cc1nccn1-c1ccc(C[NH2+]C2CC2)cc1F ZINC000094937562 184897145 /nfs/dbraw/zinc/89/71/45/184897145.db2.gz FMTNYIBQDAXMMC-UHFFFAOYSA-N 1 0 256.284 2.135 10 30 CEEERO CC1(C)C[NH2+]CCN1c1nc(C(F)(F)F)ccc1C#N ZINC000094337539 135086291 /nfs/dbraw/zinc/08/62/91/135086291.db2.gz VCLHBFCRXATOAD-UHFFFAOYSA-N 1 0 284.285 2.160 10 30 CEEERO C#CCCCCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000374515745 395083134 /nfs/dbraw/zinc/08/31/34/395083134.db2.gz WXYQXLMQRMDWJQ-GJZGRUSLSA-N 1 0 262.397 2.265 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)cc1 ZINC000398795572 395238283 /nfs/dbraw/zinc/23/82/83/395238283.db2.gz PIDNNEWRBSEMEI-ARFHVFGLSA-N 1 0 256.349 2.151 10 30 CEEERO Cc1nc(N[C@@H](CC[NH3+])C(F)F)c(Cl)cc1C#N ZINC000394771819 395210761 /nfs/dbraw/zinc/21/07/61/395210761.db2.gz GADPTCAPXVRPFT-VIFPVBQESA-N 1 0 274.702 2.310 10 30 CEEERO N#CC1(c2ccc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000181515688 395219387 /nfs/dbraw/zinc/21/93/87/395219387.db2.gz QSVZIMGAVXVTRN-MRXNPFEDSA-N 1 0 295.386 2.162 10 30 CEEERO N#Cc1c(Br)cccc1N[C@@H]1CCC[NH2+]C1 ZINC000165079335 162339991 /nfs/dbraw/zinc/33/99/91/162339991.db2.gz UCDQMGRDDBXHOH-SECBINFHSA-N 1 0 280.169 2.485 10 30 CEEERO CCc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)CC2 ZINC000181938420 165360394 /nfs/dbraw/zinc/36/03/94/165360394.db2.gz VRQGHPIZSGWMHJ-DOMZBBRYSA-N 1 0 295.390 2.378 10 30 CEEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000246394709 287131861 /nfs/dbraw/zinc/13/18/61/287131861.db2.gz JBTQQHXEGHDWOE-RVKKMQEKSA-N 1 0 299.418 2.272 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020312060 171144497 /nfs/dbraw/zinc/14/44/97/171144497.db2.gz XXSIJBWLCBIHEC-JTQLQIEISA-N 1 0 252.745 2.120 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000020317128 171147609 /nfs/dbraw/zinc/14/76/09/171147609.db2.gz VXOHSMZEEIFBNF-JTQLQIEISA-N 1 0 286.297 2.486 10 30 CEEERO N#C[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH2+]CC1 ZINC000037425019 173198995 /nfs/dbraw/zinc/19/89/95/173198995.db2.gz QYILYKMBFDKBEG-LBPRGKRZSA-N 1 0 270.163 2.463 10 30 CEEERO C#CCOc1ccc(Br)cc1C[NH2+]C ZINC000037487718 173229965 /nfs/dbraw/zinc/22/99/65/173229965.db2.gz UIBJTZBKUWJWRX-UHFFFAOYSA-N 1 0 254.127 2.181 10 30 CEEERO COc1cccc(C=NNC(N)=[NH2+])c1OCc1ccccc1 ZINC000038155184 174134497 /nfs/dbraw/zinc/13/44/97/174134497.db2.gz FUTHXZPXZNIIJM-GRSHGNNSSA-N 1 0 298.346 2.091 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000662857521 414777020 /nfs/dbraw/zinc/77/70/20/414777020.db2.gz NPUMYMBHYCIGCL-IYXRBSQSSA-N 1 0 250.386 2.319 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000042220693 174659398 /nfs/dbraw/zinc/65/93/98/174659398.db2.gz FQZYTJHNCHAGEM-QWRGUYRKSA-N 1 0 250.317 2.167 10 30 CEEERO CCN(CC(F)(F)F)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000042797817 174881815 /nfs/dbraw/zinc/88/18/15/174881815.db2.gz CYXPKNDDYWBMIJ-UHFFFAOYSA-N 1 0 284.281 2.021 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccncc1)N(CCC#N)C1CC1 ZINC000043354644 175022339 /nfs/dbraw/zinc/02/23/39/175022339.db2.gz WQFWDZZRGXJHDA-HUUCEWRRSA-N 1 0 258.369 2.238 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043355167 175022980 /nfs/dbraw/zinc/02/29/80/175022980.db2.gz ICEADWUNOZIHMB-MEDUHNTESA-N 1 0 283.331 2.429 10 30 CEEERO OCCC#Cc1csc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000043698629 175096744 /nfs/dbraw/zinc/09/67/44/175096744.db2.gz SKCZXIWLCALGSN-GXTWGEPZSA-N 1 0 261.390 2.466 10 30 CEEERO COCC[N@@H+](Cc1cc(C#CCO)cs1)CC(C)C ZINC000043698636 175096867 /nfs/dbraw/zinc/09/68/67/175096867.db2.gz UPRZYIUTWAVEFV-UHFFFAOYSA-N 1 0 281.421 2.196 10 30 CEEERO C[C@@H](C[NH+]1CCCC1)NC(=O)C1(C#N)CCCCCC1 ZINC000044766521 175249405 /nfs/dbraw/zinc/24/94/05/175249405.db2.gz DZJUANPANLLAIE-AWEZNQCLSA-N 1 0 277.412 2.451 10 30 CEEERO N#CC1(C(=O)NCC[NH+]2CCCCC2)CCCCCC1 ZINC000044766826 175249706 /nfs/dbraw/zinc/24/97/06/175249706.db2.gz VWQLHADNRFOVAU-UHFFFAOYSA-N 1 0 277.412 2.453 10 30 CEEERO CCC(C#N)(CC)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044766755 175249763 /nfs/dbraw/zinc/24/97/63/175249763.db2.gz WZKGPKUYFBKTRH-CYBMUJFWSA-N 1 0 267.417 2.409 10 30 CEEERO C[NH+](C)C(C)(C)CNC(=O)C1(C#N)CCCCCC1 ZINC000044767307 175250069 /nfs/dbraw/zinc/25/00/69/175250069.db2.gz QSMTWQRVHVEHKT-UHFFFAOYSA-N 1 0 265.401 2.307 10 30 CEEERO C[C@@](N)(C#N)CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000045313158 175357516 /nfs/dbraw/zinc/35/75/16/175357516.db2.gz RWWFWEOTBXFCTH-KRWDZBQOSA-N 1 0 292.471 2.348 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070574331 175989458 /nfs/dbraw/zinc/98/94/58/175989458.db2.gz BFSPTGFYUHQPHP-NXEZZACHSA-N 1 0 261.300 2.153 10 30 CEEERO CC(C)[NH2+][C@@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O ZINC000071041648 176028242 /nfs/dbraw/zinc/02/82/42/176028242.db2.gz XLXUFAVPFDUFJD-CQSZACIVSA-N 1 0 275.327 2.191 10 30 CEEERO CN(C[C@H]1CC[N@H+](C)C1)c1c(C#N)cnc2ccccc21 ZINC000071190201 176067122 /nfs/dbraw/zinc/06/71/22/176067122.db2.gz DUCPAXBIZKBQTE-ZDUSSCGKSA-N 1 0 280.375 2.494 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccsc1)N(CCC#N)CCOC ZINC000071221955 176087401 /nfs/dbraw/zinc/08/74/01/176087401.db2.gz MPPURMIMMYLCFB-UONOGXRCSA-N 1 0 281.425 2.389 10 30 CEEERO C[NH2+][C@@H](C)c1ccccc1N(CCC#N)CCOC ZINC000071226156 176089910 /nfs/dbraw/zinc/08/99/10/176089910.db2.gz ADJHEYCYCCZIAU-ZDUSSCGKSA-N 1 0 261.369 2.333 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000071264383 176098254 /nfs/dbraw/zinc/09/82/54/176098254.db2.gz ONXQOWAGDQJIGV-OAHLLOKOSA-N 1 0 261.344 2.271 10 30 CEEERO C=CCCOc1ccc(C[NH2+]CCOC)cc1OC ZINC000071274954 176106096 /nfs/dbraw/zinc/10/60/96/176106096.db2.gz XHRRXDOSVUSRME-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO C=CCCCOc1cc([N+](=O)[O-])c(C[NH3+])cc1OC ZINC000071274325 176106425 /nfs/dbraw/zinc/10/64/25/176106425.db2.gz WKVRQRWOVSWGDS-UHFFFAOYSA-N 1 0 266.297 2.407 10 30 CEEERO CC(C)(C)CC(=O)NCc1cc(C#CC[NH3+])cs1 ZINC000071322474 176122799 /nfs/dbraw/zinc/12/27/99/176122799.db2.gz JCISXMLXUPFGMB-UHFFFAOYSA-N 1 0 264.394 2.111 10 30 CEEERO C#CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000077465039 177271895 /nfs/dbraw/zinc/27/18/95/177271895.db2.gz OPMPZQDBJYQTMQ-NVXWUHKLSA-N 1 0 273.376 2.339 10 30 CEEERO CCC[C@H](CC[NH3+])CCC(=O)N[C@@H](CC)CC#N ZINC000079241637 177454541 /nfs/dbraw/zinc/45/45/41/177454541.db2.gz CHGDQIMBBMVKHD-STQMWFEESA-N 1 0 253.390 2.340 10 30 CEEERO CCC[NH2+]Cc1csc(N(C)C[C@@H](C)C#N)n1 ZINC000079955941 177588126 /nfs/dbraw/zinc/58/81/26/177588126.db2.gz HQDSUQBKBHUKNB-JTQLQIEISA-N 1 0 252.387 2.239 10 30 CEEERO C=C[C@](C)(CCOC)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000249414057 261252444 /nfs/dbraw/zinc/25/24/44/261252444.db2.gz YPYGBVHWWPDGBO-IIAWOOMASA-N 1 0 282.428 2.060 10 30 CEEERO CC[C@@H]1CCC[C@H](NC(NCCn2cc(C)cn2)=[NH+]C)C1 ZINC000131806536 264383096 /nfs/dbraw/zinc/38/30/96/264383096.db2.gz GYEDMRCOVJVIRG-CABCVRRESA-N 1 0 291.443 2.325 10 30 CEEERO C[C@@H]1[C@H]([NH3+])CCN1c1cc(C#N)c2ccccc2n1 ZINC000261590821 274437935 /nfs/dbraw/zinc/43/79/35/274437935.db2.gz LODBNTHXXNGPRP-ZWNOBZJWSA-N 1 0 252.321 2.032 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000132472165 274507745 /nfs/dbraw/zinc/50/77/45/274507745.db2.gz XXGUJACTRLAPII-WPRPVWTQSA-N 1 0 284.285 2.146 10 30 CEEERO Cc1cc(C#N)cc(NC[C@@H]2[NH2+]CCCC2(C)C)n1 ZINC000235826834 274676992 /nfs/dbraw/zinc/67/69/92/274676992.db2.gz COBDCDDGBXXZIF-ZDUSSCGKSA-N 1 0 258.369 2.452 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CC[C@@H]([NH3+])C(C)(C)C2)n1 ZINC000261597816 274682800 /nfs/dbraw/zinc/68/28/00/274682800.db2.gz OYRJOZXJDJMQLP-CYBMUJFWSA-N 1 0 258.369 2.134 10 30 CEEERO CC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246422494 278145284 /nfs/dbraw/zinc/14/52/84/278145284.db2.gz RYEUYVUUYUUFCX-BLLLJJGKSA-N 1 0 271.364 2.220 10 30 CEEERO C[C@H]1CCCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000070178470 279672356 /nfs/dbraw/zinc/67/23/56/279672356.db2.gz NXTYBOBNTBCZBT-IINYFYTJSA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2sccc2C#N)C1 ZINC000155641575 289179409 /nfs/dbraw/zinc/17/94/09/289179409.db2.gz WIJXAYHDDOSZQM-PWSUYJOCSA-N 1 0 277.393 2.078 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382443626 321840061 /nfs/dbraw/zinc/84/00/61/321840061.db2.gz HQNJYUONQIHGCR-YPMHNXCESA-N 1 0 266.348 2.068 10 30 CEEERO C[C@H](C#N)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400464358 329708143 /nfs/dbraw/zinc/70/81/43/329708143.db2.gz VQEMPZVOZPOCPL-AGIUHOORSA-N 1 0 281.400 2.381 10 30 CEEERO CC(C)c1cccc(NC(=[NH2+])NCC(=O)N2CCCC2)c1 ZINC000262282384 330003625 /nfs/dbraw/zinc/00/36/25/330003625.db2.gz LXAIJGQWHOBVIA-UHFFFAOYSA-N 1 0 288.395 2.159 10 30 CEEERO CC(C)CNC(=[NH2+])NCC1(C(F)(F)F)CCC1 ZINC000262670724 330025765 /nfs/dbraw/zinc/02/57/65/330025765.db2.gz QUXYVLCCEYHUMQ-UHFFFAOYSA-N 1 0 251.296 2.279 10 30 CEEERO CN1C[C@@H](CNC(=[NH2+])NC2CCCC2)Cc2ccccc21 ZINC000262856821 330035561 /nfs/dbraw/zinc/03/55/61/330035561.db2.gz YDHORGVMAOCHAL-CYBMUJFWSA-N 1 0 286.423 2.142 10 30 CEEERO COc1ccc([C@H]2C[C@H](NC3=[NH+]CCCN3C)C2)cc1F ZINC000263039377 330040087 /nfs/dbraw/zinc/04/00/87/330040087.db2.gz CETSJYSNHVORJV-JOCQHMNTSA-N 1 0 291.370 2.361 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCc1ccnc(C)c1 ZINC000263053982 330041098 /nfs/dbraw/zinc/04/10/98/330041098.db2.gz DTNWCTUPSVDICA-UHFFFAOYSA-N 1 0 284.363 2.463 10 30 CEEERO Cc1cccnc1C(C)(C)CNC(=[NH2+])NC1CCC1 ZINC000263178283 330047749 /nfs/dbraw/zinc/04/77/49/330047749.db2.gz TUGJLPZMYLHEIN-UHFFFAOYSA-N 1 0 260.385 2.124 10 30 CEEERO C=C[C@@H](C)Oc1cc(C[NH2+]CCOC)ccc1[N+](=O)[O-] ZINC000062733396 519292996 /nfs/dbraw/zinc/29/29/96/519292996.db2.gz FHLBYGMDHULLJI-LLVKDONJSA-N 1 0 280.324 2.284 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616564 519739103 /nfs/dbraw/zinc/73/91/03/519739103.db2.gz PXNTYVPONPOIQY-HOCLYGCPSA-N 1 0 281.444 2.404 10 30 CEEERO CCC[C@H](C)C(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586373 521003387 /nfs/dbraw/zinc/00/33/87/521003387.db2.gz NKUFQWHTVNBXLX-ZDUSSCGKSA-N 1 0 258.365 2.049 10 30 CEEERO CC[N@H+](CCOC)Cc1ccc(C#CCCO)cc1F ZINC000049614273 521133845 /nfs/dbraw/zinc/13/38/45/521133845.db2.gz BIAOHORRBQDLCT-UHFFFAOYSA-N 1 0 279.355 2.028 10 30 CEEERO C=C(Br)C[NH2+][C@H](C)CN1CCCCC1 ZINC000049501431 518585772 /nfs/dbraw/zinc/58/57/72/518585772.db2.gz HTKKUHRRCZMNBY-LLVKDONJSA-N 1 0 261.207 2.359 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611468 519735475 /nfs/dbraw/zinc/73/54/75/519735475.db2.gz QTEMECFHDVNLEN-GDBMZVCRSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000156800228 519796491 /nfs/dbraw/zinc/79/64/91/519796491.db2.gz WUBGPRCQVLTYNT-ZDUSSCGKSA-N 1 0 276.340 2.276 10 30 CEEERO CC[NH2+]C[C@H](C)C(=O)Nc1cc(Cl)ccc1C#N ZINC000061231189 519965821 /nfs/dbraw/zinc/96/58/21/519965821.db2.gz UZMURHIKVDPSJT-VIFPVBQESA-N 1 0 265.744 2.396 10 30 CEEERO CC[NH2+]C[C@H](C)C(=O)Nc1sc(C)c(C)c1C#N ZINC000061267503 519969753 /nfs/dbraw/zinc/96/97/53/519969753.db2.gz SLYGHEIDSKQKEC-QMMMGPOBSA-N 1 0 265.382 2.421 10 30 CEEERO CC[NH2+][C@H](C)CC(=O)Nc1cc(C#N)cc(F)c1C ZINC000061271181 520168500 /nfs/dbraw/zinc/16/85/00/520168500.db2.gz LJXKNXHVLRPUJM-SECBINFHSA-N 1 0 263.316 2.332 10 30 CEEERO CCCC[N@H+](CCO)Cc1ccc(C#CCCO)cc1 ZINC000049614003 520523792 /nfs/dbraw/zinc/52/37/92/520523792.db2.gz OEPOTTGETNVVOU-UHFFFAOYSA-N 1 0 275.392 2.015 10 30 CEEERO CCOc1cc(C[NH2+]CCOC)ccc1O[C@H](C)C#N ZINC000062731248 520716270 /nfs/dbraw/zinc/71/62/70/520716270.db2.gz CBVCFLZJQBLKQC-GFCCVEGCSA-N 1 0 278.352 2.112 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000069461764 521296576 /nfs/dbraw/zinc/29/65/76/521296576.db2.gz FNWZFBRQAVWUQV-UHFFFAOYSA-N 1 0 264.394 2.319 10 30 CEEERO CC[NH+]1CCC(N(C)C[C@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069080092 521563879 /nfs/dbraw/zinc/56/38/79/521563879.db2.gz ZLMXBFXPEFQVJP-KRWDZBQOSA-N 1 0 292.471 2.073 10 30 CEEERO CCc1cccc(NC(=O)c2cncc(C#CC[NH3+])c2)c1 ZINC000049629373 521767904 /nfs/dbraw/zinc/76/79/04/521767904.db2.gz GNXMHFWSPHKQKD-UHFFFAOYSA-N 1 0 279.343 2.207 10 30 CEEERO C[NH+](C)C[C@H]1CCCN1C(=O)C1(C#N)CCCCC1 ZINC000061645837 521861220 /nfs/dbraw/zinc/86/12/20/521861220.db2.gz WCRXMTXBMHKYIR-CYBMUJFWSA-N 1 0 263.385 2.013 10 30 CEEERO CC[C@@H](C)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049617189 522062979 /nfs/dbraw/zinc/06/29/79/522062979.db2.gz ZAOSVTCPRZYCAN-CQSZACIVSA-N 1 0 261.365 2.140 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000049105833 522357760 /nfs/dbraw/zinc/35/77/60/522357760.db2.gz KRKBSCSMANGXJV-NEPJUHHUSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@@H]([NH3+])Cc1c(C)nn(Cc2cccnc2C#N)c1C ZINC000062803326 522641586 /nfs/dbraw/zinc/64/15/86/522641586.db2.gz BHFSTJMVEWAFRZ-CQSZACIVSA-N 1 0 283.379 2.095 10 30 CEEERO C[N@@H+](Cc1ccc(F)cc1C#CCO)C[C@@H]1CCCCO1 ZINC000049613707 523252898 /nfs/dbraw/zinc/25/28/98/523252898.db2.gz XSXBZTSKYZVOHV-KRWDZBQOSA-N 1 0 291.366 2.170 10 30 CEEERO CN(Cc1ccncc1)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609303 523461660 /nfs/dbraw/zinc/46/16/60/523461660.db2.gz CKAVMCMTYZOFTJ-UHFFFAOYSA-N 1 0 283.350 2.163 10 30 CEEERO COCC[N@H+](C)CCNc1ccc(Cl)cc1C#N ZINC000061379465 523614478 /nfs/dbraw/zinc/61/44/78/523614478.db2.gz FCLUMRCWAHRLCP-UHFFFAOYSA-N 1 0 267.760 2.202 10 30 CEEERO CN(C(=O)c1cncc(C#CC[NH3+])c1)C1CCCCCC1 ZINC000049629464 523959202 /nfs/dbraw/zinc/95/92/02/523959202.db2.gz FBIKQNQRODHNMH-UHFFFAOYSA-N 1 0 285.391 2.187 10 30 CEEERO C[NH+](C)CC1CCN(C(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615093 524049210 /nfs/dbraw/zinc/04/92/10/524049210.db2.gz CWMVQCIBZCRZOO-MRXNPFEDSA-N 1 0 285.391 2.094 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])s2)[C@H]1C ZINC000050568542 524209338 /nfs/dbraw/zinc/20/93/38/524209338.db2.gz LLLUGCBHFRYQJR-NEPJUHHUSA-N 1 0 276.405 2.319 10 30 CEEERO C[C@H]1CC[N@H+](Cc2ccc(F)c(C#CCCO)c2)C1 ZINC000049613641 524294023 /nfs/dbraw/zinc/29/40/23/524294023.db2.gz NIRFKWNKZVLSPH-ZDUSSCGKSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@H]([NH3+])Cc1ccccc1OCc1cccnc1C#N ZINC000061659881 524834677 /nfs/dbraw/zinc/83/46/77/524834677.db2.gz RLAWUGLNJUUHPI-LBPRGKRZSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@H]([NH3+])[C@@H](c1ccccn1)N(C)Cc1cccc(C#N)c1 ZINC000061949504 524838190 /nfs/dbraw/zinc/83/81/90/524838190.db2.gz YAUPDTSAUSFXLA-GUYCJALGSA-N 1 0 280.375 2.474 10 30 CEEERO COc1ccc(OCc2cccnc2C#N)c(CC[NH3+])c1 ZINC000061659790 524975618 /nfs/dbraw/zinc/97/56/18/524975618.db2.gz LXPYMONOEOUJBV-UHFFFAOYSA-N 1 0 283.331 2.042 10 30 CEEERO Cc1ccccc1C(=O)NCc1cccc(C#CC[NH3+])c1 ZINC000049586518 525058709 /nfs/dbraw/zinc/05/87/09/525058709.db2.gz DKZDTSKENKWYDP-UHFFFAOYSA-N 1 0 278.355 2.235 10 30 CEEERO CSC[C@@H](C)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000069447946 525621905 /nfs/dbraw/zinc/62/19/05/525621905.db2.gz SRQHOSINSCTERR-FZMZJTMJSA-N 1 0 264.394 2.180 10 30 CEEERO Cc1nn(Cc2ccccc2C#N)c(C)c1C[C@H](C)[NH3+] ZINC000062803224 526296624 /nfs/dbraw/zinc/29/66/24/526296624.db2.gz OUCKQIPFHZZQOT-NSHDSACASA-N 1 0 268.364 2.310 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)CCC1CC[NH2+]CC1 ZINC000050947810 526457592 /nfs/dbraw/zinc/45/75/92/526457592.db2.gz UCLQOYNGVGHNLV-UHFFFAOYSA-N 1 0 289.379 2.302 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061611498 526523915 /nfs/dbraw/zinc/52/39/15/526523915.db2.gz FTOHYZXAFYQXAD-LBPRGKRZSA-N 1 0 283.306 2.378 10 30 CEEERO N#Cc1cc(CN2CC[NH2+]Cc3ccccc32)ccn1 ZINC000068757839 526549457 /nfs/dbraw/zinc/54/94/57/526549457.db2.gz KPYRTARHIVGHPM-UHFFFAOYSA-N 1 0 264.332 2.063 10 30 CEEERO N#Cc1cc(NCc2ccc(CC[NH3+])cc2)ccn1 ZINC000061812559 526572878 /nfs/dbraw/zinc/57/28/78/526572878.db2.gz FYRKBUSPDKELQT-UHFFFAOYSA-N 1 0 252.321 2.067 10 30 CEEERO Cc1nc(NC(=O)c2cccc(C#CC[NH3+])c2)sc1C ZINC000049105915 526993530 /nfs/dbraw/zinc/99/35/30/526993530.db2.gz LWVWYDMQYVLKGM-UHFFFAOYSA-N 1 0 285.372 2.322 10 30 CEEERO [NH3+]CC#Cc1cccc(Cn2cnc3ccccc32)c1 ZINC000049610106 527153473 /nfs/dbraw/zinc/15/34/73/527153473.db2.gz RWVKNHQBTXTCAS-UHFFFAOYSA-N 1 0 261.328 2.395 10 30 CEEERO [NH3+]CC#Cc1ccccc1C(=O)NCCc1ccsc1 ZINC000049189237 527153791 /nfs/dbraw/zinc/15/37/91/527153791.db2.gz NOAVNHPEKSKCAB-UHFFFAOYSA-N 1 0 284.384 2.031 10 30 CEEERO Cc1ncsc1C(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586853 527474733 /nfs/dbraw/zinc/47/47/33/527474733.db2.gz WKHMMBJMKZEZBP-UHFFFAOYSA-N 1 0 299.399 2.034 10 30 CEEERO COC(=O)[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000234540043 624136947 /nfs/dbraw/zinc/13/69/47/624136947.db2.gz ZWOHZKAYQAUBRQ-QWHCGFSZSA-N 1 0 266.385 2.447 10 30 CEEERO C[C@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@@H]1C[NH3+] ZINC000235620067 624750977 /nfs/dbraw/zinc/75/09/77/624750977.db2.gz ALGOKIGYVRIKDP-YUMQZZPRSA-N 1 0 270.789 2.089 10 30 CEEERO Cc1nnc(NCC2([NH3+])CCCCC2)c(C#N)c1C ZINC000261592310 628942708 /nfs/dbraw/zinc/94/27/08/628942708.db2.gz MINUCHZGXUAGPX-UHFFFAOYSA-N 1 0 259.357 2.039 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089105854 631168548 /nfs/dbraw/zinc/16/85/48/631168548.db2.gz JKFZVTCNEYQSSK-SKDRFNHKSA-N 1 0 260.297 2.006 10 30 CEEERO CC[NH+]=C(NCCn1c(C)nc2ccccc21)N[C@@H]1C[C@H]1C ZINC000083881546 632225415 /nfs/dbraw/zinc/22/54/15/632225415.db2.gz CNDBYYUVULZCKG-IUODEOHRSA-N 1 0 299.422 2.308 10 30 CEEERO N#CCOc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061892072 639728111 /nfs/dbraw/zinc/72/81/11/639728111.db2.gz VQHLRPGGDAHGFX-DZGCQCFKSA-N 1 0 255.321 2.371 10 30 CEEERO CCCN(c1nc(Cl)c(C#N)s1)[C@H]1CC[NH2+]C1 ZINC000233040487 641300291 /nfs/dbraw/zinc/30/02/91/641300291.db2.gz IEJNNZKQABHKPR-QMMMGPOBSA-N 1 0 270.789 2.246 10 30 CEEERO C#CCC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000070246136 641651001 /nfs/dbraw/zinc/65/10/01/641651001.db2.gz OGCORHGVGDUDGE-UHFFFAOYSA-N 1 0 256.393 2.306 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386080 641754638 /nfs/dbraw/zinc/75/46/38/641754638.db2.gz GZLYMMAAROKTRI-CQSZACIVSA-N 1 0 266.348 2.295 10 30 CEEERO CCc1nnc(NCC2(C)CC[NH2+]CC2)c(C#N)c1CC ZINC000129469446 651976172 /nfs/dbraw/zinc/97/61/72/651976172.db2.gz QYZNWQPHFYSNTA-UHFFFAOYSA-N 1 0 287.411 2.275 10 30 CEEERO N#Cc1cc(F)c(N2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000133688751 652705122 /nfs/dbraw/zinc/70/51/22/652705122.db2.gz RHNMIQVAGNLYJD-SNVBAGLBSA-N 1 0 265.307 2.402 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1nc(C(F)(F)F)ccc1C#N ZINC000216213356 652969731 /nfs/dbraw/zinc/96/97/31/652969731.db2.gz FZWSSLIKYRVBMK-DTWKUNHWSA-N 1 0 284.285 2.146 10 30 CEEERO C[N+](C)(CC(=O)NCCOc1ccccc1)C1CCCC1 ZINC000029414116 717118569 /nfs/dbraw/zinc/11/85/69/717118569.db2.gz WNIWXHABSPYLGW-UHFFFAOYSA-O 1 0 291.415 2.201 10 30 CEEERO C=C(Br)CN1CCCC[C@@H]1C[NH2+]CC ZINC000082646161 178141785 /nfs/dbraw/zinc/14/17/85/178141785.db2.gz GGEPNJIRJQOHEY-LLVKDONJSA-N 1 0 261.207 2.359 10 30 CEEERO C[C@]1(CNc2cc(C#N)ccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000124908244 187160847 /nfs/dbraw/zinc/16/08/47/187160847.db2.gz INHZUVOQKSHJGV-AWEZNQCLSA-N 1 0 274.324 2.268 10 30 CEEERO C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000096889350 185124302 /nfs/dbraw/zinc/12/43/02/185124302.db2.gz GCKZZRCPHYELPG-GFCCVEGCSA-N 1 0 274.324 2.363 10 30 CEEERO C[C@@H](C#N)Oc1ccc(Br)cc1C[NH3+] ZINC000043513357 362147196 /nfs/dbraw/zinc/14/71/96/362147196.db2.gz OSOMUAHBBFZDKY-ZETCQYMHSA-N 1 0 255.115 2.199 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])c(C#N)c1 ZINC000127877551 187338052 /nfs/dbraw/zinc/33/80/52/187338052.db2.gz HEWINRYRGKCAMN-CYBMUJFWSA-N 1 0 276.340 2.276 10 30 CEEERO C[NH+](C)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000162903740 344469385 /nfs/dbraw/zinc/46/93/85/344469385.db2.gz UDIVEWNVYLDVAF-CYBMUJFWSA-N 1 0 263.772 2.348 10 30 CEEERO Cc1cc(C#N)ccc1CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000165499239 344474200 /nfs/dbraw/zinc/47/42/00/344474200.db2.gz RDMJITSIBWJEDJ-CZUORRHYSA-N 1 0 257.381 2.249 10 30 CEEERO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)ccn1 ZINC000253092753 344642782 /nfs/dbraw/zinc/64/27/82/344642782.db2.gz LKOXVIRYCKWPPX-BRWVUGGUSA-N 1 0 285.391 2.469 10 30 CEEERO Cc1cc(NCc2ccc3c(c2)C[NH2+]C3)cc(C#N)n1 ZINC000308246745 344726947 /nfs/dbraw/zinc/72/69/47/344726947.db2.gz YZDJRQIGBFVWKN-UHFFFAOYSA-N 1 0 264.332 2.477 10 30 CEEERO Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)cc(C#N)n1 ZINC000308241166 344727136 /nfs/dbraw/zinc/72/71/36/344727136.db2.gz OMUCZWJPXJPXOI-MRXNPFEDSA-N 1 0 270.380 2.230 10 30 CEEERO Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C#CC[NH3+] ZINC000306269515 344712919 /nfs/dbraw/zinc/71/29/19/344712919.db2.gz MPCSESRDRJHBJN-UHFFFAOYSA-N 1 0 290.322 2.106 10 30 CEEERO Brc1cscc1C#C[C@@H]1CC[NH2+]C1 ZINC000404638579 344881455 /nfs/dbraw/zinc/88/14/55/344881455.db2.gz KPTVLTCILKPCQE-MRVPVSSYSA-N 1 0 256.168 2.472 10 30 CEEERO N#Cc1cc(NCCC2(C[NH3+])CC2)nc2ccccc12 ZINC000404861194 344882732 /nfs/dbraw/zinc/88/27/32/344882732.db2.gz WMRPSGDPUYHHMR-UHFFFAOYSA-N 1 0 266.348 2.069 10 30 CEEERO COC(=O)c1ccc(CO/N=C2\C[NH+]3CCC2CC3)cc1 ZINC000584660159 344974682 /nfs/dbraw/zinc/97/46/82/344974682.db2.gz MCRHTSHHQYQGEJ-BMRADRMJSA-N 1 0 288.347 2.071 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C)nc(C)c1C#N ZINC000127355614 187299740 /nfs/dbraw/zinc/29/97/40/187299740.db2.gz SIONABKBJTWGED-AWEZNQCLSA-N 1 0 272.396 2.491 10 30 CEEERO CN(CC(C)(C)[NH3+])c1ccc(C#N)cc1Br ZINC000594692905 345673001 /nfs/dbraw/zinc/67/30/01/345673001.db2.gz FPFAXGOBIHJDPH-UHFFFAOYSA-N 1 0 282.185 2.494 10 30 CEEERO CCOC(=O)CCC[NH2+]Cc1cc(F)ccc1C#N ZINC000085148243 178959135 /nfs/dbraw/zinc/95/91/35/178959135.db2.gz FOYIFFCTDWVLDE-UHFFFAOYSA-N 1 0 264.300 2.130 10 30 CEEERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592271 136514296 /nfs/dbraw/zinc/51/42/96/136514296.db2.gz BJDUTVSJXLAKKK-GHMZBOCLSA-N 1 0 274.324 2.030 10 30 CEEERO CCc1nnc(N[C@H](C)CCCC[NH3+])c(C#N)c1CC ZINC000312498755 201909891 /nfs/dbraw/zinc/90/98/91/201909891.db2.gz LCTNRNYNXXRZBS-LLVKDONJSA-N 1 0 275.400 2.402 10 30 CEEERO N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000085363068 179034468 /nfs/dbraw/zinc/03/44/68/179034468.db2.gz QEJLAFGJYJMYRY-KGLIPLIRSA-N 1 0 257.337 2.209 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085368554 179037982 /nfs/dbraw/zinc/03/79/82/179037982.db2.gz SCJDRKWDQMEZEW-HIFRSBDPSA-N 1 0 289.354 2.173 10 30 CEEERO C=CCN(C(=O)[C@H]1CCCC[C@H]1[NH3+])C1CCCC1 ZINC000085368885 179038796 /nfs/dbraw/zinc/03/87/96/179038796.db2.gz OGQOEXWSKGTENS-UONOGXRCSA-N 1 0 250.386 2.461 10 30 CEEERO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C[NH2+]1 ZINC000600955019 346716278 /nfs/dbraw/zinc/71/62/78/346716278.db2.gz IGCFCKIQZZGUMQ-CABZTGNLSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@@H]1CC[C@H](Nc2c(F)cc(C#N)cc2F)C[NH2+]1 ZINC000600956290 346717259 /nfs/dbraw/zinc/71/72/59/346717259.db2.gz YYZCCPQDOCANTK-SCZZXKLOSA-N 1 0 251.280 2.389 10 30 CEEERO C[C@@H]1CN(c2nc(C(F)(F)F)ccc2C#N)C[C@H]1C[NH3+] ZINC000600960854 346719380 /nfs/dbraw/zinc/71/93/80/346719380.db2.gz JGUGYLGHGSFMOR-PSASIEDQSA-N 1 0 284.285 2.003 10 30 CEEERO C=C(C)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000128476421 187372953 /nfs/dbraw/zinc/37/29/53/187372953.db2.gz HAFFDCHOCKKSRR-NSHDSACASA-N 1 0 253.367 2.317 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085965488 179205573 /nfs/dbraw/zinc/20/55/73/179205573.db2.gz YQLYAKYMGGWHMI-HOCLYGCPSA-N 1 0 274.364 2.230 10 30 CEEERO CC[C@@H]1CN(C(=O)c2ccc(C#N)cc2)[C@@H](CC)C[NH2+]1 ZINC000086447499 179295919 /nfs/dbraw/zinc/29/59/19/179295919.db2.gz FGJLZMHHOGXZGT-CABCVRRESA-N 1 0 271.364 2.161 10 30 CEEERO C[NH2+]C1(CC(=O)N(CCC#N)C2CC2)CCCCC1 ZINC000087577328 179449412 /nfs/dbraw/zinc/44/94/12/179449412.db2.gz DNTMHNQMOTXQLF-UHFFFAOYSA-N 1 0 263.385 2.203 10 30 CEEERO COc1ccc(COCC2([NH3+])CCCC2)cc1C#N ZINC000087832305 179496484 /nfs/dbraw/zinc/49/64/84/179496484.db2.gz FCGXHJNIHZOXTA-UHFFFAOYSA-N 1 0 260.337 2.355 10 30 CEEERO CC[C@@H](C#N)N1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000088102351 179547964 /nfs/dbraw/zinc/54/79/64/179547964.db2.gz YFONTBNUDVDWGR-INIZCTEOSA-N 1 0 287.407 2.157 10 30 CEEERO CN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCC[C@@H]1C[NH3+] ZINC000089112871 179706740 /nfs/dbraw/zinc/70/67/40/179706740.db2.gz IMROFXMZJXNXJR-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089388405 179778089 /nfs/dbraw/zinc/77/80/89/179778089.db2.gz WDYHJFOMYKLXAY-QWRGUYRKSA-N 1 0 275.327 2.401 10 30 CEEERO C[C@H](C[NH3+])CSCCC(=O)Nc1ccccc1C#N ZINC000090350125 179972250 /nfs/dbraw/zinc/97/22/50/179972250.db2.gz RUWHEUUENWKOLC-LLVKDONJSA-N 1 0 277.393 2.215 10 30 CEEERO N#CCOc1ccc(C[NH2+]CCc2cscn2)cc1 ZINC000104444969 186004618 /nfs/dbraw/zinc/00/46/18/186004618.db2.gz XXZGMLOHGQDLGN-UHFFFAOYSA-N 1 0 273.361 2.378 10 30 CEEERO C#CCNC(=O)[C@H](C)Sc1cccc(C[NH2+]C(C)C)c1 ZINC000090871949 180050287 /nfs/dbraw/zinc/05/02/87/180050287.db2.gz ACGHEDWVBAPOAT-ZDUSSCGKSA-N 1 0 290.432 2.415 10 30 CEEERO C[C@@H]([NH3+])Cc1ccn(Cc2ccc(C#N)cc2F)c1 ZINC000091005868 180084735 /nfs/dbraw/zinc/08/47/35/180084735.db2.gz JPSDTUSNFVQGER-LLVKDONJSA-N 1 0 257.312 2.437 10 30 CEEERO C[C@H](CCO)SCc1ccc(C#CC[NH3+])cc1F ZINC000091266321 180117064 /nfs/dbraw/zinc/11/70/64/180117064.db2.gz MQJHKRAFZKSEOR-LLVKDONJSA-N 1 0 267.369 2.140 10 30 CEEERO Cc1cccc(NC(=O)c2ccncc2C#CC[NH3+])c1C ZINC000091461152 180161585 /nfs/dbraw/zinc/16/15/85/180161585.db2.gz WNALSUQVTONDEQ-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO N#Cc1cc(OC2CC(C[NH3+])C2)nc2ccccc12 ZINC000091460232 180161662 /nfs/dbraw/zinc/16/16/62/180161662.db2.gz ACCMISHIHIDLTB-UHFFFAOYSA-N 1 0 253.305 2.223 10 30 CEEERO CC1(C)C(C(=O)Nc2ncc(C#CC[NH3+])s2)C1(C)C ZINC000091492980 180170502 /nfs/dbraw/zinc/17/05/02/180170502.db2.gz GPSPJYDQKJZRIZ-UHFFFAOYSA-N 1 0 277.393 2.074 10 30 CEEERO Cc1ncccc1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000091497952 180173020 /nfs/dbraw/zinc/17/30/20/180173020.db2.gz YCORMQXHOJDCMK-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CC#CC[C@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646279 180215736 /nfs/dbraw/zinc/21/57/36/180215736.db2.gz HAOFHPJWIJANCG-HNNXBMFYSA-N 1 0 264.413 2.023 10 30 CEEERO Cc1ccc(C#N)c(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000091670595 180224074 /nfs/dbraw/zinc/22/40/74/180224074.db2.gz KYCFMSZCDMBRNN-HUUCEWRRSA-N 1 0 271.364 2.142 10 30 CEEERO C=CCC[C@H]([NH2+]CCC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000091722294 180239786 /nfs/dbraw/zinc/23/97/86/180239786.db2.gz ZIQXSQRZLIYCBM-QLFBSQMISA-N 1 0 252.402 2.184 10 30 CEEERO C=C(C)[C@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000092128404 180329049 /nfs/dbraw/zinc/32/90/49/180329049.db2.gz SPIUMRMABLITND-AWEZNQCLSA-N 1 0 252.402 2.186 10 30 CEEERO C=C(C)C[C@H]([NH2+]CCC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000092130325 180329685 /nfs/dbraw/zinc/32/96/85/180329685.db2.gz OASHJGPMZCFNAV-ILXRZTDVSA-N 1 0 252.402 2.184 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000092133000 180330392 /nfs/dbraw/zinc/33/03/92/180330392.db2.gz CASDKGNHDUMKFR-LLVKDONJSA-N 1 0 259.353 2.282 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000092132731 180330661 /nfs/dbraw/zinc/33/06/61/180330661.db2.gz QLCLTQCTABLVFC-QMMMGPOBSA-N 1 0 251.717 2.006 10 30 CEEERO N#Cc1ccccc1C[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105882893 186082872 /nfs/dbraw/zinc/08/28/72/186082872.db2.gz FVZGTPSJLJNASG-AWEZNQCLSA-N 1 0 281.363 2.062 10 30 CEEERO C=C(C)C[NH+]1CCC(NC(=O)N2CCS[C@@H](C)C2)CC1 ZINC000106275432 186106468 /nfs/dbraw/zinc/10/64/68/186106468.db2.gz GQGINDFHUAWODU-ZDUSSCGKSA-N 1 0 297.468 2.174 10 30 CEEERO Cc1cc(NC(=O)c2ccc(F)cc2C#CC[NH3+])ccn1 ZINC000092365946 180369120 /nfs/dbraw/zinc/36/91/20/180369120.db2.gz OJJWTYCAUKHQFD-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000092473746 180392933 /nfs/dbraw/zinc/39/29/33/180392933.db2.gz NMXPQDHSJKDDFL-SNVBAGLBSA-N 1 0 297.196 2.402 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1cccc(OC(C)C)c1 ZINC000092473968 180393700 /nfs/dbraw/zinc/39/37/00/180393700.db2.gz CZJFHAQOZIUOSR-CYBMUJFWSA-N 1 0 276.380 2.427 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@H]1c1ccccc1C ZINC000092474878 180393907 /nfs/dbraw/zinc/39/39/07/180393907.db2.gz GQYNESZKZSIFJV-HNNXBMFYSA-N 1 0 258.365 2.434 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccccc2C#CC[NH3+])CC1 ZINC000110817751 186327295 /nfs/dbraw/zinc/32/72/95/186327295.db2.gz YYLNRGBZWFFLDK-CQSZACIVSA-N 1 0 270.376 2.259 10 30 CEEERO CCN(Cc1cc(C#N)ccc1F)[C@H]1CCC[NH2+]C1 ZINC000110943147 186335204 /nfs/dbraw/zinc/33/52/04/186335204.db2.gz JQFOSLQVUFSCPS-AWEZNQCLSA-N 1 0 261.344 2.271 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737486 186318852 /nfs/dbraw/zinc/31/88/52/186318852.db2.gz MVGFTEZCDYEXEK-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO C#CCCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000156027720 188239305 /nfs/dbraw/zinc/23/93/05/188239305.db2.gz JDFAEPXMEAOFAY-INIZCTEOSA-N 1 0 272.392 2.079 10 30 CEEERO CCC([NH3+])(CC)CNc1c(C#N)nnc2ccccc21 ZINC000133493701 366229543 /nfs/dbraw/zinc/22/95/43/366229543.db2.gz VBXWPLHLAUUWIB-UHFFFAOYSA-N 1 0 269.352 2.431 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@H](C[NH3+])C1 ZINC000050249539 283092790 /nfs/dbraw/zinc/09/27/90/283092790.db2.gz RNAVNAGBKRBEJW-SECBINFHSA-N 1 0 269.270 2.362 10 30 CEEERO N#Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)nc2ccccc12 ZINC000261738409 283108887 /nfs/dbraw/zinc/10/88/87/283108887.db2.gz RXZPDEGQSLWFEJ-NILFDRSVSA-N 1 0 278.359 2.280 10 30 CEEERO N#Cc1ccc(N2CCC([NH3+])CC2)c(Br)c1 ZINC000116942673 283154029 /nfs/dbraw/zinc/15/40/29/283154029.db2.gz RKSDKGNESOSBPE-UHFFFAOYSA-N 1 0 280.169 2.248 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133689601 366248639 /nfs/dbraw/zinc/24/86/39/366248639.db2.gz GTEDHVCDDHUMSC-ONGXEEELSA-N 1 0 265.307 2.400 10 30 CEEERO C=C(C)CN(C)c1ncc(Br)c(NC)n1 ZINC000133854849 366262618 /nfs/dbraw/zinc/26/26/18/366262618.db2.gz IGMVXTNSBMENNF-UHFFFAOYSA-N 1 0 271.162 2.293 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000089108371 283179849 /nfs/dbraw/zinc/17/98/49/283179849.db2.gz PNNUYNPPHFLZGO-NWDGAFQWSA-N 1 0 274.324 2.396 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1C#N ZINC000083550800 363779624 /nfs/dbraw/zinc/77/96/24/363779624.db2.gz LKXSQFXMMRCBRZ-GDBMZVCRSA-N 1 0 285.391 2.106 10 30 CEEERO C#CC[N@@H+](C[C@H](O)COC(C)(C)C)C1CCCC1 ZINC000154938104 366798838 /nfs/dbraw/zinc/79/88/38/366798838.db2.gz QILQXBUMPHMSAI-AWEZNQCLSA-N 1 0 253.386 2.040 10 30 CEEERO COCC#CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000678758760 541169438 /nfs/dbraw/zinc/16/94/38/541169438.db2.gz FUBBPDDVISQXBT-LBPRGKRZSA-N 1 0 263.337 2.004 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccccc1C#N ZINC000092628707 364089785 /nfs/dbraw/zinc/08/97/85/364089785.db2.gz MVCPBHJWACCJNM-MRXNPFEDSA-N 1 0 257.381 2.474 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)o1 ZINC000092812594 364109376 /nfs/dbraw/zinc/10/93/76/364109376.db2.gz FETUBQZDLFELFA-ZDUSSCGKSA-N 1 0 282.347 2.480 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094592231 364281318 /nfs/dbraw/zinc/28/13/18/364281318.db2.gz RQLYQUCNHNRFDT-JTQLQIEISA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)COC(C)(C)C ZINC000157238928 366842487 /nfs/dbraw/zinc/84/24/87/366842487.db2.gz VMCMWMOINVINCO-CYBMUJFWSA-N 1 0 270.417 2.424 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(CC#N)cc1 ZINC000335747018 364923468 /nfs/dbraw/zinc/92/34/68/364923468.db2.gz OCPOBHZHVPVUSU-YOEHRIQHSA-N 1 0 269.392 2.421 10 30 CEEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000116042661 365034001 /nfs/dbraw/zinc/03/40/01/365034001.db2.gz YJILREZKLHWMMA-OAHLLOKOSA-N 1 0 286.375 2.288 10 30 CEEERO C#CCN(C(=O)N[C@@H]1CCC[N@@H+](CC)C1)C1CCCC1 ZINC000164543718 367288463 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N#Cc1cc2c(nc1N1[C@@H]3CC[C@H]1CC([NH3+])C3)CCCC2 ZINC000043409854 184559610 /nfs/dbraw/zinc/55/96/10/184559610.db2.gz MSEGCDRGHKMJNK-GOOCMWNKSA-N 1 0 282.391 2.291 10 30 CEEERO CCCC(C#N)(CCC)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000044823692 184560538 /nfs/dbraw/zinc/56/05/38/184560538.db2.gz OOOBRQVYEJZJFP-ZDUSSCGKSA-N 1 0 265.401 2.164 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@]1(C)c1ccccc1Br ZINC000093375258 184667997 /nfs/dbraw/zinc/66/79/97/184667997.db2.gz LRCNLQDZLRHYRY-CYBMUJFWSA-N 1 0 294.196 2.481 10 30 CEEERO C[C@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000080906516 177725905 /nfs/dbraw/zinc/72/59/05/177725905.db2.gz XFUCGBBEOMRRDR-NHYWBVRUSA-N 1 0 257.337 2.404 10 30 CEEERO CCN(c1nc(C(F)(F)F)ccc1C#N)[C@H]1CC[NH2+]C1 ZINC000094337432 184783090 /nfs/dbraw/zinc/78/30/90/184783090.db2.gz PKMBINHNNUOJCJ-JTQLQIEISA-N 1 0 284.285 2.160 10 30 CEEERO C[C@H]1CN(c2c(F)cc(C#N)cc2F)C[C@H]1[NH+](C)C ZINC000251760468 131131429 /nfs/dbraw/zinc/13/14/29/131131429.db2.gz LUOPKYDBXWWLAU-TVQRCGJNSA-N 1 0 265.307 2.223 10 30 CEEERO C=CCN(CCc1ccco1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262435170 131220487 /nfs/dbraw/zinc/22/04/87/131220487.db2.gz XAEADZXIIIWTNW-KBPBESRZSA-N 1 0 276.380 2.225 10 30 CEEERO CC1(C)C[NH2+]CCN1c1nc2ccccc2cc1C#N ZINC000088147187 135053165 /nfs/dbraw/zinc/05/31/65/135053165.db2.gz YYJSVAYHLBWVCP-UHFFFAOYSA-N 1 0 266.348 2.295 10 30 CEEERO N#Cc1ccnc(N2CC[NH2+]CC23CCCCC3)c1 ZINC000088396737 135054144 /nfs/dbraw/zinc/05/41/44/135054144.db2.gz MFPIGINARBFKEK-UHFFFAOYSA-N 1 0 256.353 2.066 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094267052 135084322 /nfs/dbraw/zinc/08/43/22/135084322.db2.gz NKAZGSTYKKHEAQ-OAHLLOKOSA-N 1 0 278.359 2.391 10 30 CEEERO C#CCCCCNc1ncc(Br)c(NC)n1 ZINC000133301348 394949122 /nfs/dbraw/zinc/94/91/22/394949122.db2.gz MXSAMZQJZONAII-UHFFFAOYSA-N 1 0 283.173 2.496 10 30 CEEERO N#Cc1cc(Br)ccc1N1CCC[C@H]([NH3+])C1 ZINC000165299135 395086144 /nfs/dbraw/zinc/08/61/44/395086144.db2.gz YWVXBUJICKNGDV-NSHDSACASA-N 1 0 280.169 2.248 10 30 CEEERO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1cccs1 ZINC000182410513 395240424 /nfs/dbraw/zinc/24/04/24/395240424.db2.gz UXIGEFMQFKKSHY-GFCCVEGCSA-N 1 0 290.392 2.055 10 30 CEEERO C=CCCCCC[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000193338322 395407052 /nfs/dbraw/zinc/40/70/52/395407052.db2.gz PXOPXZJBVXVDOM-OAHLLOKOSA-N 1 0 263.385 2.330 10 30 CEEERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1cccc(C#N)c1)CC2 ZINC000195405001 153287002 /nfs/dbraw/zinc/28/70/02/153287002.db2.gz MFOSXVIOLVTZDC-OAHLLOKOSA-N 1 0 295.390 2.378 10 30 CEEERO CC[NH2+]CCNc1ccc(C#N)cc1Br ZINC000169223549 165034972 /nfs/dbraw/zinc/03/49/72/165034972.db2.gz YUIBLRJTBWGXOI-UHFFFAOYSA-N 1 0 268.158 2.342 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)cc1 ZINC000177101338 165185977 /nfs/dbraw/zinc/18/59/77/165185977.db2.gz FDBNTVMNWQPEPI-MRXNPFEDSA-N 1 0 266.348 2.419 10 30 CEEERO Cc1ccc(C(=O)C[n+]2ccsc2N=CN(C)C)cc1 ZINC000004276878 169952303 /nfs/dbraw/zinc/95/23/03/169952303.db2.gz WPZHRWPNNVRTJX-UHFFFAOYSA-N 1 0 288.396 2.448 10 30 CEEERO CC(C)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000037385999 173169265 /nfs/dbraw/zinc/16/92/65/173169265.db2.gz AMCPKQCJXGFHHU-UHFFFAOYSA-N 1 0 251.717 2.148 10 30 CEEERO CCNC1(C#N)CC[NH+](CCc2ccccc2)CC1 ZINC000037527518 173251357 /nfs/dbraw/zinc/25/13/57/173251357.db2.gz RGEXUTJCSIUXTI-UHFFFAOYSA-N 1 0 257.381 2.197 10 30 CEEERO Clc1ccc(Cl)c(C#CCN2CC[NH2+]CC2)c1 ZINC000037547775 173264143 /nfs/dbraw/zinc/26/41/43/173264143.db2.gz YBPBFWFLGPKGGQ-UHFFFAOYSA-N 1 0 269.175 2.250 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000037980727 173940347 /nfs/dbraw/zinc/94/03/47/173940347.db2.gz HRJANQFYJWRNEK-QWHCGFSZSA-N 1 0 258.365 2.038 10 30 CEEERO N#Cc1nc(-c2ccc(Cl)cc2)oc1N1CC[NH2+]CC1 ZINC000040165745 174197550 /nfs/dbraw/zinc/19/75/50/174197550.db2.gz GHIYDNADUTUQJV-UHFFFAOYSA-N 1 0 288.738 2.276 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000042168602 174649912 /nfs/dbraw/zinc/64/99/12/174649912.db2.gz LYQKQRWDUFQWLN-HNNXBMFYSA-N 1 0 288.391 2.352 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043349284 175019120 /nfs/dbraw/zinc/01/91/20/175019120.db2.gz NIYCADBAJUGGOS-BDJLRTHQSA-N 1 0 283.331 2.429 10 30 CEEERO CC[C@@H]([NH3+])[C@H](N(CCC#N)C(C)C)C(F)(F)F ZINC000043379008 175030732 /nfs/dbraw/zinc/03/07/32/175030732.db2.gz AMIZFORAGZTVPA-ZJUUUORDSA-N 1 0 251.296 2.279 10 30 CEEERO CC[C@H]1CO[C@H](C)CN1Cc1ccc(C#CC[NH3+])s1 ZINC000043683976 175092005 /nfs/dbraw/zinc/09/20/05/175092005.db2.gz IEEANJQYYGGUBS-OLZOCXBDSA-N 1 0 278.421 2.058 10 30 CEEERO CN(Cc1ccco1)Cc1sccc1C#CC[NH3+] ZINC000043683682 175092063 /nfs/dbraw/zinc/09/20/63/175092063.db2.gz XRPTVWAHWAUTIO-UHFFFAOYSA-N 1 0 260.362 2.283 10 30 CEEERO Cc1nn(Cc2cc(C#CC[NH3+])cs2)c(C)c1C ZINC000043689203 175096332 /nfs/dbraw/zinc/09/63/32/175096332.db2.gz RWFOYWGUVNIAHY-UHFFFAOYSA-N 1 0 259.378 2.228 10 30 CEEERO CC(C)[C@@H](C[NH+](C)C)NC(=O)C1(C#N)CCCCC1 ZINC000044766576 175249512 /nfs/dbraw/zinc/24/95/12/175249512.db2.gz SXGFANIOSBXMOU-CYBMUJFWSA-N 1 0 265.401 2.163 10 30 CEEERO C[C@@H](CC[NH+](C)C)NC(=O)C1(C#N)CCCCCC1 ZINC000044766782 175249561 /nfs/dbraw/zinc/24/95/61/175249561.db2.gz FVXKKKFSPYUCAQ-ZDUSSCGKSA-N 1 0 265.401 2.307 10 30 CEEERO CCC[C@H](C#N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044809897 175257462 /nfs/dbraw/zinc/25/74/62/175257462.db2.gz REEPAEZUXKPZNR-UONOGXRCSA-N 1 0 265.401 2.307 10 30 CEEERO CCC[C@@H](C#N)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000044809895 175257557 /nfs/dbraw/zinc/25/75/57/175257557.db2.gz REEPAEZUXKPZNR-KBPBESRZSA-N 1 0 265.401 2.307 10 30 CEEERO CCN[C@](C)(C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000045179475 175323911 /nfs/dbraw/zinc/32/39/11/175323911.db2.gz FKSQDPBVFFFEJZ-INIZCTEOSA-N 1 0 257.381 2.327 10 30 CEEERO CN[C@@](C)(C#N)CCCC[N@H+](C)CCc1ccccn1 ZINC000045306015 175355589 /nfs/dbraw/zinc/35/55/89/175355589.db2.gz HTWDBUXHGNNZBI-MRXNPFEDSA-N 1 0 274.412 2.228 10 30 CEEERO N#Cc1ccc(N2CC[C@@H]([NH2+]C3CC3)C2=O)cc1Cl ZINC000071039540 176027194 /nfs/dbraw/zinc/02/71/94/176027194.db2.gz ZBVBFWJDGHNMKF-CYBMUJFWSA-N 1 0 275.739 2.069 10 30 CEEERO CCC[NH2+][C@H]1CCCN(Cc2cccc(C#N)c2)C1=O ZINC000071041767 176028046 /nfs/dbraw/zinc/02/80/46/176028046.db2.gz AJAZCTUHHWZKBD-HNNXBMFYSA-N 1 0 271.364 2.049 10 30 CEEERO CCN(Cc1ccc(F)cc1C#N)C1CC[NH2+]CC1 ZINC000071264246 176097293 /nfs/dbraw/zinc/09/72/93/176097293.db2.gz SSAXTHVGQBNDBW-UHFFFAOYSA-N 1 0 261.344 2.271 10 30 CEEERO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1/C(N)=N/O ZINC000071266692 176100679 /nfs/dbraw/zinc/10/06/79/176100679.db2.gz ANFCWQKKKJRDHN-JTQLQIEISA-N 1 0 265.332 2.295 10 30 CEEERO C[C@@H](c1cccc(C#CC[NH3+])c1)N1CCCCCC1=O ZINC000071278328 176107829 /nfs/dbraw/zinc/10/78/29/176107829.db2.gz IETMSSGFJPQVGS-AWEZNQCLSA-N 1 0 270.376 2.460 10 30 CEEERO CC[C@H](C#N)Oc1ccc(C)cc1C[NH2+]CCOC ZINC000071407431 176156307 /nfs/dbraw/zinc/15/63/07/176156307.db2.gz VJEWYWPXTSZXKH-CQSZACIVSA-N 1 0 262.353 2.412 10 30 CEEERO C[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000078538867 177351853 /nfs/dbraw/zinc/35/18/53/177351853.db2.gz ZQJKNRHPHZIEAI-WFASDCNBSA-N 1 0 283.375 2.125 10 30 CEEERO CC(C)[C@@H](CC[NH3+])CCC(=O)NCCCCC#N ZINC000079866471 177571954 /nfs/dbraw/zinc/57/19/54/177571954.db2.gz ZFIJYEOISOBONX-CYBMUJFWSA-N 1 0 253.390 2.198 10 30 CEEERO C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000329374524 227477518 /nfs/dbraw/zinc/47/75/18/227477518.db2.gz NKQGPSQJQPMRPS-JKSUJKDBSA-N 1 0 297.402 2.454 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1F ZINC000399006251 268248612 /nfs/dbraw/zinc/24/86/12/268248612.db2.gz OUVXJJRYVUXOEN-CFVMTHIKSA-N 1 0 274.339 2.290 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000110651441 274502043 /nfs/dbraw/zinc/50/20/43/274502043.db2.gz DPHFSBZBSFDODB-NSHDSACASA-N 1 0 270.380 2.006 10 30 CEEERO N#Cc1nnc2ccccc2c1N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262343267 274931589 /nfs/dbraw/zinc/93/15/89/274931589.db2.gz UMSUKARDUOHWDL-YUTCNCBUSA-N 1 0 293.374 2.065 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H](C)CC ZINC000036096910 275384667 /nfs/dbraw/zinc/38/46/67/275384667.db2.gz YOFXFUDXVLTNBV-RDJZCZTQSA-N 1 0 275.392 2.298 10 30 CEEERO CC[NH+](CC)CC[C@H](OS(=O)(=O)CC)C(F)(F)F ZINC000003127615 276101952 /nfs/dbraw/zinc/10/19/52/276101952.db2.gz KTGOZEWSVFERIG-VIFPVBQESA-N 1 0 291.335 2.016 10 30 CEEERO CC1(C)CN(c2cccc(C#N)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000261865222 278343764 /nfs/dbraw/zinc/34/37/64/278343764.db2.gz YFGCEOPLHFOIOI-LBPRGKRZSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccc([C@H]([NH2+]C2CCCCCC2)C(N)=O)cc1 ZINC000037970575 294944307 /nfs/dbraw/zinc/94/43/07/294944307.db2.gz MAXIDCJTPDYYIF-HNNXBMFYSA-N 1 0 271.364 2.397 10 30 CEEERO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181119188 329226546 /nfs/dbraw/zinc/22/65/46/329226546.db2.gz UOHKPAFKTXWBFI-UONOGXRCSA-N 1 0 265.401 2.221 10 30 CEEERO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000186023420 329335921 /nfs/dbraw/zinc/33/59/21/329335921.db2.gz MVUDYFNNVUHOOS-AVGNSLFASA-N 1 0 266.385 2.408 10 30 CEEERO C#CCNC(N[C@H]1CC(C)(C)Oc2ccccc21)=[NH+]CC ZINC000261946929 329990280 /nfs/dbraw/zinc/99/02/80/329990280.db2.gz GDIDRPRABGQZPL-AWEZNQCLSA-N 1 0 285.391 2.477 10 30 CEEERO [NH2+]=C(N[C@@H]1COc2cccc(Cl)c21)N1CCSCC1 ZINC000262262191 330003140 /nfs/dbraw/zinc/00/31/40/330003140.db2.gz GPUJJDZOUGELLK-SNVBAGLBSA-N 1 0 297.811 2.137 10 30 CEEERO COc1ccccc1[C@]1(C)C[C@@H]1NC(=[NH2+])N(C)C1CC1 ZINC000262281977 330003630 /nfs/dbraw/zinc/00/36/30/330003630.db2.gz VUAXUMGSJSMIHO-HOCLYGCPSA-N 1 0 273.380 2.134 10 30 CEEERO CC[NH+]=C(N[C@H]1CC1(C)C)N1CCC(C(=O)OCC)CC1 ZINC000262518874 330019321 /nfs/dbraw/zinc/01/93/21/330019321.db2.gz DFHBRBABSNICCT-ZDUSSCGKSA-N 1 0 295.427 2.026 10 30 CEEERO C[C@H]1CCCN(C(=[NH2+])NCc2cnc(C3CC3)o2)C1 ZINC000263205021 330049033 /nfs/dbraw/zinc/04/90/33/330049033.db2.gz YAXRTWPATXPFBM-JTQLQIEISA-N 1 0 262.357 2.099 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])NCc2cnc(C3CC3)o2)C1 ZINC000263205022 330049057 /nfs/dbraw/zinc/04/90/57/330049057.db2.gz YAXRTWPATXPFBM-SNVBAGLBSA-N 1 0 262.357 2.099 10 30 CEEERO CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424083618 330222376 /nfs/dbraw/zinc/22/23/76/330222376.db2.gz NFBJBKDYBYOALD-ZIAGYGMSSA-N 1 0 259.353 2.275 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000068614991 520102678 /nfs/dbraw/zinc/10/26/78/520102678.db2.gz GATUIHQXWVJPFO-ULQDDVLXSA-N 1 0 294.487 2.463 10 30 CEEERO CCCC[C@@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000050890998 521006255 /nfs/dbraw/zinc/00/62/55/521006255.db2.gz HPCJYLFJXOUWFX-GFCCVEGCSA-N 1 0 276.355 2.444 10 30 CEEERO CCN(Cc1[nH+]c(NN)ccc1Cl)C[C@H](C)C#N ZINC000061638528 521451637 /nfs/dbraw/zinc/45/16/37/521451637.db2.gz URNPJCSIBCPGAP-SECBINFHSA-N 1 0 267.764 2.002 10 30 CEEERO CCC[N@H+](C)CCOc1cccc(C#CCCO)c1 ZINC000049617706 521486310 /nfs/dbraw/zinc/48/63/10/521486310.db2.gz GMGKQDNINBAVAL-UHFFFAOYSA-N 1 0 261.365 2.141 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000062746835 518284069 /nfs/dbraw/zinc/28/40/69/518284069.db2.gz RTEXCZSTYQGIDU-NEPJUHHUSA-N 1 0 292.354 2.013 10 30 CEEERO C#CCOc1cc(C[NH2+]C(C)(C)C)ccc1[N+](=O)[O-] ZINC000050517326 518319314 /nfs/dbraw/zinc/31/93/14/518319314.db2.gz RVEWDRDZUGKFSG-UHFFFAOYSA-N 1 0 262.309 2.495 10 30 CEEERO C#CCOc1ccc(C[C@H](C)[NH3+])cc1Br ZINC000062704103 518325957 /nfs/dbraw/zinc/32/59/57/518325957.db2.gz UTLPUJFXRGRFNG-VIFPVBQESA-N 1 0 268.154 2.351 10 30 CEEERO C=CCNC(=O)COc1cc(F)ccc1[C@H](C)[NH2+]CC ZINC000062746952 518894148 /nfs/dbraw/zinc/89/41/48/518894148.db2.gz QAPXYTSMXZLDET-NSHDSACASA-N 1 0 280.343 2.177 10 30 CEEERO CC(C)CN(CCC#N)Cc1[nH+]c(NN)ccc1Cl ZINC000061631271 519715003 /nfs/dbraw/zinc/71/50/03/519715003.db2.gz HNYNDMMXIGMXBG-UHFFFAOYSA-N 1 0 281.791 2.392 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616507 519739376 /nfs/dbraw/zinc/73/93/76/519739376.db2.gz JWPOIKHWCYVNSE-JYJNAYRXSA-N 1 0 281.444 2.404 10 30 CEEERO CCC[NH2+]C[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000068760853 519922450 /nfs/dbraw/zinc/92/24/50/519922450.db2.gz YVXZXXYSHQPSLB-INIZCTEOSA-N 1 0 272.396 2.307 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613178 520032377 /nfs/dbraw/zinc/03/23/77/520032377.db2.gz HIYBRZDEMFDZRU-NVXWUHKLSA-N 1 0 294.487 2.463 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC000068615911 520127953 /nfs/dbraw/zinc/12/79/53/520127953.db2.gz BQQPSKIMBLOTIQ-OWCLPIDISA-N 1 0 280.460 2.073 10 30 CEEERO CCC[C@@H](C)C(=O)NCc1cc(C#CC[NH3+])ccc1F ZINC000049586994 520613812 /nfs/dbraw/zinc/61/38/12/520613812.db2.gz VNFYDJCHHQUVSM-GFCCVEGCSA-N 1 0 276.355 2.188 10 30 CEEERO CCOC(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054824406 520930908 /nfs/dbraw/zinc/93/09/08/520930908.db2.gz FBIABURFRAODDN-OCCSQVGLSA-N 1 0 279.384 2.279 10 30 CEEERO CC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CCCO1 ZINC000049613765 521296083 /nfs/dbraw/zinc/29/60/83/521296083.db2.gz HBFJLVYUJYOBTO-SFHVURJKSA-N 1 0 287.403 2.421 10 30 CEEERO CCOC1CC[NH+]([C@H](C)C[C@](C)(C#N)NC2CC2)CC1 ZINC000068612029 521656762 /nfs/dbraw/zinc/65/67/62/521656762.db2.gz WOOQYCVZCIEFAN-CZUORRHYSA-N 1 0 279.428 2.300 10 30 CEEERO C[NH+](C)C[C@@H]1CCCN1Cc1cc(C#CCCO)cs1 ZINC000061652308 521838219 /nfs/dbraw/zinc/83/82/19/521838219.db2.gz ARFXVVJMIZBOBO-HNNXBMFYSA-N 1 0 292.448 2.008 10 30 CEEERO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000183124120 522044014 /nfs/dbraw/zinc/04/40/14/522044014.db2.gz KHXPTZXRDORCJW-GXTWGEPZSA-N 1 0 290.363 2.103 10 30 CEEERO CN(Cc1cccnc1)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609285 523417140 /nfs/dbraw/zinc/41/71/40/523417140.db2.gz UFJVFACUFQTZED-UHFFFAOYSA-N 1 0 283.350 2.163 10 30 CEEERO CC[C@@H]1CN([C@@H](C)C[C@@](C)(C#N)NC(C)C)CC[N@@H+]1C ZINC000068616395 523464742 /nfs/dbraw/zinc/46/47/42/523464742.db2.gz IIIBMSBWFZUVSU-XHSDSOJGSA-N 1 0 280.460 2.071 10 30 CEEERO CC[C@]1(C(=O)Nc2cccc(OCC#N)c2)CCC[NH2+]C1 ZINC000062855454 523545596 /nfs/dbraw/zinc/54/55/96/523545596.db2.gz DDSHKMXZFXHFJR-INIZCTEOSA-N 1 0 287.363 2.307 10 30 CEEERO CN(C(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000226459641 523883838 /nfs/dbraw/zinc/88/38/38/523883838.db2.gz GTJBQGHLHQZSAE-CQSZACIVSA-N 1 0 272.352 2.164 10 30 CEEERO COCC[NH2+]Cc1cc(Cl)ccc1O[C@@H](C)C#N ZINC000062731116 523948471 /nfs/dbraw/zinc/94/84/71/523948471.db2.gz XNTWLZOWBKJAEC-JTQLQIEISA-N 1 0 268.744 2.367 10 30 CEEERO COCC[NH2+]Cc1cccc(OC)c1OCCCC#N ZINC000062732395 523954669 /nfs/dbraw/zinc/95/46/69/523954669.db2.gz XBKCGBYRJNLBKZ-UHFFFAOYSA-N 1 0 278.352 2.114 10 30 CEEERO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](C#N)c1ccccc1 ZINC000061614946 524604657 /nfs/dbraw/zinc/60/46/57/524604657.db2.gz RYADIAUAKZVDLQ-GOEBONIOSA-N 1 0 285.391 2.284 10 30 CEEERO Cc1ccc(F)cc1C(=O)Nc1cccc(C#CC[NH3+])n1 ZINC000062666864 524846956 /nfs/dbraw/zinc/84/69/56/524846956.db2.gz WYSGIZUPSFQUDC-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO Cc1ccc([C@H](C)NC(=O)c2cncc(C#CC[NH3+])c2)s1 ZINC000049629662 525915429 /nfs/dbraw/zinc/91/54/29/525915429.db2.gz GKCNGHRDRHULHU-LBPRGKRZSA-N 1 0 299.399 2.253 10 30 CEEERO Cc1ccc(C#N)c(N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000063190644 525990859 /nfs/dbraw/zinc/99/08/59/525990859.db2.gz VESPAEZKAVAJCI-LSDHHAIUSA-N 1 0 270.380 2.373 10 30 CEEERO Cc1nn(Cc2ccc(C#N)cc2)c(C)c1C[C@@H](C)[NH3+] ZINC000062803241 526287981 /nfs/dbraw/zinc/28/79/81/526287981.db2.gz WNFJJDOLVTVHNU-LLVKDONJSA-N 1 0 268.364 2.310 10 30 CEEERO N#CCOc1ccc(NC(=O)CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000050949961 526475222 /nfs/dbraw/zinc/47/52/22/526475222.db2.gz OFDXWHNFVUPVAU-ZDUSSCGKSA-N 1 0 287.363 2.450 10 30 CEEERO N#Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000068753304 526550110 /nfs/dbraw/zinc/55/01/10/526550110.db2.gz QOKGMYPJPQAWBK-UHFFFAOYSA-N 1 0 282.303 2.194 10 30 CEEERO N#Cc1cc(COc2ccc(CC[NH3+])cc2)ccn1 ZINC000068759080 526551997 /nfs/dbraw/zinc/55/19/97/526551997.db2.gz NSEISKPEJLUFPG-UHFFFAOYSA-N 1 0 253.305 2.033 10 30 CEEERO N#Cc1cc(N)ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062976039 526563683 /nfs/dbraw/zinc/56/36/83/526563683.db2.gz KQHWDNOLRVTMPR-HNNXBMFYSA-N 1 0 270.380 2.205 10 30 CEEERO N#Cc1cc(N[C@H]2CCC[C@@H]2[NH3+])nc2ccccc12 ZINC000068771095 526573524 /nfs/dbraw/zinc/57/35/24/526573524.db2.gz OHKPJMJXOJYAPD-JSGCOSHPSA-N 1 0 252.321 2.398 10 30 CEEERO N#Cc1cccc(NC(=O)CC[C@H]2CCCC[NH2+]2)c1 ZINC000050939983 526717030 /nfs/dbraw/zinc/71/70/30/526717030.db2.gz ZVIUHGQHWZJTGQ-CYBMUJFWSA-N 1 0 257.337 2.419 10 30 CEEERO [NH3+]CC#Cc1cccc(CN2CCCCCCC2=O)c1 ZINC000049610003 527151606 /nfs/dbraw/zinc/15/16/06/527151606.db2.gz NYVLQQRBTQLAQM-UHFFFAOYSA-N 1 0 270.376 2.290 10 30 CEEERO [NH3+]CC#Cc1cccc(COC[C@@H]2CCCCO2)c1 ZINC000049610764 527153722 /nfs/dbraw/zinc/15/37/22/527153722.db2.gz KJJLVXDBLHEJDI-INIZCTEOSA-N 1 0 259.349 2.083 10 30 CEEERO CCC[C@]1(NC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCOC1 ZINC000329255741 528527482 /nfs/dbraw/zinc/52/74/82/528527482.db2.gz BKAMXUYYIZPMIW-LZWOXQAQSA-N 1 0 297.443 2.178 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccnc(C#N)c1 ZINC000094447247 628847453 /nfs/dbraw/zinc/84/74/53/628847453.db2.gz AQQZLPPSKFOMGD-SWLSCSKDSA-N 1 0 256.353 2.016 10 30 CEEERO COC(=O)[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1C ZINC000227751286 628918950 /nfs/dbraw/zinc/91/89/50/628918950.db2.gz HSFNGXIWWBSVMV-NWDGAFQWSA-N 1 0 252.358 2.057 10 30 CEEERO N#Cc1ccnc(NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000261740861 629174501 /nfs/dbraw/zinc/17/45/01/629174501.db2.gz LYEWBNCCXOZBEL-OAHLLOKOSA-N 1 0 264.332 2.252 10 30 CEEERO C#CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000070245410 641650802 /nfs/dbraw/zinc/65/08/02/641650802.db2.gz XWVFQUVSEWVUAL-UHFFFAOYSA-N 1 0 296.164 2.333 10 30 CEEERO C#CCC(C)(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000186433869 642534745 /nfs/dbraw/zinc/53/47/45/642534745.db2.gz GJCPYLHSNWGXSA-CYBMUJFWSA-N 1 0 252.402 2.128 10 30 CEEERO N#Cc1cnc2ccccc2c1NC[C@@H]1CC[NH2+]C1 ZINC000133826721 652727459 /nfs/dbraw/zinc/72/74/59/652727459.db2.gz SAXOJMAPHDNFAT-LLVKDONJSA-N 1 0 252.321 2.128 10 30 CEEERO N#Cc1cc(NC2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000135356537 652966490 /nfs/dbraw/zinc/96/64/90/652966490.db2.gz HQWAHILDDIPQCU-UHFFFAOYSA-N 1 0 260.297 2.148 10 30 CEEERO COc1ccc(C=N[n+]2cnn(-c3ccc(C)cc3)c2)cc1 ZINC000033376476 361778413 /nfs/dbraw/zinc/77/84/13/361778413.db2.gz SYEKFEXZCUYJSL-WQRHYEAKSA-N 1 0 293.350 2.359 10 30 CEEERO C[C@H](CC[NH3+])CCC(=O)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000096663009 185108980 /nfs/dbraw/zinc/10/89/80/185108980.db2.gz OJUNYQBHNSQZJZ-JTQLQIEISA-N 1 0 290.323 2.170 10 30 CEEERO C[NH2+]C[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000043409850 362144197 /nfs/dbraw/zinc/14/41/97/362144197.db2.gz JCLACQFAMFTAGT-CYBMUJFWSA-N 1 0 284.407 2.268 10 30 CEEERO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO ZINC000033374172 343417792 /nfs/dbraw/zinc/41/77/92/343417792.db2.gz NFKLPTMMLYYXEQ-KFWWJZLASA-N 1 0 286.436 2.059 10 30 CEEERO N#Cc1cc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000131789264 344360211 /nfs/dbraw/zinc/36/02/11/344360211.db2.gz MFOPDXMSBIWEFU-GFCCVEGCSA-N 1 0 260.297 2.020 10 30 CEEERO C#CC[C@H]([NH3+])c1ccccc1I ZINC000168644172 344480259 /nfs/dbraw/zinc/48/02/59/344480259.db2.gz NGBRPWNIARABIL-JTQLQIEISA-N 1 0 271.101 2.314 10 30 CEEERO C[C@@H]([NH3+])CNc1ccc(C#N)cc1Br ZINC000169225291 344481544 /nfs/dbraw/zinc/48/15/44/344481544.db2.gz VOEIMONWMBCKDM-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO N#Cc1ccc(N2CCc3ccccc3[C@H]2C[NH3+])nc1 ZINC000227725104 344556424 /nfs/dbraw/zinc/55/64/24/344556424.db2.gz HEHKAWBDSQOTSH-OAHLLOKOSA-N 1 0 264.332 2.016 10 30 CEEERO Cc1ccnc(N2CCc3ccccc3[C@@H]2C[NH3+])c1C#N ZINC000227724147 344556493 /nfs/dbraw/zinc/55/64/93/344556493.db2.gz SKFRULKLSVHGFP-INIZCTEOSA-N 1 0 278.359 2.324 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000251387599 344636091 /nfs/dbraw/zinc/63/60/91/344636091.db2.gz VJUKUWNMYQHWCW-ZIAGYGMSSA-N 1 0 277.412 2.402 10 30 CEEERO Cc1ccc(C#CC[NH3+])c(N2C(=O)c3ccccc3C2=O)c1 ZINC000306875302 344718254 /nfs/dbraw/zinc/71/82/54/344718254.db2.gz GYBBRAUTKQVPJO-UHFFFAOYSA-N 1 0 290.322 2.106 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NCCC1(C[NH3+])CC1 ZINC000404519595 344880877 /nfs/dbraw/zinc/88/08/77/344880877.db2.gz LZNUUOVMTKTHRP-UHFFFAOYSA-N 1 0 260.297 2.007 10 30 CEEERO CCC1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594427354 345626661 /nfs/dbraw/zinc/62/66/61/345626661.db2.gz IMTCRLGPOMDAPC-JXQTWKCFSA-N 1 0 265.401 2.483 10 30 CEEERO N#CCCN(C(=O)[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085357543 179030747 /nfs/dbraw/zinc/03/07/47/179030747.db2.gz CUGZAHQLKILSNN-KBPBESRZSA-N 1 0 257.337 2.061 10 30 CEEERO CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1cccc(C#N)c1 ZINC000085374673 179043633 /nfs/dbraw/zinc/04/36/33/179043633.db2.gz KIZLGXRZLQHOPM-KGLIPLIRSA-N 1 0 257.337 2.039 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000086081139 179227460 /nfs/dbraw/zinc/22/74/60/179227460.db2.gz KWKLFJHTTHVLGF-OZVIIMIRSA-N 1 0 288.366 2.300 10 30 CEEERO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#CC[NH3+])c(F)c2)[C@@H]1C ZINC000086081132 179227567 /nfs/dbraw/zinc/22/75/67/179227567.db2.gz CZMXGLUSRUEFRX-XHBSWPGZSA-N 1 0 288.366 2.300 10 30 CEEERO COC(=O)CCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037166 179221712 /nfs/dbraw/zinc/22/17/12/179221712.db2.gz JQLWXLDTYLWQGH-UHFFFAOYSA-N 1 0 272.348 2.153 10 30 CEEERO C=C(C)C(=O)N1CC[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616571167 348524131 /nfs/dbraw/zinc/52/41/31/348524131.db2.gz POMMKOQCJPUGBQ-UONOGXRCSA-N 1 0 262.328 2.045 10 30 CEEERO CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089120186 179711747 /nfs/dbraw/zinc/71/17/47/179711747.db2.gz JQYSGCPINAAWBG-HUUCEWRRSA-N 1 0 271.364 2.148 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2CO)cc1 ZINC000089505075 179806623 /nfs/dbraw/zinc/80/66/23/179806623.db2.gz VFWDJDGNKXJKNG-HOTGVXAUSA-N 1 0 258.365 2.447 10 30 CEEERO Cc1oc(NC(=O)CSC[C@H](C)C[NH3+])c(C#N)c1C ZINC000090350123 179972307 /nfs/dbraw/zinc/97/23/07/179972307.db2.gz CRHMQHZIZYQSLC-MRVPVSSYSA-N 1 0 281.381 2.035 10 30 CEEERO CC[C@@H]([NH3+])CSCC(=O)Nc1ccc(CC#N)cc1 ZINC000090357049 179975660 /nfs/dbraw/zinc/97/56/60/179975660.db2.gz BGAZDNXCXCGIQU-GFCCVEGCSA-N 1 0 277.393 2.162 10 30 CEEERO C[C@@H](OCCOc1cccc(C#CC[NH3+])c1)C(F)(F)F ZINC000090673655 180021849 /nfs/dbraw/zinc/02/18/49/180021849.db2.gz SRYHYEFHIRLLFA-LLVKDONJSA-N 1 0 287.281 2.343 10 30 CEEERO [NH3+]CC#Cc1cccc(NC(=O)[C@@H]2Cc3ccccc32)c1 ZINC000090985721 180080760 /nfs/dbraw/zinc/08/07/60/180080760.db2.gz MHEQPRKWAPFENB-QGZVFWFLSA-N 1 0 276.339 2.275 10 30 CEEERO N#Cc1cc(Cn2cc(CC[NH3+])c3ccccc32)ccn1 ZINC000091004991 180084679 /nfs/dbraw/zinc/08/46/79/180084679.db2.gz SJPIPJMVDLCAOW-UHFFFAOYSA-N 1 0 276.343 2.457 10 30 CEEERO COCC[NH2+]Cc1cn(CCCC#N)c2ncccc12 ZINC000091021217 180088739 /nfs/dbraw/zinc/08/87/39/180088739.db2.gz JMFMPPJHJIEZED-UHFFFAOYSA-N 1 0 272.352 2.076 10 30 CEEERO COc1ccc(C#CC[NH3+])c(CS[C@@H](C)CCO)c1 ZINC000091266323 180116894 /nfs/dbraw/zinc/11/68/94/180116894.db2.gz CWYLBLPHDXNDAJ-LBPRGKRZSA-N 1 0 279.405 2.010 10 30 CEEERO Cc1ccc(NC(=O)c2ccncc2C#CC[NH3+])c(F)c1 ZINC000091461639 180161732 /nfs/dbraw/zinc/16/17/32/180161732.db2.gz JJIQXINKNQAQNO-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[NH+](C)[C@H]1CCCN(Cc2ccc(C#CCCO)s2)C1 ZINC000091392444 180144879 /nfs/dbraw/zinc/14/48/79/180144879.db2.gz OUSSICYWLUONPD-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO N#Cc1c(NC(=O)C2C[NH2+]C2)sc2c1CCCCC2 ZINC000091410944 180149101 /nfs/dbraw/zinc/14/91/01/180149101.db2.gz LMRYZJMREMVEFN-UHFFFAOYSA-N 1 0 275.377 2.047 10 30 CEEERO CCN(CC)C(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000091962377 180293014 /nfs/dbraw/zinc/29/30/14/180293014.db2.gz CIKGAPOFFHXCQK-CYBMUJFWSA-N 1 0 273.380 2.109 10 30 CEEERO CC[NH2+]Cc1nc(C)ccc1OCc1cccnc1C#N ZINC000091994748 180301603 /nfs/dbraw/zinc/30/16/03/180301603.db2.gz RZQKNGDKIZOMCX-UHFFFAOYSA-N 1 0 282.347 2.345 10 30 CEEERO Cc1ccc(OCc2cc(C#N)ccc2F)c(CC[NH3+])n1 ZINC000091999600 180303753 /nfs/dbraw/zinc/30/37/53/180303753.db2.gz IMKBQONWOAJFAP-UHFFFAOYSA-N 1 0 285.322 2.481 10 30 CEEERO C=C(C)C[C@H]([NH2+]C)C1(N2CCOCC2)CCCC1 ZINC000092130259 180329972 /nfs/dbraw/zinc/32/99/72/180329972.db2.gz ZYRGEQXDVXKABZ-AWEZNQCLSA-N 1 0 252.402 2.186 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000092132732 180330719 /nfs/dbraw/zinc/33/07/19/180330719.db2.gz QLCLTQCTABLVFC-MRVPVSSYSA-N 1 0 251.717 2.006 10 30 CEEERO C[C@H]1C[NH+](Cc2ccc(F)c(C#CCO)c2)C[C@@H]1C ZINC000092087038 180321040 /nfs/dbraw/zinc/32/10/40/180321040.db2.gz MQIJZKKCAXDFJZ-STQMWFEESA-N 1 0 261.340 2.257 10 30 CEEERO CCOCCN1CC[N@H+](CCCCC#N)C[C@@H]1CC ZINC000105838582 186077537 /nfs/dbraw/zinc/07/75/37/186077537.db2.gz IMIFOLYAQSYJDA-HNNXBMFYSA-N 1 0 267.417 2.113 10 30 CEEERO N#CCc1ccc(OCc2cccc(NN)[nH+]2)cc1 ZINC000092371531 180370774 /nfs/dbraw/zinc/37/07/74/180370774.db2.gz ZEQXRXYCIGBRBH-UHFFFAOYSA-N 1 0 254.293 2.012 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2ccc3c(c2)OCCCO3)c1N ZINC000106832698 186138289 /nfs/dbraw/zinc/13/82/89/186138289.db2.gz HNFPVEZTZDMSKB-UHFFFAOYSA-N 1 0 283.331 2.235 10 30 CEEERO Cc1cccc(COc2ccc(F)cc2C#CC[NH3+])n1 ZINC000092431826 180384373 /nfs/dbraw/zinc/38/43/73/180384373.db2.gz DDFGHVGHDVVDQK-UHFFFAOYSA-N 1 0 270.307 2.418 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000130528531 365964943 /nfs/dbraw/zinc/96/49/43/365964943.db2.gz HQOOBSGCNOJYLH-LBPRGKRZSA-N 1 0 262.313 2.396 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000130536874 365966413 /nfs/dbraw/zinc/96/64/13/365966413.db2.gz VGKUDNSBAYATAG-NSHDSACASA-N 1 0 262.313 2.396 10 30 CEEERO CCCN(C(=O)c1cccc(C#N)c1)[C@@H]1CCC[NH2+]C1 ZINC000110940660 186335098 /nfs/dbraw/zinc/33/50/98/186335098.db2.gz BKMHMVSGKIQLBZ-OAHLLOKOSA-N 1 0 271.364 2.162 10 30 CEEERO CC[C@@H]1C[N@H+](CCCC[C@@](C)(C#N)NC(C)C)CCN1C ZINC000110737338 186319021 /nfs/dbraw/zinc/31/90/21/186319021.db2.gz YWNDRLUVFGEYML-SJORKVTESA-N 1 0 294.487 2.463 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@H+](C)CC1CCOCC1 ZINC000111169286 186364815 /nfs/dbraw/zinc/36/48/15/186364815.db2.gz BZVSSDDYWOUHAG-INIZCTEOSA-N 1 0 281.444 2.405 10 30 CEEERO N#Cc1ccccc1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111243087 186374882 /nfs/dbraw/zinc/37/48/82/186374882.db2.gz UUXPJLFUDVRHTL-LBPRGKRZSA-N 1 0 283.253 2.039 10 30 CEEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000111263907 186381310 /nfs/dbraw/zinc/38/13/10/186381310.db2.gz YIXGGHQRFBVURX-LDYMZIIASA-N 1 0 263.728 2.006 10 30 CEEERO C[C@@H]1CN(Cc2cc(C#N)ccc2F)C[C@@H]1[NH+](C)C ZINC000124135049 187123760 /nfs/dbraw/zinc/12/37/60/187123760.db2.gz UKIZQEXOWXIRTR-ABAIWWIYSA-N 1 0 261.344 2.079 10 30 CEEERO Cc1cc(C)c2ncc(C#N)c(N3CC[NH2+]CC3)c2c1 ZINC000072236947 363122451 /nfs/dbraw/zinc/12/24/51/363122451.db2.gz PUCDOPMQCRWPCC-UHFFFAOYSA-N 1 0 266.348 2.133 10 30 CEEERO N#Cc1cc(F)c(N[C@@H]2CCC[C@@H]2C[NH3+])c(F)c1 ZINC000133697904 283097422 /nfs/dbraw/zinc/09/74/22/283097422.db2.gz PACRULXZGYJBDX-BXKDBHETSA-N 1 0 251.280 2.376 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](C[NH3+])C1CCCC1 ZINC000236223192 283112531 /nfs/dbraw/zinc/11/25/31/283112531.db2.gz OVGFPFOVCXNTKZ-AWEZNQCLSA-N 1 0 274.324 2.396 10 30 CEEERO N#Cc1ccc(N[C@H](C[NH3+])C2CCCC2)c([N+](=O)[O-])c1 ZINC000236286286 283181055 /nfs/dbraw/zinc/18/10/55/283181055.db2.gz XUYBLPORRXHLJG-CYBMUJFWSA-N 1 0 274.324 2.396 10 30 CEEERO N#Cc1ccnc(N[C@@H]2CCC[C@@H]2C[NH3+])c1Cl ZINC000236168675 283224998 /nfs/dbraw/zinc/22/49/98/283224998.db2.gz JNYASVVIPJMLEW-PSASIEDQSA-N 1 0 250.733 2.146 10 30 CEEERO CCC[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)[NH+](C)C ZINC000135133040 366399692 /nfs/dbraw/zinc/39/96/92/366399692.db2.gz DLWBPSHYFGYREK-HNNXBMFYSA-N 1 0 273.380 2.247 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)cs1 ZINC000093437657 364181349 /nfs/dbraw/zinc/18/13/49/364181349.db2.gz LATLCJBVGHPXJS-DGCLKSJQSA-N 1 0 261.394 2.288 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NC1CC[NH2+]CC1 ZINC000094337321 364266362 /nfs/dbraw/zinc/26/63/62/364266362.db2.gz LMYANLIZKBEELG-UHFFFAOYSA-N 1 0 270.258 2.136 10 30 CEEERO C[C@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000094592179 364281802 /nfs/dbraw/zinc/28/18/02/364281802.db2.gz RRRNBCCMQQTVOJ-JQWIXIFHSA-N 1 0 274.324 2.266 10 30 CEEERO C[C@H]([NH3+])[C@H](C)Nc1cccc(Br)c1C#N ZINC000335846312 365063125 /nfs/dbraw/zinc/06/31/25/365063125.db2.gz WNKBYGWYCKSWKE-YUMQZZPRSA-N 1 0 268.158 2.468 10 30 CEEERO COc1cc(C#N)ccc1CN1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000120971316 365505439 /nfs/dbraw/zinc/50/54/39/365505439.db2.gz YLWBUWSYKURALV-XJKSGUPXSA-N 1 0 285.391 2.235 10 30 CEEERO CCOCC[N@@H+]1CCN(Cc2ccc(C#N)o2)C[C@H]1CC ZINC000120993295 365509055 /nfs/dbraw/zinc/50/90/55/365509055.db2.gz UYHLMUVKMRMFFR-CQSZACIVSA-N 1 0 291.395 2.084 10 30 CEEERO C=CCOc1cccc(NC(=O)N2CC[C@H]([NH+](C)C)C2)c1 ZINC000171081506 367473201 /nfs/dbraw/zinc/47/32/01/367473201.db2.gz JKDLMHCYPDEWHW-AWEZNQCLSA-N 1 0 289.379 2.419 10 30 CEEERO C#CCOc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1 ZINC000172807130 367821363 /nfs/dbraw/zinc/82/13/63/367821363.db2.gz YKLAVROGAMYWFQ-MRXNPFEDSA-N 1 0 298.386 2.009 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccc(F)cc1 ZINC000246106154 370909093 /nfs/dbraw/zinc/90/90/93/370909093.db2.gz MESPSCSPMJBGDY-YOEHRIQHSA-N 1 0 272.367 2.346 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000229600003 370429050 /nfs/dbraw/zinc/42/90/50/370429050.db2.gz LNKRALAECPPZGC-CABZTGNLSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1cc(N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000236221915 370585578 /nfs/dbraw/zinc/58/55/78/370585578.db2.gz NFURFSWGOPFZCA-ZDUSSCGKSA-N 1 0 274.324 2.396 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(C#N)cc1 ZINC000247255807 371083253 /nfs/dbraw/zinc/08/32/53/371083253.db2.gz NTJNDKAUAJKDBB-PBHICJAKSA-N 1 0 297.402 2.186 10 30 CEEERO C[C@H](CNc1ccc([N+](=O)[O-])c(C#N)n1)C[NH+]1CCCC1 ZINC000235470446 189828841 /nfs/dbraw/zinc/82/88/41/189828841.db2.gz YHZOOFFCEWWFHN-LLVKDONJSA-N 1 0 289.339 2.005 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000248841063 371254495 /nfs/dbraw/zinc/25/44/95/371254495.db2.gz LMMYVYXAQWBPCQ-WFASDCNBSA-N 1 0 273.355 2.366 10 30 CEEERO Cc1nc(N2C[C@H](C[NH3+])C[C@@H]2C)c(Cl)cc1C#N ZINC000261578041 371659051 /nfs/dbraw/zinc/65/90/51/371659051.db2.gz OSNQBTZZLIWWSS-WPRPVWTQSA-N 1 0 264.760 2.089 10 30 CEEERO Cc1nc(NCC[C@@H]2CC[NH2+]C2)c(Cl)cc1C#N ZINC000261582268 371660738 /nfs/dbraw/zinc/66/07/38/371660738.db2.gz RCKRPJXFLNFBRL-JTQLQIEISA-N 1 0 264.760 2.327 10 30 CEEERO CN(c1cc(C#N)c2ccccc2n1)C1CC([NH3+])C1 ZINC000385036632 375225807 /nfs/dbraw/zinc/22/58/07/375225807.db2.gz QRNMMVFGFKOCQV-UHFFFAOYSA-N 1 0 252.321 2.032 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398728918 375353615 /nfs/dbraw/zinc/35/36/15/375353615.db2.gz BGSSPICMSLBRQZ-IHRRRGAJSA-N 1 0 250.386 2.409 10 30 CEEERO Cc1cc(C#CC[NH3+])cc(N2C(=O)c3ccccc3C2=O)c1 ZINC000306724552 376553366 /nfs/dbraw/zinc/55/33/66/376553366.db2.gz IUTKUVONZIJVDI-UHFFFAOYSA-N 1 0 290.322 2.106 10 30 CEEERO C[C@@H](CC[NH3+])Nc1ccc(C#N)cc1Br ZINC000308817138 376582899 /nfs/dbraw/zinc/58/28/99/376582899.db2.gz BHNCEZAFUFJGIV-QMMMGPOBSA-N 1 0 268.158 2.470 10 30 CEEERO C#CCNC(=O)CNc1c2ccccc2[nH+]c(C)c1CC ZINC000302715109 379433257 /nfs/dbraw/zinc/43/32/57/379433257.db2.gz FNZPYOLVRBPQAK-UHFFFAOYSA-N 1 0 281.359 2.267 10 30 CEEERO C#CCNC(=O)CNc1cc(CCC)[nH+]c2ccccc12 ZINC000302736366 379440619 /nfs/dbraw/zinc/44/06/19/379440619.db2.gz OYAOUWZYEXQDJN-UHFFFAOYSA-N 1 0 281.359 2.349 10 30 CEEERO N#Cc1cccc(NC(=O)OC2CCC([NH3+])CC2)c1 ZINC000092743713 184624653 /nfs/dbraw/zinc/62/46/53/184624653.db2.gz WXOWAAZFARCSIP-UHFFFAOYSA-N 1 0 259.309 2.377 10 30 CEEERO COC[C@H]1CC[N@H+](CCCC[C@](C)(C#N)NC2CC2)C1 ZINC000081111812 177772234 /nfs/dbraw/zinc/77/22/34/177772234.db2.gz VLRAZRILDPUXJG-GOEBONIOSA-N 1 0 279.428 2.159 10 30 CEEERO CC1(C)CCCN1C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976445 184747042 /nfs/dbraw/zinc/74/70/42/184747042.db2.gz DZQKAQCTENUYCA-UHFFFAOYSA-N 1 0 262.378 2.073 10 30 CEEERO COc1ncccc1COc1ccc(F)cc1C#CC[NH3+] ZINC000095009850 184914337 /nfs/dbraw/zinc/91/43/37/184914337.db2.gz IZDROULTDGKMJH-UHFFFAOYSA-N 1 0 286.306 2.119 10 30 CEEERO C[C@H]1CC[C@@H](C[NH3+])CN1c1c(C#N)nnc2ccccc21 ZINC000085921068 135038545 /nfs/dbraw/zinc/03/85/45/135038545.db2.gz AHXUXIUCAWFWIN-RYUDHWBXSA-N 1 0 281.363 2.065 10 30 CEEERO CN(CC(=O)NC1(C#N)CCCC1)Cc1cccc(F)c1 ZINC000003419611 394454150 /nfs/dbraw/zinc/45/41/50/394454150.db2.gz SMAHMMYZDDRHNO-UHFFFAOYSA-N 1 0 289.354 2.210 10 30 CEEERO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C#N)c(C)n1 ZINC000220897862 394461764 /nfs/dbraw/zinc/46/17/64/394461764.db2.gz NLBZZZQMFRRHNW-HOCLYGCPSA-N 1 0 284.407 2.491 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000252875822 394574852 /nfs/dbraw/zinc/57/48/52/394574852.db2.gz VVWOLRRINGVJCF-FPMFFAJLSA-N 1 0 286.335 2.030 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1nc(C)cc(C)c1C#N ZINC000092631305 394661920 /nfs/dbraw/zinc/66/19/20/394661920.db2.gz YAHPXRMCKGTDCS-AWEZNQCLSA-N 1 0 272.396 2.491 10 30 CEEERO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@@H]1C[NH3+] ZINC000127856601 394853116 /nfs/dbraw/zinc/85/31/16/394853116.db2.gz LFUBINVYFAVYBV-IINYFYTJSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccc(N2CCC[NH2+]CC2)c(Br)c1 ZINC000169169876 395089203 /nfs/dbraw/zinc/08/92/03/395089203.db2.gz JTRGCJLACYKZFH-UHFFFAOYSA-N 1 0 280.169 2.120 10 30 CEEERO Cc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)c(C#N)c(C)n1 ZINC000156591980 395033387 /nfs/dbraw/zinc/03/33/87/395033387.db2.gz PBODXILEPUZZRQ-CQSZACIVSA-N 1 0 270.380 2.245 10 30 CEEERO C[C@@H]1CCN(c2nccc(C#N)c2Cl)C[C@H]1C[NH3+] ZINC000261592530 153781537 /nfs/dbraw/zinc/78/15/37/153781537.db2.gz YOQNZWFLJVBLPX-MWLCHTKSSA-N 1 0 264.760 2.028 10 30 CEEERO N#Cc1cc(Br)ccc1NC[C@H]([NH3+])C1CC1 ZINC000165308180 162345153 /nfs/dbraw/zinc/34/51/53/162345153.db2.gz LAEIHXZXBTYOHY-NSHDSACASA-N 1 0 280.169 2.470 10 30 CEEERO C[C@H]([NH3+])CCNc1ccc(C#N)cc1Br ZINC000169224389 165036314 /nfs/dbraw/zinc/03/63/14/165036314.db2.gz WBEXVFUZQJVMES-QMMMGPOBSA-N 1 0 268.158 2.470 10 30 CEEERO N#C[C@H](c1cccc2ccccc21)N1CC[NH2+]CC1 ZINC000019282841 170772950 /nfs/dbraw/zinc/77/29/50/170772950.db2.gz ZVADZBFZRJLDLF-MRXNPFEDSA-N 1 0 251.333 2.310 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019438159 170800914 /nfs/dbraw/zinc/80/09/14/170800914.db2.gz GLBYCEYTZNQMJG-RDBSUJKOSA-N 1 0 250.386 2.332 10 30 CEEERO C[NH+](C)CCN[C@@H](C#N)c1ccccc1C(F)(F)F ZINC000020176335 171042544 /nfs/dbraw/zinc/04/25/44/171042544.db2.gz MOBQQONQCPSARX-LBPRGKRZSA-N 1 0 271.286 2.421 10 30 CEEERO CC(C)Oc1cccc([C@H](C#N)NCC[NH+](C)C)c1 ZINC000020176802 171042940 /nfs/dbraw/zinc/04/29/40/171042940.db2.gz GMCPBIJHUOTXQD-HNNXBMFYSA-N 1 0 261.369 2.190 10 30 CEEERO CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037508808 173242640 /nfs/dbraw/zinc/24/26/40/173242640.db2.gz IKGIUBGQIDHEDE-UHIISALHSA-N 1 0 259.353 2.109 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1OCc1ccccn1 ZINC000037548076 173264951 /nfs/dbraw/zinc/26/49/51/173264951.db2.gz LOWORKOAFMSGEM-UHFFFAOYSA-N 1 0 256.280 2.110 10 30 CEEERO C[NH2+]C[C@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000040601097 174351293 /nfs/dbraw/zinc/35/12/93/174351293.db2.gz YOLSGZOIBOHPLQ-CYBMUJFWSA-N 1 0 261.344 2.129 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000042166623 174648402 /nfs/dbraw/zinc/64/84/02/174648402.db2.gz RGEDHGFTMXAUKF-NSHDSACASA-N 1 0 263.728 2.292 10 30 CEEERO CC(C)CN(CC[NH+](C)C)c1ccc(C#N)cc1N ZINC000042740796 174862734 /nfs/dbraw/zinc/86/27/34/174862734.db2.gz HYXVXYATXBIKSH-UHFFFAOYSA-N 1 0 260.385 2.164 10 30 CEEERO N#CCCN(Cc1cccnc1)[C@H](C[NH3+])c1ccco1 ZINC000043334578 175010443 /nfs/dbraw/zinc/01/04/43/175010443.db2.gz VMBCBDILCUYPDZ-CQSZACIVSA-N 1 0 270.336 2.090 10 30 CEEERO N#Cc1c(F)cccc1O[C@@H](C[NH3+])c1ccccn1 ZINC000043343819 175016306 /nfs/dbraw/zinc/01/63/06/175016306.db2.gz VGGIVQOHIWNWPW-AWEZNQCLSA-N 1 0 257.268 2.171 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1cccnc1)N(CCC#N)C1CC1 ZINC000043348371 175018320 /nfs/dbraw/zinc/01/83/20/175018320.db2.gz FHWJRRDNGHIEHW-GJZGRUSLSA-N 1 0 258.369 2.238 10 30 CEEERO CCCC[N@H+](CCO)Cc1sccc1C#CCCO ZINC000043678230 175089249 /nfs/dbraw/zinc/08/92/49/175089249.db2.gz KMSCETRPBMKVCY-UHFFFAOYSA-N 1 0 281.421 2.076 10 30 CEEERO CC[C@@H]1CO[C@H](C)CN1Cc1sccc1C#CC[NH3+] ZINC000043683982 175091818 /nfs/dbraw/zinc/09/18/18/175091818.db2.gz XOCYGZSFEBVBFR-TZMCWYRMSA-N 1 0 278.421 2.058 10 30 CEEERO CCC[C@H](C#N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044825885 175259447 /nfs/dbraw/zinc/25/94/47/175259447.db2.gz VUPUXEZIGFCQSA-CHWSQXEVSA-N 1 0 253.390 2.019 10 30 CEEERO CN[C@](C)(C#N)CCCN1CCC([NH+]2CCCCC2)CC1 ZINC000045313152 175357154 /nfs/dbraw/zinc/35/71/54/175357154.db2.gz NHLDIUXKJISBFR-KRWDZBQOSA-N 1 0 292.471 2.219 10 30 CEEERO COCC[NH+](CCCC[C@](C)(C#N)NC(C)C)CCOC ZINC000045318625 175358874 /nfs/dbraw/zinc/35/88/74/175358874.db2.gz LLWNCLWEFRVEEQ-MRXNPFEDSA-N 1 0 299.459 2.032 10 30 CEEERO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(C#N)cc2)C1=O ZINC000071041576 176028007 /nfs/dbraw/zinc/02/80/07/176028007.db2.gz UQJMDYBIILZUAD-OAHLLOKOSA-N 1 0 271.364 2.047 10 30 CEEERO Cc1ccc(C#N)cc1N1CCC[C@@H]([NH2+]C2CC2)C1=O ZINC000071042256 176028633 /nfs/dbraw/zinc/02/86/33/176028633.db2.gz KIMBJEDWLYURAB-CQSZACIVSA-N 1 0 269.348 2.114 10 30 CEEERO COc1ccc(-c2cc(C#N)c(NN)[nH+]c2C)cc1 ZINC000071170042 176050428 /nfs/dbraw/zinc/05/04/28/176050428.db2.gz GPQUTAZFFSYDBC-UHFFFAOYSA-N 1 0 254.293 2.223 10 30 CEEERO COCCN(CCC#N)[C@@H](c1ccc(C)s1)[C@@H](C)[NH3+] ZINC000071222030 176087416 /nfs/dbraw/zinc/08/74/16/176087416.db2.gz XJVIWTSPNUTNPA-TZMCWYRMSA-N 1 0 281.425 2.307 10 30 CEEERO COCCN(CCC#N)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000071222018 176087845 /nfs/dbraw/zinc/08/78/45/176087845.db2.gz HGLXDJWSTMQPHM-GDBMZVCRSA-N 1 0 275.396 2.245 10 30 CEEERO COCCN(CCC#N)[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000071222459 176087945 /nfs/dbraw/zinc/08/79/45/176087945.db2.gz BHTBYZIGOWIDEP-CQSZACIVSA-N 1 0 281.787 2.202 10 30 CEEERO C[C@H](Cc1cccs1)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000071273675 176105718 /nfs/dbraw/zinc/10/57/18/176105718.db2.gz LMXFRARNTWYPPM-CYBMUJFWSA-N 1 0 298.411 2.419 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccsc2)s1 ZINC000071322958 176123588 /nfs/dbraw/zinc/12/35/88/176123588.db2.gz ICTMBPJGONFXOT-UHFFFAOYSA-N 1 0 276.386 2.050 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2ccc(F)cc2C1C#N ZINC000071678386 176242744 /nfs/dbraw/zinc/24/27/44/176242744.db2.gz POOYRQOIHYMLQC-CQSZACIVSA-N 1 0 275.327 2.188 10 30 CEEERO Cc1c(C[NH2+][C@H](C)c2cccnc2)cc(C#N)n1C ZINC000072727643 176427261 /nfs/dbraw/zinc/42/72/61/176427261.db2.gz HYOYZPLDRFCJIN-LLVKDONJSA-N 1 0 254.337 2.451 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662629535 415911521 /nfs/dbraw/zinc/91/15/21/415911521.db2.gz FBCHBYNCBWZHJU-QJPTWQEYSA-N 1 0 290.329 2.199 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662631082 415912964 /nfs/dbraw/zinc/91/29/64/415912964.db2.gz PCIIHVHZTRTXNQ-ZIAGYGMSSA-N 1 0 250.386 2.191 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1 ZINC000662631081 415913195 /nfs/dbraw/zinc/91/31/95/415913195.db2.gz PCIIHVHZTRTXNQ-UONOGXRCSA-N 1 0 250.386 2.191 10 30 CEEERO C[N@@H+]1CCC[C@@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078834375 177396221 /nfs/dbraw/zinc/39/62/21/177396221.db2.gz AIZWJUXTAATYFJ-SNVBAGLBSA-N 1 0 284.285 2.478 10 30 CEEERO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1)C(=O)N(C)CCC#N ZINC000078595531 260300752 /nfs/dbraw/zinc/30/07/52/260300752.db2.gz CRTYBASBGVELIC-GHMZBOCLSA-N 1 0 295.333 2.376 10 30 CEEERO COc1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000342786911 263485123 /nfs/dbraw/zinc/48/51/23/263485123.db2.gz WDILKYLMTYYBMT-QWHCGFSZSA-N 1 0 260.337 2.356 10 30 CEEERO N#Cc1ccccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398808124 269974325 /nfs/dbraw/zinc/97/43/25/269974325.db2.gz UNCYWIKRTHMBSR-XHSDSOJGSA-N 1 0 256.349 2.151 10 30 CEEERO C[NH+]=C(NCCn1cc(C)cn1)NC1CCC(C)(C)CC1 ZINC000131779021 264381817 /nfs/dbraw/zinc/38/18/17/264381817.db2.gz OLHXZVLQFIGIAN-UHFFFAOYSA-N 1 0 291.443 2.325 10 30 CEEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1[NH3+] ZINC000235329372 274362986 /nfs/dbraw/zinc/36/29/86/274362986.db2.gz JVMDTFZGWBMRPT-KCJUWKMLSA-N 1 0 269.270 2.360 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000229600626 274419217 /nfs/dbraw/zinc/41/92/17/274419217.db2.gz BYHCJSRQHGLLPT-ONGXEEELSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000216209600 274610493 /nfs/dbraw/zinc/61/04/93/274610493.db2.gz KYVCNHRPUWIBTD-RYUDHWBXSA-N 1 0 266.348 2.280 10 30 CEEERO Cc1nc(N2C[C@H](C)[NH2+]C[C@H]2C)c(Cl)cc1C#N ZINC000261566561 293305615 /nfs/dbraw/zinc/30/56/15/293305615.db2.gz IHQJBVTVJSLTOG-DTWKUNHWSA-N 1 0 264.760 2.102 10 30 CEEERO C=CC[C@@H](CC)[NH2+]C[C@H](O)COCc1ccco1 ZINC000393854406 329090555 /nfs/dbraw/zinc/09/05/55/329090555.db2.gz YGJJJWKDYXPTHY-OLZOCXBDSA-N 1 0 253.342 2.101 10 30 CEEERO [NH2+]=C(NCC1CCC1)N[C@H]1COc2cccc(Cl)c21 ZINC000262290082 330004529 /nfs/dbraw/zinc/00/45/29/330004529.db2.gz NJYDIBVAFZCIHU-NSHDSACASA-N 1 0 279.771 2.478 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NC[C@H]1CCCS1 ZINC000262350539 330007361 /nfs/dbraw/zinc/00/73/61/330007361.db2.gz FBLCNWUFQGJELS-GFCCVEGCSA-N 1 0 279.409 2.455 10 30 CEEERO CC[NH+]=C(NCC(C)(C)SC)N[C@H]1CC1(C)C ZINC000262479169 330016285 /nfs/dbraw/zinc/01/62/85/330016285.db2.gz HSYPYEDZZWSHBF-JTQLQIEISA-N 1 0 257.447 2.482 10 30 CEEERO CC(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262522207 330022815 /nfs/dbraw/zinc/02/28/15/330022815.db2.gz JDSWJLCDLCULMS-MGPQQGTHSA-N 1 0 267.417 2.094 10 30 CEEERO COc1ccc([C@H]2C[C@H](NC3=[NH+]C[C@H](C)N3)C2)cc1F ZINC000262687015 330027250 /nfs/dbraw/zinc/02/72/50/330027250.db2.gz YTDSVAQLPSEXJV-DLOVCJGASA-N 1 0 277.343 2.018 10 30 CEEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000263207779 330049264 /nfs/dbraw/zinc/04/92/64/330049264.db2.gz YNSHZKDCFTUHDV-WCQYABFASA-N 1 0 255.431 2.175 10 30 CEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N1CCC[C@H](C(=O)OCC)C1 ZINC000263259871 330050820 /nfs/dbraw/zinc/05/08/20/330050820.db2.gz SGUJODSMQWLTCN-QWHCGFSZSA-N 1 0 295.427 2.026 10 30 CEEERO C=C(C)C[C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184376065 333127758 /nfs/dbraw/zinc/12/77/58/333127758.db2.gz ICTXKUJBXSFUGF-CABCVRRESA-N 1 0 296.455 2.140 10 30 CEEERO CC(C)[C@H](C)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049618567 519811862 /nfs/dbraw/zinc/81/18/62/519811862.db2.gz OUZYSFBSRCTRQH-HNNXBMFYSA-N 1 0 275.392 2.386 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616486 520032091 /nfs/dbraw/zinc/03/20/91/520032091.db2.gz ZSEPJFLSRDIDDK-OWCLPIDISA-N 1 0 281.444 2.405 10 30 CEEERO CCCN[C@H](C#N)CC[N@@H+]1CCc2ccccc2C1 ZINC000062369195 520059011 /nfs/dbraw/zinc/05/90/11/520059011.db2.gz JDHMTUGDIABROT-INIZCTEOSA-N 1 0 257.381 2.327 10 30 CEEERO CCC[C@H](C)C(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586816 520993211 /nfs/dbraw/zinc/99/32/11/520993211.db2.gz LSYALUZYYOORJZ-AWEZNQCLSA-N 1 0 272.392 2.391 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH2+]C ZINC000062746242 518913619 /nfs/dbraw/zinc/91/36/19/518913619.db2.gz FHHWJQRAXVKOJM-WDEREUQCSA-N 1 0 280.343 2.176 10 30 CEEERO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccnc(C#N)c1 ZINC000068754035 519342782 /nfs/dbraw/zinc/34/27/82/519342782.db2.gz NBXZISANLXORGS-OAHLLOKOSA-N 1 0 260.385 2.019 10 30 CEEERO CC(C)C[NH+]1CCN([C@@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068615132 519727376 /nfs/dbraw/zinc/72/73/76/519727376.db2.gz ATQFAWFTAOSBEJ-IRXDYDNUSA-N 1 0 294.487 2.319 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615238 519735700 /nfs/dbraw/zinc/73/57/00/519735700.db2.gz YSZIWSDAHVDJFI-ARFHVFGLSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068615984 519739359 /nfs/dbraw/zinc/73/93/59/519739359.db2.gz MCQOULXDQVYZBS-IKGGRYGDSA-N 1 0 292.471 2.215 10 30 CEEERO CC(C)OCCOCc1ccc(F)cc1C#CC[NH3+] ZINC000049610781 519768787 /nfs/dbraw/zinc/76/87/87/519768787.db2.gz LZOWBXUJXWFFEK-UHFFFAOYSA-N 1 0 265.328 2.078 10 30 CEEERO CCC[NH+]1CCC(NC(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615021 519846000 /nfs/dbraw/zinc/84/60/00/519846000.db2.gz CHKLEGRCYXTAEN-MRXNPFEDSA-N 1 0 285.391 2.284 10 30 CEEERO CCCCC(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587124 519911680 /nfs/dbraw/zinc/91/16/80/519911680.db2.gz MVNNYAKJRDTCLU-ZDUSSCGKSA-N 1 0 258.365 2.364 10 30 CEEERO CCC[NH2+]Cc1c(C)nn(Cc2ccnc(C#N)c2)c1C ZINC000068758399 519942181 /nfs/dbraw/zinc/94/21/81/519942181.db2.gz YKAUIPUXMVGVLN-UHFFFAOYSA-N 1 0 283.379 2.315 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000068615001 520224721 /nfs/dbraw/zinc/22/47/21/520224721.db2.gz AMOXSLYHKSHNFI-JYJNAYRXSA-N 1 0 280.460 2.073 10 30 CEEERO CC1(C(=O)Nc2ccc(F)c(C#N)c2)CC[NH2+]CC1 ZINC000062841462 520232758 /nfs/dbraw/zinc/23/27/58/520232758.db2.gz LKMZNDJAPOLHFU-UHFFFAOYSA-N 1 0 261.300 2.026 10 30 CEEERO CC[N@@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CCCO1 ZINC000049613767 521296815 /nfs/dbraw/zinc/29/68/15/521296815.db2.gz HBFJLVYUJYOBTO-GOSISDBHSA-N 1 0 287.403 2.421 10 30 CEEERO CC[C@@H](C)[C@@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000049105815 522294585 /nfs/dbraw/zinc/29/45/85/522294585.db2.gz INEYBSSHSHRKFS-VXGBXAGGSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@H](NC(=O)c1cncc(C#CC[NH3+])c1)c1cccs1 ZINC000049629697 522549330 /nfs/dbraw/zinc/54/93/30/522549330.db2.gz HNWCABQENBHVOS-AWEZNQCLSA-N 1 0 299.399 2.334 10 30 CEEERO CC[C@@H](NC(=O)c1ccc(F)cc1C#CC[NH3+])C(C)C ZINC000049148552 522785635 /nfs/dbraw/zinc/78/56/35/522785635.db2.gz LDVACURKOQPFPA-OAHLLOKOSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@@H](NC(=O)c1ccccc1C#CC[NH3+])C(C)C ZINC000049148548 522794362 /nfs/dbraw/zinc/79/43/62/522794362.db2.gz ICNXWRKVQDCYDK-OAHLLOKOSA-N 1 0 258.365 2.161 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])cc1)C(=O)C1CCCC1 ZINC000049586597 523202635 /nfs/dbraw/zinc/20/26/35/523202635.db2.gz UNUQLRCIQXPYGH-UHFFFAOYSA-N 1 0 270.376 2.145 10 30 CEEERO C[N@@H+](Cc1ccc(F)c(C#CCCO)c1)C[C@H]1CCCO1 ZINC000049614167 523238571 /nfs/dbraw/zinc/23/85/71/523238571.db2.gz FXDMNVCNALUEBZ-MRXNPFEDSA-N 1 0 291.366 2.170 10 30 CEEERO C[N@H+](Cc1ccc(F)c(C#CCO)c1)[C@@H]1CCSC1 ZINC000049617839 523240087 /nfs/dbraw/zinc/24/00/87/523240087.db2.gz AKUHVDAWEGZUSV-CQSZACIVSA-N 1 0 279.380 2.107 10 30 CEEERO CN(Cc1cccnc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609288 523418813 /nfs/dbraw/zinc/41/88/13/523418813.db2.gz MIOORISPKUHYHB-UHFFFAOYSA-N 1 0 283.350 2.163 10 30 CEEERO C[N@H+](Cc1ccoc1)Cc1ccc(C#CCO)cc1 ZINC000049614322 523476551 /nfs/dbraw/zinc/47/65/51/523476551.db2.gz KHSRXUDNESMWKD-UHFFFAOYSA-N 1 0 255.317 2.255 10 30 CEEERO CN(c1ccc(C(F)(F)F)c(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000164084725 523636789 /nfs/dbraw/zinc/63/67/89/523636789.db2.gz VRTPBLLXBOQKJJ-NSHDSACASA-N 1 0 269.270 2.375 10 30 CEEERO C[N@@H+]1CC[C@@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000068770227 523967697 /nfs/dbraw/zinc/96/76/97/523967697.db2.gz XBQDOHIKQIFHNF-GFCCVEGCSA-N 1 0 252.321 2.222 10 30 CEEERO COc1ccc(C[N@@H+]2CCC[C@@H]2C)cc1C#CCCO ZINC000049615204 524028085 /nfs/dbraw/zinc/02/80/85/524028085.db2.gz WCHPQVSFSWRHAV-AWEZNQCLSA-N 1 0 273.376 2.413 10 30 CEEERO Cc1cc(C(=O)NCc2cccc(C#CC[NH3+])c2)c(C)o1 ZINC000049586546 524106198 /nfs/dbraw/zinc/10/61/98/524106198.db2.gz VHUFZDCILPBKIO-UHFFFAOYSA-N 1 0 282.343 2.137 10 30 CEEERO Cc1cccc(NC(=O)c2cncc(C#CC[NH3+])c2)c1C ZINC000049629386 524664762 /nfs/dbraw/zinc/66/47/62/524664762.db2.gz ROJLRBXCPBOGGI-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO C[C@H](NC(=O)C1CCCC1)c1ccc(C#CC[NH3+])cc1 ZINC000049586741 524910188 /nfs/dbraw/zinc/91/01/88/524910188.db2.gz LNADSFUWLBDQPU-ZDUSSCGKSA-N 1 0 270.376 2.364 10 30 CEEERO Cc1cc(SCc2sccc2C#CC[NH3+])n(C)n1 ZINC000052311576 525438312 /nfs/dbraw/zinc/43/83/12/525438312.db2.gz CWWQQGIHFQKOHN-UHFFFAOYSA-N 1 0 277.418 2.393 10 30 CEEERO N#Cc1ccccc1OCc1[nH+]c(NN)ccc1Cl ZINC000061639921 526747915 /nfs/dbraw/zinc/74/79/15/526747915.db2.gz MCIULNIEXKCZDL-UHFFFAOYSA-N 1 0 274.711 2.471 10 30 CEEERO N#Cc1ncccc1C[NH2+]CCc1ccccc1F ZINC000061656984 526789682 /nfs/dbraw/zinc/78/96/82/526789682.db2.gz YILHRYCPTBZSPB-UHFFFAOYSA-N 1 0 255.296 2.425 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccc(CO)cc2)c(F)c1 ZINC000049611147 527150225 /nfs/dbraw/zinc/15/02/25/527150225.db2.gz OSONYZDHRBMTMS-UHFFFAOYSA-N 1 0 285.318 2.207 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)c2ccc(Cl)o2)c1 ZINC000049586471 527151444 /nfs/dbraw/zinc/15/14/44/527151444.db2.gz REONRDRQUIVILS-UHFFFAOYSA-N 1 0 288.734 2.173 10 30 CEEERO [NH3+]CC#Cc1ccccc1COc1ccc([N+](=O)[O-])cc1 ZINC000049611123 527154739 /nfs/dbraw/zinc/15/47/39/527154739.db2.gz RDZIJSRDAGHNRQ-UHFFFAOYSA-N 1 0 282.299 2.484 10 30 CEEERO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000166227231 624654161 /nfs/dbraw/zinc/65/41/61/624654161.db2.gz NUKLFQHVSUXXFA-SWLSCSKDSA-N 1 0 272.348 2.108 10 30 CEEERO C[C@H]1CCCN(c2nc(Cl)c(C#N)s2)[C@@H]1C[NH3+] ZINC000235646981 624757302 /nfs/dbraw/zinc/75/73/02/624757302.db2.gz HLNBFVQEKNWODO-JGVFFNPUSA-N 1 0 270.789 2.232 10 30 CEEERO C[C@H]1[C@H]([NH3+])CCN1c1nc2ccccc2cc1C#N ZINC000311927040 627835243 /nfs/dbraw/zinc/83/52/43/627835243.db2.gz FRBKODPMAGQYKI-GXFFZTMASA-N 1 0 252.321 2.032 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261723758 629158032 /nfs/dbraw/zinc/15/80/32/629158032.db2.gz KYWSUXZWGJRTSK-VQJWOFKYSA-N 1 0 291.439 2.298 10 30 CEEERO Cc1cc(C#N)nc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000231898785 639884633 /nfs/dbraw/zinc/88/46/33/639884633.db2.gz DGNSDLMEOWWANI-CYBMUJFWSA-N 1 0 261.373 2.045 10 30 CEEERO C[C@@]1(CNc2ccc([N+](=O)[O-])c(C#N)c2)CCC[NH2+]C1 ZINC000129335018 651918593 /nfs/dbraw/zinc/91/85/93/651918593.db2.gz VVKMKXBJHSCUFW-CQSZACIVSA-N 1 0 274.324 2.268 10 30 CEEERO N#Cc1cc(F)c(N[C@@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000133698338 652705958 /nfs/dbraw/zinc/70/59/58/652705958.db2.gz PACRULXZGYJBDX-JOYOIKCWSA-N 1 0 251.280 2.376 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000216211553 652969712 /nfs/dbraw/zinc/96/97/12/652969712.db2.gz VLNIVLUZHKHKHT-PSASIEDQSA-N 1 0 251.280 2.010 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(NC2CCC([NH3+])CC2)c1 ZINC000124693945 187149730 /nfs/dbraw/zinc/14/97/30/187149730.db2.gz NSNJSQDHLIBVMA-UHFFFAOYSA-N 1 0 260.297 2.148 10 30 CEEERO C[C@H](Nc1cc(C#N)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000124862979 187158604 /nfs/dbraw/zinc/15/86/04/187158604.db2.gz YTWCNRVCYKWBAJ-CMPLNLGQSA-N 1 0 274.324 2.266 10 30 CEEERO C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000124671283 365657449 /nfs/dbraw/zinc/65/74/49/365657449.db2.gz GEPRRZSSGZIEEB-QWHCGFSZSA-N 1 0 289.379 2.046 10 30 CEEERO C[C@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000127846068 187336780 /nfs/dbraw/zinc/33/67/80/187336780.db2.gz GAZLGBSHBMRHBZ-QWRGUYRKSA-N 1 0 274.324 2.266 10 30 CEEERO CCCN(c1ccc([N+](=O)[O-])c(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000127850970 187337163 /nfs/dbraw/zinc/33/71/63/187337163.db2.gz WSNVLFFQSMZQKC-ZDUSSCGKSA-N 1 0 274.324 2.045 10 30 CEEERO N#Cc1cccc(NC[C@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000126617972 344325567 /nfs/dbraw/zinc/32/55/67/344325567.db2.gz PGXFNXKXQUKLKI-LLVKDONJSA-N 1 0 260.297 2.020 10 30 CEEERO C[NH+](C)CCCOc1ccc(CC(=O)CC#N)cc1 ZINC000143919390 344406783 /nfs/dbraw/zinc/40/67/83/344406783.db2.gz UNYUHKPMIAQVSS-UHFFFAOYSA-N 1 0 260.337 2.042 10 30 CEEERO CN(Cc1ccc(C#N)c(F)c1)C[C@H]1CC[N@H+](C)C1 ZINC000403996244 529983468 /nfs/dbraw/zinc/98/34/68/529983468.db2.gz LGPKKFFIUKVULD-ZDUSSCGKSA-N 1 0 261.344 2.081 10 30 CEEERO CCC[C@H]1C[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000233406777 344581916 /nfs/dbraw/zinc/58/19/16/344581916.db2.gz TZGJBBXLYPKZLJ-ZFWWWQNUSA-N 1 0 292.404 2.110 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[NH2+]C1 ZINC000052093753 362464840 /nfs/dbraw/zinc/46/48/40/362464840.db2.gz DFDWFVTUSWIGCT-JTQLQIEISA-N 1 0 255.243 2.351 10 30 CEEERO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC[C@H]1[NH3+] ZINC000252704174 344641390 /nfs/dbraw/zinc/64/13/90/344641390.db2.gz MJEYUFNUOCPTNX-ZWNOBZJWSA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1ccc(C[NH2+]C[C@@H]2CCc3nccn3C2)s1 ZINC000328636581 344757134 /nfs/dbraw/zinc/75/71/34/344757134.db2.gz OCVNZHUFICVLBE-NSHDSACASA-N 1 0 272.377 2.168 10 30 CEEERO C[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)c1cc(F)ccc1F ZINC000591595237 345268188 /nfs/dbraw/zinc/26/81/88/345268188.db2.gz VYDIVVDSKSUHBN-NOZJJQNGSA-N 1 0 281.306 2.163 10 30 CEEERO N#Cc1nnc2ccccc2c1NCC1([NH3+])CCCC1 ZINC000594694195 345673842 /nfs/dbraw/zinc/67/38/42/345673842.db2.gz FAJSCQGUNSFFJC-UHFFFAOYSA-N 1 0 267.336 2.185 10 30 CEEERO N#Cc1cnccc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594698092 345674270 /nfs/dbraw/zinc/67/42/70/345674270.db2.gz VPKCGKONKPMFAJ-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000312119133 201903395 /nfs/dbraw/zinc/90/33/95/201903395.db2.gz TUFKVAKAXPUDHW-SNVBAGLBSA-N 1 0 262.313 2.396 10 30 CEEERO N#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085362982 179034631 /nfs/dbraw/zinc/03/46/31/179034631.db2.gz FRZWXFQJOIPULC-ZIAGYGMSSA-N 1 0 273.336 2.045 10 30 CEEERO N#Cc1c(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])sc2c1CCC2 ZINC000085371700 179041646 /nfs/dbraw/zinc/04/16/46/179041646.db2.gz FHBRMDXZBLBSNI-KOLCDFICSA-N 1 0 275.377 2.174 10 30 CEEERO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C#N)c2)C[NH2+]1 ZINC000600955021 346716305 /nfs/dbraw/zinc/71/63/05/346716305.db2.gz IGCFCKIQZZGUMQ-SKDRFNHKSA-N 1 0 260.297 2.019 10 30 CEEERO C[NH+](C)CCCCNc1c(C#N)nnc2ccccc21 ZINC000085920381 179199345 /nfs/dbraw/zinc/19/93/45/179199345.db2.gz GFQBCBWJJQRSGZ-UHFFFAOYSA-N 1 0 269.352 2.255 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@@H]1C[NH+]2CCC1CC2 ZINC000085919877 179199354 /nfs/dbraw/zinc/19/93/54/179199354.db2.gz QGIZVPBTTDKIHE-OAHLLOKOSA-N 1 0 279.347 2.008 10 30 CEEERO N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000085984777 179211484 /nfs/dbraw/zinc/21/14/84/179211484.db2.gz NAKLPZZGEVMZCQ-WFASDCNBSA-N 1 0 262.328 2.338 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000086081131 179227723 /nfs/dbraw/zinc/22/77/23/179227723.db2.gz CZMXGLUSRUEFRX-OZVIIMIRSA-N 1 0 288.366 2.300 10 30 CEEERO CC[C@@H]1CN(C(=O)C#Cc2ccccc2)[C@H](CC)C[NH2+]1 ZINC000086447906 179295923 /nfs/dbraw/zinc/29/59/23/179295923.db2.gz JCYPNOORVQDPLH-HZPDHXFCSA-N 1 0 270.376 2.027 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccc(Br)s1 ZINC000086473575 179300563 /nfs/dbraw/zinc/30/05/63/179300563.db2.gz LGBBXPQKYJZPTJ-SSDOTTSWSA-N 1 0 286.198 2.368 10 30 CEEERO CCCn1c2ccc(C#N)cc2nc1CC[NH+](C)C ZINC000086635963 179315199 /nfs/dbraw/zinc/31/51/99/179315199.db2.gz QIHLURMLLOYYMB-UHFFFAOYSA-N 1 0 256.353 2.422 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2CO)c1 ZINC000089494438 179803675 /nfs/dbraw/zinc/80/36/75/179803675.db2.gz IHAJHRCBIFPLFA-LSDHHAIUSA-N 1 0 274.364 2.087 10 30 CEEERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1cc(C#N)c2ccccc2n1 ZINC000090328461 179960201 /nfs/dbraw/zinc/96/02/01/179960201.db2.gz OAPDZPBMOCFDED-KYOSRNDESA-N 1 0 278.359 2.151 10 30 CEEERO CC[C@@H]([NH3+])Cc1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091006132 180084703 /nfs/dbraw/zinc/08/47/03/180084703.db2.gz SRJHWFJPDHYPGS-CQSZACIVSA-N 1 0 254.337 2.083 10 30 CEEERO CC[C@H]([NH3+])[C@](O)(c1cc(F)cc(C#N)c1)C(F)(F)F ZINC000091332089 180136009 /nfs/dbraw/zinc/13/60/09/180136009.db2.gz FPOGQEZJUCATSL-WDEREUQCSA-N 1 0 276.233 2.185 10 30 CEEERO CC1CCC(N(C)C(=O)c2ccncc2C#CC[NH3+])CC1 ZINC000091461992 180161514 /nfs/dbraw/zinc/16/15/14/180161514.db2.gz QVGRKMJMMUGKPI-UHFFFAOYSA-N 1 0 285.391 2.043 10 30 CEEERO C[C@@H]1CCCCC[C@@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091463677 180162439 /nfs/dbraw/zinc/16/24/39/180162439.db2.gz VKLTUHGANNJYQX-CJNGLKHVSA-N 1 0 285.391 2.090 10 30 CEEERO CSC1(C#N)CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000091471817 180165800 /nfs/dbraw/zinc/16/58/00/180165800.db2.gz OBDRRSOEUJHSGJ-RYUDHWBXSA-N 1 0 254.399 2.011 10 30 CEEERO C=C(CC)C[C@@H]([NH2+]C)[C@](C)(CC)N1CCOCC1 ZINC000091612644 180207072 /nfs/dbraw/zinc/20/70/72/180207072.db2.gz NGKWRLYHVRFGET-CABCVRRESA-N 1 0 254.418 2.432 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091543522 180185279 /nfs/dbraw/zinc/18/52/79/180185279.db2.gz BADVUWOTQQGUAG-LDYMZIIASA-N 1 0 263.728 2.278 10 30 CEEERO C=C(C)[C@@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000092128405 180328854 /nfs/dbraw/zinc/32/88/54/180328854.db2.gz SPIUMRMABLITND-CQSZACIVSA-N 1 0 252.402 2.186 10 30 CEEERO C=C(C)C[C@H]([NH2+]CCC)[C@H]1CN2CCC[C@@H]2CO1 ZINC000092130328 180330026 /nfs/dbraw/zinc/33/00/26/180330026.db2.gz OASHJGPMZCFNAV-QLFBSQMISA-N 1 0 252.402 2.184 10 30 CEEERO COc1ccc(C#CCO)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000092087071 180321116 /nfs/dbraw/zinc/32/11/16/180321116.db2.gz FWMYASOORHVGGQ-KBPBESRZSA-N 1 0 273.376 2.127 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1C(F)(F)F ZINC000092208402 180344905 /nfs/dbraw/zinc/34/49/05/180344905.db2.gz JQGMAYMIJQEXRE-WCBMZHEXSA-N 1 0 295.264 2.419 10 30 CEEERO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000105882896 186083565 /nfs/dbraw/zinc/08/35/65/186083565.db2.gz FVZGTPSJLJNASG-CQSZACIVSA-N 1 0 281.363 2.062 10 30 CEEERO C=C(C)C[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000105916759 186089107 /nfs/dbraw/zinc/08/91/07/186089107.db2.gz KXZARDDFXNETEB-UHFFFAOYSA-N 1 0 276.428 2.332 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1cccc(OC(C)C)c1 ZINC000092473970 180394152 /nfs/dbraw/zinc/39/41/52/180394152.db2.gz CZJFHAQOZIUOSR-ZDUSSCGKSA-N 1 0 276.380 2.427 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000130537104 365966048 /nfs/dbraw/zinc/96/60/48/365966048.db2.gz VGKUDNSBAYATAG-LLVKDONJSA-N 1 0 262.313 2.396 10 30 CEEERO C=CCNC(=O)COc1cc(C)ccc1[C@H](C)[NH2+]CC ZINC000110960543 186336818 /nfs/dbraw/zinc/33/68/18/186336818.db2.gz IAJGRNYHPRLLCA-ZDUSSCGKSA-N 1 0 276.380 2.347 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737525 186319152 /nfs/dbraw/zinc/31/91/52/186319152.db2.gz AUVAOQYHCWEULD-KRWDZBQOSA-N 1 0 294.487 2.463 10 30 CEEERO C[N@H+](CCC[C@@](C)(C#N)NC1CC1)CC1CCOCC1 ZINC000111169217 186364897 /nfs/dbraw/zinc/36/48/97/186364897.db2.gz LDKBADQLBVHZSW-INIZCTEOSA-N 1 0 279.428 2.159 10 30 CEEERO Cc1sc(NC(=O)[C@H]2C[NH2+]C[C@H]2C)c(C#N)c1C ZINC000111271639 186384367 /nfs/dbraw/zinc/38/43/67/186384367.db2.gz BNSIAKHFGGLPNQ-HQJQHLMTSA-N 1 0 263.366 2.031 10 30 CEEERO C[NH2+]Cc1ccc(OCc2ccnc(C#N)c2)cc1 ZINC000111833839 186461590 /nfs/dbraw/zinc/46/15/90/186461590.db2.gz BJZUJFICMKKZMW-UHFFFAOYSA-N 1 0 253.305 2.252 10 30 CEEERO C=CC1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000132394037 366140429 /nfs/dbraw/zinc/14/04/29/366140429.db2.gz SFIHESHFRUGQFF-HIFRSBDPSA-N 1 0 279.428 2.323 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1CCC[NH2+]CC1 ZINC000036926864 283092223 /nfs/dbraw/zinc/09/22/23/283092223.db2.gz DWCPATMNOGNQKL-UHFFFAOYSA-N 1 0 269.270 2.377 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](C[NH3+])C1 ZINC000094337356 283136106 /nfs/dbraw/zinc/13/61/06/283136106.db2.gz HAUVVCBCSYKQST-VIFPVBQESA-N 1 0 284.285 2.147 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CCC(C[NH3+])CC1 ZINC000044514855 283242001 /nfs/dbraw/zinc/24/20/01/283242001.db2.gz PGABHGWWXNPLEI-UHFFFAOYSA-N 1 0 266.348 2.282 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000092630826 364089235 /nfs/dbraw/zinc/08/92/35/364089235.db2.gz XNJRUHAYRGHMNQ-INIZCTEOSA-N 1 0 285.391 2.043 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1cccc(C#N)c1 ZINC000092628644 364089767 /nfs/dbraw/zinc/08/97/67/364089767.db2.gz TWOPDMBKOQEXIU-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccc(C#N)cc1 ZINC000092628695 364090908 /nfs/dbraw/zinc/09/09/08/364090908.db2.gz LWZFSKRULDSSFA-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO N#Cc1ccc(C[C@@H]2COCC[C@H]2[NH2+]C2CC2)cc1 ZINC000095077178 364332930 /nfs/dbraw/zinc/33/29/30/364332930.db2.gz YYFWDDKGLBUXEX-GDBMZVCRSA-N 1 0 256.349 2.258 10 30 CEEERO CC(C)C[C@@H](C[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592249 364281910 /nfs/dbraw/zinc/28/19/10/364281910.db2.gz RDEXGAZXAJTASD-LBPRGKRZSA-N 1 0 262.313 2.252 10 30 CEEERO O=[N+]([O-])c1ccc(OCCCC[NH2+]CCS)cc1 ZINC000096328021 364421381 /nfs/dbraw/zinc/42/13/81/364421381.db2.gz CCPMTEAQQZSRBE-UHFFFAOYSA-N 1 0 270.354 2.273 10 30 CEEERO C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000116042664 365033745 /nfs/dbraw/zinc/03/37/45/365033745.db2.gz YJILREZKLHWMMA-HNNXBMFYSA-N 1 0 286.375 2.288 10 30 CEEERO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000120989451 365506591 /nfs/dbraw/zinc/50/65/91/365506591.db2.gz LJDBWESIGCUPOT-AWEZNQCLSA-N 1 0 296.374 2.290 10 30 CEEERO Cc1nnc(NCc2ccc(C[NH3+])cc2)c(C#N)c1C ZINC000159597548 366931321 /nfs/dbraw/zinc/93/13/21/366931321.db2.gz BFQZFMHMQQWRDT-UHFFFAOYSA-N 1 0 267.336 2.036 10 30 CEEERO CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(F)c2C#N)[C@@H](C)C1 ZINC000188530421 369371810 /nfs/dbraw/zinc/37/18/10/369371810.db2.gz WQXFPBPYMNEYGT-NHYWBVRUSA-N 1 0 289.354 2.156 10 30 CEEERO CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)CC2 ZINC000193089075 369890826 /nfs/dbraw/zinc/89/08/26/369890826.db2.gz OJNJSICEXBFZDH-BFHYXJOUSA-N 1 0 287.411 2.388 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCOc1ccc(C#N)cc1 ZINC000247017130 371047432 /nfs/dbraw/zinc/04/74/32/371047432.db2.gz FYVQRPXPWCUYSA-WBVHZDCISA-N 1 0 299.418 2.496 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(C#N)c1 ZINC000247193635 371075372 /nfs/dbraw/zinc/07/53/72/371075372.db2.gz LJRVQSLCPMNNNN-BBRMVZONSA-N 1 0 255.365 2.227 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000247322745 371092979 /nfs/dbraw/zinc/09/29/79/371092979.db2.gz OUCAICZZANWXFI-BBRMVZONSA-N 1 0 283.375 2.061 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000247648377 371131926 /nfs/dbraw/zinc/13/19/26/371131926.db2.gz WHMJTNIACLEYLW-GJZGRUSLSA-N 1 0 277.412 2.410 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)o1 ZINC000248401366 371187588 /nfs/dbraw/zinc/18/75/88/371187588.db2.gz RWOWPHGAZYQMIF-STQMWFEESA-N 1 0 259.353 2.210 10 30 CEEERO C[C@@H]([NH2+]C[C@H](C)C#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400464391 375372135 /nfs/dbraw/zinc/37/21/35/375372135.db2.gz VQEMPZVOZPOCPL-UPJWGTAASA-N 1 0 281.400 2.381 10 30 CEEERO COc1ccc(C[NH2+]C[C@H](O)C(C)(C)C)cc1C#N ZINC000266173781 190237169 /nfs/dbraw/zinc/23/71/69/190237169.db2.gz DGPWAQDTAPOFKF-AWEZNQCLSA-N 1 0 262.353 2.063 10 30 CEEERO CCC[N@H+](CCN(C)C)[C@H]1CCC[C@@](C#N)(NCC)C1 ZINC000093743533 184711567 /nfs/dbraw/zinc/71/15/67/184711567.db2.gz QBGIYOIECWMQIQ-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NCC[C@H]1CC[NH2+]C1 ZINC000094337446 184783372 /nfs/dbraw/zinc/78/33/72/184783372.db2.gz ZIYINKSNBZFJIH-SECBINFHSA-N 1 0 284.285 2.384 10 30 CEEERO Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C)sc1C#CC[NH3+] ZINC000094536793 184814563 /nfs/dbraw/zinc/81/45/63/184814563.db2.gz NJJXFBXOMXPFOX-JQWIXIFHSA-N 1 0 276.405 2.285 10 30 CEEERO Cc1ncccc1C(=O)Nc1ccc(F)cc1C#CC[NH3+] ZINC000094649393 184834771 /nfs/dbraw/zinc/83/47/71/184834771.db2.gz LGYSLKWOBBPIFA-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CC(C)C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000094697677 184841962 /nfs/dbraw/zinc/84/19/62/184841962.db2.gz YYZACISEXOHPCZ-WFASDCNBSA-N 1 0 273.380 2.356 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccccc1F)n1ccnc1C#N ZINC000094936753 184897277 /nfs/dbraw/zinc/89/72/77/184897277.db2.gz SNKUCUBMTHOQBP-OCCSQVGLSA-N 1 0 258.300 2.221 10 30 CEEERO Cc1nnc(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c(C#N)c1C ZINC000083704234 135030824 /nfs/dbraw/zinc/03/08/24/135030824.db2.gz YVWJBDMUJFSTFN-SMDDNHRTSA-N 1 0 285.395 2.028 10 30 CEEERO N#Cc1ccc(N2CCC[NH2+]CC2)cc1C(F)(F)F ZINC000036374501 394494230 /nfs/dbraw/zinc/49/42/30/394494230.db2.gz LRNRFEJCMGXYIY-UHFFFAOYSA-N 1 0 269.270 2.377 10 30 CEEERO N#Cc1cc(N2CCC[C@@H]([NH3+])C2)nc2ccccc12 ZINC000068770818 394583122 /nfs/dbraw/zinc/58/31/22/394583122.db2.gz XSXJDZQULQHDOB-GFCCVEGCSA-N 1 0 252.321 2.034 10 30 CEEERO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000248721722 394546306 /nfs/dbraw/zinc/54/63/06/394546306.db2.gz FTQOYNRYVSIILO-HZPDHXFCSA-N 1 0 266.429 2.385 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@@H]1[NH+](C)C ZINC000123984844 394834569 /nfs/dbraw/zinc/83/45/69/394834569.db2.gz CFLIIVZKYOUAKY-WBMJQRKESA-N 1 0 280.375 2.493 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CC#Cc1ccc(F)cc1 ZINC000154734005 395024273 /nfs/dbraw/zinc/02/42/73/395024273.db2.gz MESPSCSPMJBGDY-WMLDXEAASA-N 1 0 272.367 2.346 10 30 CEEERO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000192027015 395370536 /nfs/dbraw/zinc/37/05/36/395370536.db2.gz ZNRHDCNXKGFPEI-QGZVFWFLSA-N 1 0 280.375 2.042 10 30 CEEERO C[C@@H]([NH3+])CCNc1cccc(Br)c1C#N ZINC000165078463 162340474 /nfs/dbraw/zinc/34/04/74/162340474.db2.gz JCZFDLFEDOAGFZ-MRVPVSSYSA-N 1 0 268.158 2.470 10 30 CEEERO N#Cc1c(Br)cccc1N1CC[C@@H](C[NH3+])C1 ZINC000165075588 162340982 /nfs/dbraw/zinc/34/09/82/162340982.db2.gz DAFSKMMFSZDNGK-VIFPVBQESA-N 1 0 280.169 2.106 10 30 CEEERO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(Br)cc1C#N ZINC000261537881 162540483 /nfs/dbraw/zinc/54/04/83/162540483.db2.gz WNWOTWGSYJPPSZ-HTQZYQBOSA-N 1 0 268.158 2.468 10 30 CEEERO C[NH2+]C[C@@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000169067369 165034527 /nfs/dbraw/zinc/03/45/27/165034527.db2.gz LJZIYCQJMSUWOU-JTQLQIEISA-N 1 0 294.196 2.366 10 30 CEEERO CCc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)CC2 ZINC000181938386 165359527 /nfs/dbraw/zinc/35/95/27/165359527.db2.gz VRQGHPIZSGWMHJ-WFASDCNBSA-N 1 0 295.390 2.378 10 30 CEEERO O=C(NCCC[NH+]1CCCCC1)c1ccc(/C=N/O)cc1 ZINC000006888993 170253313 /nfs/dbraw/zinc/25/33/13/170253313.db2.gz RWHOGLVQNWCTNZ-QGOAFFKASA-N 1 0 289.379 2.101 10 30 CEEERO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2/C(N)=N/O)C1 ZINC000019478341 170808417 /nfs/dbraw/zinc/80/84/17/170808417.db2.gz XSYNJKJISSBYGA-RYUDHWBXSA-N 1 0 261.369 2.259 10 30 CEEERO C[NH+](C)CCN[C@H](C#N)c1ccccc1C(F)(F)F ZINC000020176336 171042298 /nfs/dbraw/zinc/04/22/98/171042298.db2.gz MOBQQONQCPSARX-GFCCVEGCSA-N 1 0 271.286 2.421 10 30 CEEERO Cc1ccc(C(=O)Nc2ncc(C#CC[NH3+])s2)s1 ZINC000037550750 173269026 /nfs/dbraw/zinc/26/90/26/173269026.db2.gz BWSKSLYDDTVODP-UHFFFAOYSA-N 1 0 277.374 2.076 10 30 CEEERO CCN1CCC[C@@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC000040502744 174299119 /nfs/dbraw/zinc/29/91/19/174299119.db2.gz WPJDGEVNGVSHEX-OAHLLOKOSA-N 1 0 273.380 2.163 10 30 CEEERO C#CCCOc1cc2c(cc1C[C@H]([NH3+])CC)OCO2 ZINC000042878776 174901664 /nfs/dbraw/zinc/90/16/64/174901664.db2.gz HGCDUILVWBGRPY-GFCCVEGCSA-N 1 0 261.321 2.097 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(CC)CCO1 ZINC000657942987 415136893 /nfs/dbraw/zinc/13/68/93/415136893.db2.gz HWAQPFDINJUDIF-BZUAXINKSA-N 1 0 266.429 2.432 10 30 CEEERO N#Cc1c(F)cccc1O[C@H](C[NH3+])c1ccccn1 ZINC000043343817 175016463 /nfs/dbraw/zinc/01/64/63/175016463.db2.gz VGGIVQOHIWNWPW-CQSZACIVSA-N 1 0 257.268 2.171 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1cccnc1)N(CCC#N)C1CC1 ZINC000043348372 175018518 /nfs/dbraw/zinc/01/85/18/175018518.db2.gz FHWJRRDNGHIEHW-CABCVRRESA-N 1 0 258.369 2.238 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1ccccc1C#N)c1ccncc1 ZINC000043355533 175023015 /nfs/dbraw/zinc/02/30/15/175023015.db2.gz HWUDESUTSNYPDX-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@H]([NH3+])[C@@H](N(CCC#N)C(C)C)C(F)(F)F ZINC000043379010 175031013 /nfs/dbraw/zinc/03/10/13/175031013.db2.gz AMIZFORAGZTVPA-VHSXEESVSA-N 1 0 251.296 2.279 10 30 CEEERO CCOC1CC[NH+](Cc2sccc2C#CCO)CC1 ZINC000043678045 175088913 /nfs/dbraw/zinc/08/89/13/175088913.db2.gz GHLBDFIKSWZYRG-UHFFFAOYSA-N 1 0 279.405 2.093 10 30 CEEERO C[N@H+](Cc1ccc(C#CCO)s1)[C@H]1CCSC1 ZINC000043679526 175090140 /nfs/dbraw/zinc/09/01/40/175090140.db2.gz WCCJOLDQJMQFFV-NSHDSACASA-N 1 0 267.419 2.029 10 30 CEEERO CN[C@](C)(C#N)CCC[N@@H+]1CCc2ccccc2C1 ZINC000045307602 175355617 /nfs/dbraw/zinc/35/56/17/175355617.db2.gz UKPZYRSUFNVTAX-INIZCTEOSA-N 1 0 257.381 2.327 10 30 CEEERO CCN[C@](C)(C#N)CCC[N@H+](C)CCc1ccncc1 ZINC000045312674 175357541 /nfs/dbraw/zinc/35/75/41/175357541.db2.gz BGUHDYJIZCYSBL-INIZCTEOSA-N 1 0 274.412 2.228 10 30 CEEERO CC[N@H+](CCC[C@@](C)(C#N)NC(C)C)CCOC ZINC000045316882 175357690 /nfs/dbraw/zinc/35/76/90/175357690.db2.gz IQEIQIZQTBWEFQ-AWEZNQCLSA-N 1 0 255.406 2.015 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](CCOC)C1CC1 ZINC000045316735 175357867 /nfs/dbraw/zinc/35/78/67/175357867.db2.gz YNQYSXIAAPYECL-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO CCC(CC)[N@H+](CCC[C@@](C)(N)C#N)CCOC ZINC000045319519 175359022 /nfs/dbraw/zinc/35/90/22/175359022.db2.gz RDPSRIAAPVDRHC-CQSZACIVSA-N 1 0 255.406 2.145 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318446 175359257 /nfs/dbraw/zinc/35/92/57/175359257.db2.gz NVHKTEGYTVXCCK-KRWDZBQOSA-N 1 0 294.487 2.465 10 30 CEEERO CCC[NH2+][C@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O ZINC000071041631 176028261 /nfs/dbraw/zinc/02/82/61/176028261.db2.gz NRVDYBWOFLKPEI-AWEZNQCLSA-N 1 0 275.327 2.192 10 30 CEEERO C[C@H]1CCC[C@@H]1NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000071210986 176083367 /nfs/dbraw/zinc/08/33/67/176083367.db2.gz GDFJAARMPILHHX-NHYWBVRUSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(CCC#N)CCOC ZINC000071221867 176087844 /nfs/dbraw/zinc/08/78/44/176087844.db2.gz RRXQVHWPOIFUTE-HZPDHXFCSA-N 1 0 293.386 2.466 10 30 CEEERO COCCN(CCC#N)c1ccc(F)cc1[C@H](C)[NH3+] ZINC000071225932 176089912 /nfs/dbraw/zinc/08/99/12/176089912.db2.gz UTHLAONVIKCFMJ-NSHDSACASA-N 1 0 265.332 2.212 10 30 CEEERO CCOC(=O)CCCCC[NH+]1CCN(C(C)(C)C#N)CC1 ZINC000071297588 176112541 /nfs/dbraw/zinc/11/25/41/176112541.db2.gz JLVVJXAYBQAEFE-UHFFFAOYSA-N 1 0 295.427 2.030 10 30 CEEERO CCCN(Cc1cn2ccccc2c1C#N)[C@@H]1CC[NH2+]C1 ZINC000071331158 176124728 /nfs/dbraw/zinc/12/47/28/176124728.db2.gz UVUOGOJNHILALX-OAHLLOKOSA-N 1 0 282.391 2.385 10 30 CEEERO C=CCN(CC=C)C(=O)c1nc2ccccn2c1C[NH+](C)C ZINC000071553672 176197026 /nfs/dbraw/zinc/19/70/26/176197026.db2.gz FHCRPFVQARBFPO-UHFFFAOYSA-N 1 0 298.390 2.210 10 30 CEEERO N#Cc1c(NC(=O)[C@H]2CCC[NH2+]2)sc2c1CCCC2 ZINC000073341503 176467490 /nfs/dbraw/zinc/46/74/90/176467490.db2.gz HJICFELQPCJTPU-LLVKDONJSA-N 1 0 275.377 2.189 10 30 CEEERO COC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000305821359 268006140 /nfs/dbraw/zinc/00/61/40/268006140.db2.gz HCXLDKSXGZBWTJ-POOIEITISA-N 1 0 250.342 2.000 10 30 CEEERO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398989767 270365074 /nfs/dbraw/zinc/36/50/74/270365074.db2.gz HAIKQEVUXTTWHB-NOLJZWGESA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1[NH3+] ZINC000261568307 274362928 /nfs/dbraw/zinc/36/29/28/274362928.db2.gz JVMDTFZGWBMRPT-LDYMZIIASA-N 1 0 269.270 2.360 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000229600459 274419209 /nfs/dbraw/zinc/41/92/09/274419209.db2.gz XAMWKEIHZLEHFT-ONGXEEELSA-N 1 0 260.297 2.019 10 30 CEEERO Cc1nc(N2CC[C@H]([NH3+])C(C)(C)C2)c(Cl)cc1C#N ZINC000261627477 274842307 /nfs/dbraw/zinc/84/23/07/274842307.db2.gz VLQZYYYYCDVMHX-LBPRGKRZSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1cc2c(nc1NCC1([NH3+])CCC1)CCCC2 ZINC000236217737 274921549 /nfs/dbraw/zinc/92/15/49/274921549.db2.gz JJEOCUJUIIFVEQ-UHFFFAOYSA-N 1 0 256.353 2.125 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(C#N)c1 ZINC000092630739 276181807 /nfs/dbraw/zinc/18/18/07/276181807.db2.gz LDMFLZZKYVNEHV-HNNXBMFYSA-N 1 0 271.364 2.115 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124877003 278228024 /nfs/dbraw/zinc/22/80/24/278228024.db2.gz NOISOLDLLKGBDA-CMPLNLGQSA-N 1 0 274.324 2.030 10 30 CEEERO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c(C#N)c(C)n1 ZINC000157455239 301337061 /nfs/dbraw/zinc/33/70/61/301337061.db2.gz AKWREHYUYGDOFZ-ZDUSSCGKSA-N 1 0 258.369 2.101 10 30 CEEERO C[NH+]=C(N[C@H]1CC1(C)C)N1CCC(OCC2CC2)CC1 ZINC000261655100 329974746 /nfs/dbraw/zinc/97/47/46/329974746.db2.gz AJPVAXPAINXNGV-AWEZNQCLSA-N 1 0 279.428 2.251 10 30 CEEERO C[NH+]=C(NCCOCC1CC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261733741 329980406 /nfs/dbraw/zinc/98/04/06/329980406.db2.gz LUHFFDCEAHUOAU-GJZGRUSLSA-N 1 0 279.428 2.110 10 30 CEEERO CC[C@@H](C)NC(=[NH2+])NCc1nccc2ccccc21 ZINC000261763665 329981961 /nfs/dbraw/zinc/98/19/61/329981961.db2.gz LRZHLKYCBAUQTE-LLVKDONJSA-N 1 0 256.353 2.438 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCN(c2cccs2)CC1 ZINC000261935790 329989941 /nfs/dbraw/zinc/98/99/41/329989941.db2.gz CJQYQTNUNOTIAY-QWHCGFSZSA-N 1 0 292.452 2.244 10 30 CEEERO C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NCC1CC1 ZINC000262304562 330005145 /nfs/dbraw/zinc/00/51/45/330005145.db2.gz AAWYKPJIPWCPBM-VIFPVBQESA-N 1 0 287.816 2.010 10 30 CEEERO CC(C)NC(=[NH2+])N[C@@H]1COc2cccc(Cl)c21 ZINC000262322981 330005912 /nfs/dbraw/zinc/00/59/12/330005912.db2.gz WFKBKRJYENVWNI-SECBINFHSA-N 1 0 253.733 2.086 10 30 CEEERO C[NH+]=C(NCc1nc(C)c(C)s1)N[C@@H]1CC1(C)C ZINC000262397863 330012615 /nfs/dbraw/zinc/01/26/15/330012615.db2.gz NFZNFESQIFRDOM-SNVBAGLBSA-N 1 0 266.414 2.223 10 30 CEEERO C[NH+]=C(NCc1sc(C)nc1C)N[C@@H]1CCC[C@H]1C#N ZINC000262442577 330013300 /nfs/dbraw/zinc/01/33/00/330013300.db2.gz UTSQXOUDIZSZAS-NWDGAFQWSA-N 1 0 291.424 2.117 10 30 CEEERO COC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262512367 330018758 /nfs/dbraw/zinc/01/87/58/330018758.db2.gz DSSUPNMOMYSGDN-AUTRQRHGSA-N 1 0 299.777 2.274 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[C@H]2O)cc1Cl ZINC000262516802 330019216 /nfs/dbraw/zinc/01/92/16/330019216.db2.gz GSRACAMXJDHSRK-JOYOIKCWSA-N 1 0 297.786 2.236 10 30 CEEERO CCc1ccc(NC(=[NH2+])NCCn2cc(C)cn2)cc1 ZINC000262542838 330020381 /nfs/dbraw/zinc/02/03/81/330020381.db2.gz STURYJUNQQLEOP-UHFFFAOYSA-N 1 0 271.368 2.181 10 30 CEEERO CC[NH+]=C(NCCc1sc(C)nc1C)N[C@@H]1C[C@@H]1C ZINC000262829238 330034491 /nfs/dbraw/zinc/03/44/91/330034491.db2.gz ZFOGASWJTHYCEN-JOYOIKCWSA-N 1 0 280.441 2.266 10 30 CEEERO [NH2+]=C(NC[C@@H]1CC12CC2)Nc1cc(F)ccc1F ZINC000263060173 330041513 /nfs/dbraw/zinc/04/15/13/330041513.db2.gz FJUZJJNLXKVHKX-QMMMGPOBSA-N 1 0 251.280 2.492 10 30 CEEERO Cc1nc(CNC(=[NH2+])NC(C)C)sc1Br ZINC000263108599 330044204 /nfs/dbraw/zinc/04/42/04/330044204.db2.gz KXAWVHXURQWZHL-UHFFFAOYSA-N 1 0 291.218 2.027 10 30 CEEERO CCc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424068362 330219535 /nfs/dbraw/zinc/21/95/35/330219535.db2.gz RPFIYEAPCPAFBG-WFASDCNBSA-N 1 0 273.380 2.447 10 30 CEEERO C=CC[C@H](CO)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000184264326 333126332 /nfs/dbraw/zinc/12/63/32/333126332.db2.gz VLNAHTPNISEMRO-ZIAGYGMSSA-N 1 0 298.427 2.160 10 30 CEEERO C=CCCC[C@H](C)NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000181091138 335749929 /nfs/dbraw/zinc/74/99/29/335749929.db2.gz BNOZQZDYDRXRJT-QWHCGFSZSA-N 1 0 253.390 2.077 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652791 519739116 /nfs/dbraw/zinc/73/91/16/519739116.db2.gz GLIZFMCCSUSVFV-CVEARBPZSA-N 1 0 280.460 2.073 10 30 CEEERO C=C(C)C[N@H+](CC)C[C@@H](O)COCc1ccccc1 ZINC000068045790 518600174 /nfs/dbraw/zinc/60/01/74/518600174.db2.gz FMRJWQXIROCKAS-MRXNPFEDSA-N 1 0 263.381 2.462 10 30 CEEERO C=C[C@H](C)Oc1ccc(OC)cc1C[NH2+]CCOC ZINC000062727752 519300298 /nfs/dbraw/zinc/30/02/98/519300298.db2.gz VCFUHVZNNRSTLT-LBPRGKRZSA-N 1 0 265.353 2.385 10 30 CEEERO CC(C)CN(CCC#N)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050947652 519714717 /nfs/dbraw/zinc/71/47/17/519714717.db2.gz IZEOLHHDBROQBP-CQSZACIVSA-N 1 0 265.401 2.307 10 30 CEEERO CC(C)[NH2+]C[C@@H]1CCCN(Cc2ccnc(C#N)c2)C1 ZINC000068757861 519723673 /nfs/dbraw/zinc/72/36/73/519723673.db2.gz XXXMKTFJMRDQIZ-HNNXBMFYSA-N 1 0 272.396 2.163 10 30 CEEERO CCCCC(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586588 519905528 /nfs/dbraw/zinc/90/55/28/519905528.db2.gz XBDKWQMCRGGXBA-UHFFFAOYSA-N 1 0 258.365 2.145 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(CC)CC1 ZINC000068612937 520128689 /nfs/dbraw/zinc/12/86/89/520128689.db2.gz QEIJOGRRZNNTIH-GDBMZVCRSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070131 520128786 /nfs/dbraw/zinc/12/87/86/520128786.db2.gz WUKWMPFDRZWXCX-HZPDHXFCSA-N 1 0 280.460 2.074 10 30 CEEERO CCCCN(C(=O)c1ccc(C#CC[NH3+])cn1)[C@@H](C)CC ZINC000061872507 520358269 /nfs/dbraw/zinc/35/82/69/520358269.db2.gz KYMROHJDQLASDX-AWEZNQCLSA-N 1 0 287.407 2.433 10 30 CEEERO CCOC(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000054824408 520931035 /nfs/dbraw/zinc/93/10/35/520931035.db2.gz FBIABURFRAODDN-JSGCOSHPSA-N 1 0 279.384 2.279 10 30 CEEERO CCCC[C@H](C)NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000050890999 521146962 /nfs/dbraw/zinc/14/69/62/521146962.db2.gz HPCJYLFJXOUWFX-LBPRGKRZSA-N 1 0 276.355 2.444 10 30 CEEERO CCC[C@]1(C(=O)Nc2ccc(CC#N)cc2)CC[NH2+]C1 ZINC000062893039 521300068 /nfs/dbraw/zinc/30/00/68/521300068.db2.gz PGLQHUFGYXCPNX-INIZCTEOSA-N 1 0 271.364 2.471 10 30 CEEERO CC[N@H+](Cc1ccc(OC)c(C#CCO)c1)C1CC1 ZINC000049617367 521323074 /nfs/dbraw/zinc/32/30/74/521323074.db2.gz YVRLOGROTYHKAX-UHFFFAOYSA-N 1 0 259.349 2.023 10 30 CEEERO CCC1(C(=O)Nc2ccc(F)c(C#N)c2)CC[NH2+]CC1 ZINC000062850265 521672009 /nfs/dbraw/zinc/67/20/09/521672009.db2.gz GCTMZGBXGIPOBL-UHFFFAOYSA-N 1 0 275.327 2.416 10 30 CEEERO CC[C@@H](C#N)Oc1ccc(OC)cc1C[NH2+]CCOC ZINC000062727761 521802545 /nfs/dbraw/zinc/80/25/45/521802545.db2.gz SPDUMNICMALDEZ-ZDUSSCGKSA-N 1 0 278.352 2.112 10 30 CEEERO CC[C@@H](C)[C@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049105786 522357937 /nfs/dbraw/zinc/35/79/37/522357937.db2.gz ODKNKVDIZUZKGN-OLZOCXBDSA-N 1 0 258.365 2.161 10 30 CEEERO CN[C@@](C)(C#N)C[C@@H](C)N1CCC([NH+]2CCCCC2)CC1 ZINC000068612101 522406340 /nfs/dbraw/zinc/40/63/40/522406340.db2.gz DSAANVCVKLKLCN-NVXWUHKLSA-N 1 0 292.471 2.217 10 30 CEEERO CN[C@H](C#N)CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000062369525 522435371 /nfs/dbraw/zinc/43/53/71/522435371.db2.gz WRNPFKGIPLCWMB-KRWDZBQOSA-N 1 0 271.408 2.443 10 30 CEEERO COCC1CC[NH+]([C@@H](C)C[C@](C)(C#N)NC(C)C)CC1 ZINC000068616652 522936497 /nfs/dbraw/zinc/93/64/97/522936497.db2.gz XTUZPOWSEDCTSM-GOEBONIOSA-N 1 0 281.444 2.404 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCO)cc1)C[C@H]1CCCCO1 ZINC000049613699 523207029 /nfs/dbraw/zinc/20/70/29/523207029.db2.gz HDGNASOGWDKAHQ-QGZVFWFLSA-N 1 0 273.376 2.031 10 30 CEEERO C[N@H+](Cc1ccc(C#CCO)cc1F)[C@@H]1CCSC1 ZINC000049617829 523208446 /nfs/dbraw/zinc/20/84/46/523208446.db2.gz ZALHEYDTUNVTKO-CQSZACIVSA-N 1 0 279.380 2.107 10 30 CEEERO CN(Cc1cccc(C#CC[NH3+])c1)C(=O)c1ccccc1 ZINC000049586903 523291975 /nfs/dbraw/zinc/29/19/75/523291975.db2.gz JCDAYLRPUPAMRG-UHFFFAOYSA-N 1 0 278.355 2.269 10 30 CEEERO CN(Cc1ccccc1C#CC[NH3+])C(=O)c1ccsc1 ZINC000049586844 523358191 /nfs/dbraw/zinc/35/81/91/523358191.db2.gz MKJHTOPESCPAKU-UHFFFAOYSA-N 1 0 284.384 2.331 10 30 CEEERO CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609848 523508403 /nfs/dbraw/zinc/50/84/03/523508403.db2.gz SHCOXBITNBIDJD-SUMWQHHRSA-N 1 0 290.382 2.135 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@@H+]1CCC[C@H]1C ZINC000049615234 523515916 /nfs/dbraw/zinc/51/59/16/523515916.db2.gz HPRIGNRIMUQRML-CYBMUJFWSA-N 1 0 259.349 2.023 10 30 CEEERO CN(c1cc(C#N)c2ccccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000068771241 523631901 /nfs/dbraw/zinc/63/19/01/523631901.db2.gz DEPLCRXFPPZGAL-CYBMUJFWSA-N 1 0 266.348 2.295 10 30 CEEERO COCC[N@H+](Cc1ccccc1C#CCCO)C1CC1 ZINC000049614212 523758086 /nfs/dbraw/zinc/75/80/86/523758086.db2.gz XJFBYBGBZFCEAY-UHFFFAOYSA-N 1 0 273.376 2.031 10 30 CEEERO Cc1cc(C(=O)Nc2cc(C#CC[NH3+])ccc2Cl)on1 ZINC000061691926 524158747 /nfs/dbraw/zinc/15/87/47/524158747.db2.gz QDUACHGWDOSXRB-UHFFFAOYSA-N 1 0 289.722 2.199 10 30 CEEERO C[C@H](NC(=O)CC(F)(F)F)c1cccc(C#CC[NH3+])c1 ZINC000049587213 524921784 /nfs/dbraw/zinc/92/17/84/524921784.db2.gz LKDPVQOIPLNHOP-JTQLQIEISA-N 1 0 284.281 2.126 10 30 CEEERO C[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)Cc1cccc(C#N)c1 ZINC000061949633 525006839 /nfs/dbraw/zinc/00/68/39/525006839.db2.gz MTDHRLMQMYXESK-DYVFJYSZSA-N 1 0 280.375 2.474 10 30 CEEERO C[C@@H](NC(=O)NC(C)(C)C)c1cccc(C#CC[NH3+])c1 ZINC000049587462 525186660 /nfs/dbraw/zinc/18/66/60/525186660.db2.gz SAWWPKUJQUCQNM-GFCCVEGCSA-N 1 0 273.380 2.156 10 30 CEEERO N#CC[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000055018612 526480669 /nfs/dbraw/zinc/48/06/69/526480669.db2.gz YYISJYYISLXNDV-GOEBONIOSA-N 1 0 255.365 2.468 10 30 CEEERO N#Cc1cc(OC[C@H]2CC[NH2+]C2)nc2ccccc12 ZINC000068771740 526575312 /nfs/dbraw/zinc/57/53/12/526575312.db2.gz CJEICENOAFYUMN-NSHDSACASA-N 1 0 253.305 2.095 10 30 CEEERO N#Cc1cccc(C(=O)Nc2cccc(OCC[NH3+])c2)c1 ZINC000062839147 526700152 /nfs/dbraw/zinc/70/01/52/526700152.db2.gz FJAONQDBWHMJDF-UHFFFAOYSA-N 1 0 281.315 2.148 10 30 CEEERO N#Cc1cccc(Cn2ccnc2C[NH2+]C2CC2)c1 ZINC000051015011 526713160 /nfs/dbraw/zinc/71/31/60/526713160.db2.gz GHXQGPVQVAEVJS-UHFFFAOYSA-N 1 0 252.321 2.055 10 30 CEEERO N#Cc1ccccc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050939974 526742511 /nfs/dbraw/zinc/74/25/11/526742511.db2.gz IBPNEYFPUUJKRB-CYBMUJFWSA-N 1 0 257.337 2.419 10 30 CEEERO N#Cc1ccsc1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061612684 526771055 /nfs/dbraw/zinc/77/10/55/526771055.db2.gz ZKKMOCTVBUCMBU-LBPRGKRZSA-N 1 0 271.345 2.301 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)c2ccc(F)cc2)cc1 ZINC000049586277 527150402 /nfs/dbraw/zinc/15/04/02/527150402.db2.gz IAWKOGDWCIUFJI-UHFFFAOYSA-N 1 0 282.318 2.066 10 30 CEEERO [NH3+]CC#Cc1ccccc1C(=O)Nc1nc2c(s1)CCC2 ZINC000049549303 527153551 /nfs/dbraw/zinc/15/35/51/527153551.db2.gz QFUGNDTYXWVDPE-UHFFFAOYSA-N 1 0 297.383 2.194 10 30 CEEERO Cn1cc(SCc2ccc(C#CC[NH3+])cc2F)cn1 ZINC000049612942 527291518 /nfs/dbraw/zinc/29/15/18/527291518.db2.gz SUNPILVYHFQKKZ-UHFFFAOYSA-N 1 0 275.352 2.162 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CC[C@@](C)(CC)C1 ZINC000261733075 629166735 /nfs/dbraw/zinc/16/67/35/629166735.db2.gz JSUCUAIBUBVYGM-OFQRWUPVSA-N 1 0 281.444 2.235 10 30 CEEERO C=CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000320601158 631052657 /nfs/dbraw/zinc/05/26/57/631052657.db2.gz ACCCPYJBNDBMCR-STQMWFEESA-N 1 0 289.297 2.265 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094592266 632225394 /nfs/dbraw/zinc/22/53/94/632225394.db2.gz DYLCSWHUBWLRMM-ZYHUDNBSSA-N 1 0 274.324 2.030 10 30 CEEERO C=C(Br)CN(C)C[C@H]1CCC[N@H+]1CC ZINC000175332262 641324257 /nfs/dbraw/zinc/32/42/57/641324257.db2.gz CFHDFOGYKRHCIC-LLVKDONJSA-N 1 0 261.207 2.311 10 30 CEEERO C[NH2+][C@H](C)CNc1ccc(Br)cc1C#N ZINC000261538507 641352643 /nfs/dbraw/zinc/35/26/43/641352643.db2.gz YIJUHBUDABGOIV-MRVPVSSYSA-N 1 0 268.158 2.341 10 30 CEEERO CC(C)C[N@H+](CCC#N)C[C@@H](O)COCc1ccccc1 ZINC000070270372 641651067 /nfs/dbraw/zinc/65/10/67/641651067.db2.gz MSKXJEYAKJEIHI-QGZVFWFLSA-N 1 0 290.407 2.436 10 30 CEEERO N#Cc1ccc(N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000094592314 642436366 /nfs/dbraw/zinc/43/63/66/642436366.db2.gz OTQYHTJSVTVDDY-CABZTGNLSA-N 1 0 260.297 2.006 10 30 CEEERO COCCCSCc1sccc1C#CC[NH3+] ZINC000082630021 178141070 /nfs/dbraw/zinc/14/10/70/178141070.db2.gz PMMYGONQLSODGI-UHFFFAOYSA-N 1 0 255.408 2.328 10 30 CEEERO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000096601403 185108101 /nfs/dbraw/zinc/10/81/01/185108101.db2.gz LDKUVNATGLSCKT-UHFFFAOYSA-N 1 0 290.323 2.183 10 30 CEEERO C[C@H]([NH3+])[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000156548081 344442420 /nfs/dbraw/zinc/44/24/20/344442420.db2.gz PVEAUWZQUJHITD-TVQRCGJNSA-N 1 0 299.296 2.129 10 30 CEEERO C[C@H]([NH3+])[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000156557573 344442676 /nfs/dbraw/zinc/44/26/76/344442676.db2.gz QZEIOLBCBVFPTF-TVQRCGJNSA-N 1 0 299.296 2.129 10 30 CEEERO C[C@H](C[NH3+])Nc1cc(Br)ccc1C#N ZINC000166071833 344475298 /nfs/dbraw/zinc/47/52/98/344475298.db2.gz GJLRTULZPQSHBJ-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO C[C@H]1C[C@@H]([NH3+])CN(c2ccc(C#N)c3ncccc32)C1 ZINC000230452974 344572832 /nfs/dbraw/zinc/57/28/32/344572832.db2.gz MPGCORKREKQAST-WCQYABFASA-N 1 0 266.348 2.280 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000246572437 344617108 /nfs/dbraw/zinc/61/71/08/344617108.db2.gz AOUQOTYJJDIDNJ-KBPBESRZSA-N 1 0 298.427 2.303 10 30 CEEERO Cc1nc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(Cl)cc1C#N ZINC000312748310 344739705 /nfs/dbraw/zinc/73/97/05/344739705.db2.gz WRHWEVRKJMYYTB-WFASDCNBSA-N 1 0 290.798 2.480 10 30 CEEERO C[C@H]([NH2+]CC1(O)CCSCC1)c1cccc(C#N)c1 ZINC000305802955 344711406 /nfs/dbraw/zinc/71/14/06/344711406.db2.gz YFUKIIIZEKBZTA-LBPRGKRZSA-N 1 0 276.405 2.467 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1Cl ZINC000097092968 185528630 /nfs/dbraw/zinc/52/86/30/185528630.db2.gz MCRWZTQMLPLUMP-WCBMZHEXSA-N 1 0 263.728 2.278 10 30 CEEERO C=C(C)CN(CC)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000057870067 362598101 /nfs/dbraw/zinc/59/81/01/362598101.db2.gz PASQXHXMUFFBNL-ZDUSSCGKSA-N 1 0 253.390 2.078 10 30 CEEERO N#Cc1ccnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594693786 345672855 /nfs/dbraw/zinc/67/28/55/345672855.db2.gz UPJFAORJNOLEIV-HNNXBMFYSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1ccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000594693033 345673319 /nfs/dbraw/zinc/67/33/19/345673319.db2.gz IXCAXAODUAKXLW-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1cc(NCC2([NH3+])CCCC2)nc2ccccc12 ZINC000594694765 345673996 /nfs/dbraw/zinc/67/39/96/345673996.db2.gz SGWWDWQRNSHTAY-UHFFFAOYSA-N 1 0 266.348 2.212 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000596029819 345925936 /nfs/dbraw/zinc/92/59/36/345925936.db2.gz BTEQWULGDVVKOZ-GFCCVEGCSA-N 1 0 262.313 2.252 10 30 CEEERO C[NH2+]C[C@@H](C)Nc1ccc(Br)cc1C#N ZINC000596032458 345926390 /nfs/dbraw/zinc/92/63/90/345926390.db2.gz LALPEAADASBBBW-MRVPVSSYSA-N 1 0 268.158 2.341 10 30 CEEERO N#Cc1c(Br)cccc1NCC12CC(C1)C[NH2+]2 ZINC000596027289 345925250 /nfs/dbraw/zinc/92/52/50/345925250.db2.gz RSOVDERLRPBLMC-UHFFFAOYSA-N 1 0 292.180 2.485 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085360688 179033025 /nfs/dbraw/zinc/03/30/25/179033025.db2.gz XNBYYQZOTTYHNF-QWRGUYRKSA-N 1 0 263.728 2.278 10 30 CEEERO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000085374679 179043676 /nfs/dbraw/zinc/04/36/76/179043676.db2.gz KIZLGXRZLQHOPM-UONOGXRCSA-N 1 0 257.337 2.039 10 30 CEEERO C=CCN1C[C@H](Cc2ccccc2)[NH2+]C[C@@H]1C1CC1 ZINC000085489657 179081531 /nfs/dbraw/zinc/08/15/31/179081531.db2.gz FMKVBHXFQOMWQV-DLBZAZTESA-N 1 0 256.393 2.468 10 30 CEEERO CCc1nnc(N[C@H]2CC[C@@H](C)[NH2+]C2)c(C#N)c1CC ZINC000600955228 346716210 /nfs/dbraw/zinc/71/62/10/346716210.db2.gz KQQGTYCNKYJWNO-MNOVXSKESA-N 1 0 273.384 2.025 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000600959539 346718558 /nfs/dbraw/zinc/71/85/58/346718558.db2.gz YUNSTJUWMWFOOO-GFCCVEGCSA-N 1 0 274.324 2.174 10 30 CEEERO C#CCOc1ccc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cc1 ZINC000128473012 187372748 /nfs/dbraw/zinc/37/27/48/187372748.db2.gz BSKBLSKKVIPENQ-INIZCTEOSA-N 1 0 295.386 2.422 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CC[NH3+])cc2F)[C@@H]1C ZINC000086081154 179227500 /nfs/dbraw/zinc/22/75/00/179227500.db2.gz UDROPVXCXLCAJU-HSMVNMDESA-N 1 0 288.366 2.300 10 30 CEEERO CC(C)[NH2+]CCCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000568611498 299149531 /nfs/dbraw/zinc/14/95/31/299149531.db2.gz UYRBKDWZEAFRBO-UHFFFAOYSA-N 1 0 262.313 2.266 10 30 CEEERO C#CCN1CCC([NH2+]CC2(O)CCC(CC)CC2)CC1 ZINC000087052933 179388978 /nfs/dbraw/zinc/38/89/78/179388978.db2.gz KMCCQMWFKQBOLK-UHFFFAOYSA-N 1 0 278.440 2.005 10 30 CEEERO CC[C@H](CC#N)NC(=O)CC1([NH2+]C)CCCCC1 ZINC000087577755 179448955 /nfs/dbraw/zinc/44/89/55/179448955.db2.gz MMPPWODKBKBPJD-GFCCVEGCSA-N 1 0 251.374 2.107 10 30 CEEERO N#Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089386453 179777301 /nfs/dbraw/zinc/77/73/01/179777301.db2.gz PCEUCOFVILDUEK-JSGCOSHPSA-N 1 0 257.337 2.262 10 30 CEEERO N#Cc1ccc(F)c(C[NH2+]C[C@@H]2CCC[C@@H]2CO)c1 ZINC000089498093 179804566 /nfs/dbraw/zinc/80/45/66/179804566.db2.gz HADNWHZESMDHDI-QWHCGFSZSA-N 1 0 262.328 2.196 10 30 CEEERO CC[C@@H](C#N)N1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090977020 180078937 /nfs/dbraw/zinc/07/89/37/180078937.db2.gz XJEKRYNLXSZPAN-HOTGVXAUSA-N 1 0 269.392 2.246 10 30 CEEERO CCC[NH2+]Cc1cccn1Cc1cccnc1C#N ZINC000091000998 180083205 /nfs/dbraw/zinc/08/32/05/180083205.db2.gz WIRIDCJCEJAEOO-UHFFFAOYSA-N 1 0 254.337 2.303 10 30 CEEERO C[C@@H]([NH3+])Cc1cccn1Cc1ccc(C#N)cc1F ZINC000091005298 180084506 /nfs/dbraw/zinc/08/45/06/180084506.db2.gz OVIOJUJVNFEZED-LLVKDONJSA-N 1 0 257.312 2.437 10 30 CEEERO CCC(CC)CN(CC)C(=O)c1ccncc1C#CC[NH3+] ZINC000091461998 180161822 /nfs/dbraw/zinc/16/18/22/180161822.db2.gz CRKSFNZPHBBMGT-UHFFFAOYSA-N 1 0 287.407 2.290 10 30 CEEERO Cc1ccc([C@H](C)NC(=O)c2ccncc2C#CC[NH3+])s1 ZINC000091462253 180161992 /nfs/dbraw/zinc/16/19/92/180161992.db2.gz ZIVBAKJBPDSULH-LBPRGKRZSA-N 1 0 299.399 2.253 10 30 CEEERO C[C@H]1CCCCC[C@@H]1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091463681 180162382 /nfs/dbraw/zinc/16/23/82/180162382.db2.gz VKLTUHGANNJYQX-BBRMVZONSA-N 1 0 285.391 2.090 10 30 CEEERO Cc1ncccc1NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000091497941 180173395 /nfs/dbraw/zinc/17/33/95/180173395.db2.gz GTEWWGZVFRFKNE-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000091528025 180179959 /nfs/dbraw/zinc/17/99/59/180179959.db2.gz QBSVAIYOGTXMCE-XQQFMLRXSA-N 1 0 271.364 2.473 10 30 CEEERO C[C@@H](NC(=O)N1CCCCC1)c1cccc(C#CC[NH3+])c1 ZINC000091969688 180294996 /nfs/dbraw/zinc/29/49/96/180294996.db2.gz HMVXBNLPFZFCRC-CQSZACIVSA-N 1 0 285.391 2.253 10 30 CEEERO CC(C)C1CCC(C#N)([C@]2(O)CCC[NH2+]C2)CC1 ZINC000091879104 180279644 /nfs/dbraw/zinc/27/96/44/180279644.db2.gz PGFVNYMIBDBTPX-NRXISQOPSA-N 1 0 250.386 2.457 10 30 CEEERO C=C(C)COc1ccc(C)nc1C[NH2+]CCOC ZINC000091996674 180302392 /nfs/dbraw/zinc/30/23/92/180302392.db2.gz JWJIHEYFZRQTJA-UHFFFAOYSA-N 1 0 250.342 2.081 10 30 CEEERO Cc1ccc(OCC#Cc2ccccc2)c(CC[NH3+])n1 ZINC000091999750 180303884 /nfs/dbraw/zinc/30/38/84/180303884.db2.gz ZJXPYQFDVJQSCW-UHFFFAOYSA-N 1 0 266.344 2.322 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)ccc1Cl ZINC000092202818 180343313 /nfs/dbraw/zinc/34/33/13/180343313.db2.gz JULLTWKYMCCQQW-SCZZXKLOSA-N 1 0 261.712 2.054 10 30 CEEERO C[C@H](C#N)N1CC[NH+](C[C@@H]2Cc3ccccc3S2)CC1 ZINC000092260816 180354472 /nfs/dbraw/zinc/35/44/72/180354472.db2.gz GKWFPHDOXDLPEC-HIFRSBDPSA-N 1 0 287.432 2.233 10 30 CEEERO C=C(Cl)C[N@H+]1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919931 186089894 /nfs/dbraw/zinc/08/98/94/186089894.db2.gz RFXWPRHJXHPYNT-ZDUSSCGKSA-N 1 0 268.792 2.359 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)c2c(C)noc2C)CC1 ZINC000092327407 180362992 /nfs/dbraw/zinc/36/29/92/180362992.db2.gz KGHGKPDIFOVSFA-LLVKDONJSA-N 1 0 261.369 2.040 10 30 CEEERO COc1ccc2c(c1)[C@@](C#N)(N1CCC[NH2+]CC1)CCC2 ZINC000092384901 180373746 /nfs/dbraw/zinc/37/37/46/180373746.db2.gz OANHWPBJIBVGJD-QGZVFWFLSA-N 1 0 285.391 2.046 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC2(CCCCC2)CC1 ZINC000092475764 180393648 /nfs/dbraw/zinc/39/36/48/180393648.db2.gz SNDMSKLQOYDMOM-UHFFFAOYSA-N 1 0 250.386 2.335 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1CCCc2sccc21 ZINC000092475745 180393875 /nfs/dbraw/zinc/39/38/75/180393875.db2.gz QFRNVAWXAWAOCA-LLVKDONJSA-N 1 0 250.367 2.017 10 30 CEEERO N#Cc1cccc(OCCC[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000107919213 186197309 /nfs/dbraw/zinc/19/73/09/186197309.db2.gz NLWOKCITFVZGCN-XYPWUTKMSA-N 1 0 286.375 2.315 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cc1ccc(C#N)cc1 ZINC000092630824 180420339 /nfs/dbraw/zinc/42/03/39/180420339.db2.gz XNJRUHAYRGHMNQ-MRXNPFEDSA-N 1 0 285.391 2.043 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1COc1ccccc1CO ZINC000110994474 186341006 /nfs/dbraw/zinc/34/10/06/186341006.db2.gz DXGWZKUBKMZTQA-UHFFFAOYSA-N 1 0 285.318 2.207 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000111102495 186352640 /nfs/dbraw/zinc/35/26/40/186352640.db2.gz XEGUCECVCBTERQ-UAGQMJEPSA-N 1 0 282.387 2.163 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCO)cc1F)C[C@@H]1CCCOC1 ZINC000111168257 186363930 /nfs/dbraw/zinc/36/39/30/186363930.db2.gz RYZURDKKRFNAFH-HNNXBMFYSA-N 1 0 291.366 2.028 10 30 CEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000111263906 186381598 /nfs/dbraw/zinc/38/15/98/186381598.db2.gz YIXGGHQRFBVURX-KWQFWETISA-N 1 0 263.728 2.006 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[NH2+]C[C@@H]1C ZINC000111268825 186384461 /nfs/dbraw/zinc/38/44/61/186384461.db2.gz GRHBXRJAOXCNEY-XJKSGUPXSA-N 1 0 285.391 2.152 10 30 CEEERO CC(C)C[N@@H+]1CCC[C@@H]1CNc1ncccc1C#N ZINC000131477305 187568220 /nfs/dbraw/zinc/56/82/20/187568220.db2.gz APAVXIQZWOHPMI-CQSZACIVSA-N 1 0 258.369 2.486 10 30 CEEERO CCCN(c1c(F)cc(C#N)cc1F)[C@@H]1CC[NH2+]C1 ZINC000133681414 283308540 /nfs/dbraw/zinc/30/85/40/283308540.db2.gz BNEOIVAAAXNMCD-LLVKDONJSA-N 1 0 265.307 2.415 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(C#N)cs1 ZINC000177211578 189037057 /nfs/dbraw/zinc/03/70/57/189037057.db2.gz SAQPDYWLCMRIRK-GFCCVEGCSA-N 1 0 277.393 2.176 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](CC#Cc3ccc(F)cc3)C2)cn1 ZINC000120639883 365454533 /nfs/dbraw/zinc/45/45/33/365454533.db2.gz GYLAWVBIPZKNNU-HNNXBMFYSA-N 1 0 283.350 2.400 10 30 CEEERO Cc1cc(C#N)ccc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245960805 370894596 /nfs/dbraw/zinc/89/45/96/370894596.db2.gz SFMHJYGYFSHLFH-CZUORRHYSA-N 1 0 285.391 2.325 10 30 CEEERO COc1cc(C#N)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245942739 370891269 /nfs/dbraw/zinc/89/12/69/370891269.db2.gz RFCFBAZMIMPDFR-INIZCTEOSA-N 1 0 285.391 2.237 10 30 CEEERO C[NH2+]C[C@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000229248884 370422210 /nfs/dbraw/zinc/42/22/10/370422210.db2.gz MSUIAWIBBVWDSE-SNVBAGLBSA-N 1 0 294.196 2.366 10 30 CEEERO C=CCCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000246969147 371039698 /nfs/dbraw/zinc/03/96/98/371039698.db2.gz PXMALJMISFLSHS-KBPBESRZSA-N 1 0 250.386 2.428 10 30 CEEERO Cc1nc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(Cl)cc1C#N ZINC000261598709 371671233 /nfs/dbraw/zinc/67/12/33/371671233.db2.gz PHLSZOOVZNGVAV-MFKMUULPSA-N 1 0 276.771 2.103 10 30 CEEERO C[NH2+]CCC1CCN(c2ccc(C#N)c(C)n2)CC1 ZINC000261582618 371661436 /nfs/dbraw/zinc/66/14/36/371661436.db2.gz GSHMFSRANNMJOL-UHFFFAOYSA-N 1 0 258.369 2.088 10 30 CEEERO N#Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000382419288 375184494 /nfs/dbraw/zinc/18/44/94/375184494.db2.gz APCDYEDSMDCXNQ-GHMZBOCLSA-N 1 0 260.297 2.148 10 30 CEEERO C[C@H](C[NH3+])N(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000383019500 375197090 /nfs/dbraw/zinc/19/70/90/375197090.db2.gz NRWDLLFJRDNQKR-MRVPVSSYSA-N 1 0 257.259 2.360 10 30 CEEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000310176936 376616564 /nfs/dbraw/zinc/61/65/64/376616564.db2.gz MNDCBBJDCPHAOD-ZYHUDNBSSA-N 1 0 252.749 2.208 10 30 CEEERO COC(=O)c1ccc(C#Cc2ccc(CC[NH3+])cc2)cc1 ZINC000521402238 379531309 /nfs/dbraw/zinc/53/13/09/379531309.db2.gz YMISSXIESWLCNX-UHFFFAOYSA-N 1 0 279.339 2.374 10 30 CEEERO Cc1c(C#N)cccc1NC(=O)N1CC[C@H]([NH3+])C(C)(C)C1 ZINC000334819967 207132153 /nfs/dbraw/zinc/13/21/53/207132153.db2.gz RGOAPBILXYYCFK-AWEZNQCLSA-N 1 0 286.379 2.458 10 30 CEEERO Cc1cc(C#N)cc(NC(=O)N2CC[C@H]([NH3+])C(C)(C)C2)c1 ZINC000334876357 207227983 /nfs/dbraw/zinc/22/79/83/207227983.db2.gz WBWPOZDPCIFFGJ-AWEZNQCLSA-N 1 0 286.379 2.458 10 30 CEEERO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000092951673 184637207 /nfs/dbraw/zinc/63/72/07/184637207.db2.gz OATVXETVTXVKTD-RISCZKNCSA-N 1 0 271.364 2.424 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000106432624 284996655 /nfs/dbraw/zinc/99/66/55/284996655.db2.gz FWXHNWWNUSAALQ-HOCLYGCPSA-N 1 0 287.407 2.167 10 30 CEEERO C[C@@H]1CCC[C@@]([NH3+])(C(=O)Nc2ccccc2C#N)C1 ZINC000080906067 177725451 /nfs/dbraw/zinc/72/54/51/177725451.db2.gz HBXOQJSTVRYBIE-ABAIWWIYSA-N 1 0 257.337 2.404 10 30 CEEERO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000094293900 184777213 /nfs/dbraw/zinc/77/72/13/184777213.db2.gz GKRFNXVQZXJBJG-LLVKDONJSA-N 1 0 257.337 2.007 10 30 CEEERO CC(C)(C[NH3+])Nc1nc(C(F)(F)F)ccc1C#N ZINC000094337397 184783094 /nfs/dbraw/zinc/78/30/94/184783094.db2.gz ZMGSSPWICJOAOR-UHFFFAOYSA-N 1 0 258.247 2.121 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1cccc(C)c1)n1ccnc1C#N ZINC000094936803 184897265 /nfs/dbraw/zinc/89/72/65/184897265.db2.gz MSNSFUFWEAQTKO-DZGCQCFKSA-N 1 0 254.337 2.390 10 30 CEEERO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C#N)c(C)n1 ZINC000220897809 394461854 /nfs/dbraw/zinc/46/18/54/394461854.db2.gz NLBZZZQMFRRHNW-GOEBONIOSA-N 1 0 284.407 2.491 10 30 CEEERO C[NH2+]C[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068771150 394583419 /nfs/dbraw/zinc/58/34/19/394583419.db2.gz ITPWXHGOHMHSAT-GFCCVEGCSA-N 1 0 266.348 2.152 10 30 CEEERO N#Cc1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1Cl ZINC000261578810 394603232 /nfs/dbraw/zinc/60/32/32/394603232.db2.gz PDBWECMNIJLRDW-SMDDNHRTSA-N 1 0 261.756 2.400 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000261593253 394603578 /nfs/dbraw/zinc/60/35/78/394603578.db2.gz ZBVNESICMXCNDM-VHRBIJSZSA-N 1 0 261.756 2.385 10 30 CEEERO N#Cc1nnc2ccccc2c1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262343262 394616164 /nfs/dbraw/zinc/61/61/64/394616164.db2.gz UMSUKARDUOHWDL-IACUBPJLSA-N 1 0 293.374 2.065 10 30 CEEERO N#CCSCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000173897244 395116856 /nfs/dbraw/zinc/11/68/56/395116856.db2.gz TWTOLTGKMYIDEN-CQSZACIVSA-N 1 0 290.436 2.462 10 30 CEEERO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000533540459 395462417 /nfs/dbraw/zinc/46/24/17/395462417.db2.gz SDVNPVVLRDZNCO-UKRRQHHQSA-N 1 0 269.348 2.371 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C#N)c1F ZINC000223541233 153315107 /nfs/dbraw/zinc/31/51/07/153315107.db2.gz DNPADSNCUDKDJS-SWLSCSKDSA-N 1 0 273.355 2.366 10 30 CEEERO COC[C@]1(CNc2c(F)cc(C#N)cc2F)CCC[NH2+]1 ZINC000261654935 153802291 /nfs/dbraw/zinc/80/22/91/153802291.db2.gz DQHFNRZCVHCKDA-CQSZACIVSA-N 1 0 281.306 2.017 10 30 CEEERO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020368208 171166371 /nfs/dbraw/zinc/16/63/71/171166371.db2.gz PKAAJYYKXFTJKH-ZAOZSLGCSA-N 1 0 288.435 2.319 10 30 CEEERO N#CCCN(c1ccccc1)[C@H](C[NH3+])C(F)(F)F ZINC000037169544 173004541 /nfs/dbraw/zinc/00/45/41/173004541.db2.gz MJEKVDZUPGYJKK-LLVKDONJSA-N 1 0 257.259 2.296 10 30 CEEERO Cc1csc(NC(=O)c2cccc(C#CC[NH3+])c2)n1 ZINC000037570909 173521013 /nfs/dbraw/zinc/52/10/13/173521013.db2.gz BQYPDZSIKPPZSA-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO CCCCOCC[NH2+]Cc1ccccc1OCC#N ZINC000040506820 174302012 /nfs/dbraw/zinc/30/20/12/174302012.db2.gz LIFBFEFIPOUQKX-UHFFFAOYSA-N 1 0 262.353 2.495 10 30 CEEERO N#Cc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1Cl ZINC000042165951 174648187 /nfs/dbraw/zinc/64/81/87/174648187.db2.gz PVMQFLMMRWIZFK-SNVBAGLBSA-N 1 0 263.728 2.292 10 30 CEEERO C[C@H]([NH3+])[C@@H](c1ccco1)N(CCC#N)Cc1cccnc1 ZINC000043334579 175010309 /nfs/dbraw/zinc/01/03/09/175010309.db2.gz JLMGIBKUSXFLFT-BBRMVZONSA-N 1 0 284.363 2.479 10 30 CEEERO C[N@@H+](Cc1ccc(C#CCCO)s1)C[C@H]1CCCO1 ZINC000043678268 175088710 /nfs/dbraw/zinc/08/87/10/175088710.db2.gz PQYUNSNQQISFPI-CYBMUJFWSA-N 1 0 279.405 2.093 10 30 CEEERO CC[NH+]1CCC(N(C)Cc2sccc2C#CCO)CC1 ZINC000043682063 175091038 /nfs/dbraw/zinc/09/10/38/175091038.db2.gz LDZRNWMDWJSTSG-UHFFFAOYSA-N 1 0 292.448 2.008 10 30 CEEERO CCN(Cc1sccc1C#CC[NH3+])C[C@H](C)C#N ZINC000043684145 175092740 /nfs/dbraw/zinc/09/27/40/175092740.db2.gz XABJZGSHBQYGMA-GFCCVEGCSA-N 1 0 261.394 2.040 10 30 CEEERO CCN(Cc1ccc(C#CC[NH3+])s1)CC(F)(F)F ZINC000043684253 175093303 /nfs/dbraw/zinc/09/33/03/175093303.db2.gz TZPYQJHAPUQDKG-UHFFFAOYSA-N 1 0 276.327 2.443 10 30 CEEERO CC(C)CN(CCC#N)Cc1cc(C#CC[NH3+])cs1 ZINC000043689138 175096179 /nfs/dbraw/zinc/09/61/79/175096179.db2.gz XALJKAGCXMOVJO-UHFFFAOYSA-N 1 0 275.421 2.430 10 30 CEEERO CC[NH+]1CCC(N(C)Cc2cc(C#CCO)cs2)CC1 ZINC000043698758 175096832 /nfs/dbraw/zinc/09/68/32/175096832.db2.gz KKKDSZSOUYEVOO-UHFFFAOYSA-N 1 0 292.448 2.008 10 30 CEEERO CC[N@H+](CCCc1ccccc1)C[C@@H](C)/C(N)=N/O ZINC000044413188 175172508 /nfs/dbraw/zinc/17/25/08/175172508.db2.gz FRUCDJGMAYITDI-CYBMUJFWSA-N 1 0 263.385 2.324 10 30 CEEERO C=C(Br)C[NH2+]C[C@@H](C)N1CCCCC1 ZINC000044993096 175286578 /nfs/dbraw/zinc/28/65/78/175286578.db2.gz AHCYYELBGQSVDP-LLVKDONJSA-N 1 0 261.207 2.359 10 30 CEEERO COc1ccc(C(=O)N(C)CC(C)(C)C)cc1C#CC[NH3+] ZINC000045091839 175305803 /nfs/dbraw/zinc/30/58/03/175305803.db2.gz WHANQYSUACRYOL-UHFFFAOYSA-N 1 0 288.391 2.124 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](C)CCc1ccccn1 ZINC000045178537 175324162 /nfs/dbraw/zinc/32/41/62/175324162.db2.gz NQYGQSRTUWXPIS-MRXNPFEDSA-N 1 0 274.412 2.228 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](CC)[C@@H](C)COC ZINC000045181858 175324725 /nfs/dbraw/zinc/32/47/25/175324725.db2.gz CSLSNIUKWQNLQL-UONOGXRCSA-N 1 0 255.406 2.015 10 30 CEEERO COCC[N@H+](CC[C@@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045182601 175325638 /nfs/dbraw/zinc/32/56/38/175325638.db2.gz LGZOQJTVTKRCNJ-HOCLYGCPSA-N 1 0 281.444 2.404 10 30 CEEERO CC[NH+]1CCC(N(C)CC[C@](C)(C#N)NC(C)C)CC1 ZINC000045182547 175325913 /nfs/dbraw/zinc/32/59/13/175325913.db2.gz ILKJDFMFLDAODW-MRXNPFEDSA-N 1 0 280.460 2.073 10 30 CEEERO COC1CC[NH+](CCC[C@](C)(C#N)NC(C)C)CC1 ZINC000045310308 175356270 /nfs/dbraw/zinc/35/62/70/175356270.db2.gz RMNUHSUVHIWTKB-OAHLLOKOSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@@](C)(C#N)CCCCN1CCC([NH+](C)C)CC1 ZINC000045311149 175356679 /nfs/dbraw/zinc/35/66/79/175356679.db2.gz XTVSKUJGBSNSHJ-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC ZINC000045314215 175356993 /nfs/dbraw/zinc/35/69/93/175356993.db2.gz SHDQPIQLZGXJNH-UONOGXRCSA-N 1 0 255.406 2.015 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](CCN(C)C)CC(C)C ZINC000045313991 175357209 /nfs/dbraw/zinc/35/72/09/175357209.db2.gz FOTVOYDNHRMLTB-MRXNPFEDSA-N 1 0 282.476 2.178 10 30 CEEERO CC(C)N(CCC#N)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050942713 175520601 /nfs/dbraw/zinc/52/06/01/175520601.db2.gz WAFXBUFYZYHTGY-CYBMUJFWSA-N 1 0 251.374 2.059 10 30 CEEERO CN(CC1CCC1)C(=O)c1cc(C#CC[NH3+])ccc1F ZINC000061486950 175648756 /nfs/dbraw/zinc/64/87/56/175648756.db2.gz RWYORTMRUKZSKD-UHFFFAOYSA-N 1 0 274.339 2.008 10 30 CEEERO Cc1cc(-n2cnc(C#N)n2)ccc1C[NH2+]C(C)(C)C ZINC000061842357 175656055 /nfs/dbraw/zinc/65/60/55/175656055.db2.gz DHSVKLOEQIVZBH-UHFFFAOYSA-N 1 0 269.352 2.336 10 30 CEEERO COCCN(CCC#N)[C@H](c1ccccc1C)[C@@H](C)[NH3+] ZINC000071222128 176087864 /nfs/dbraw/zinc/08/78/64/176087864.db2.gz WUIZMECIEUHQMK-ZBFHGGJFSA-N 1 0 275.396 2.245 10 30 CEEERO CCN(c1c(C#N)cnc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071314201 176120514 /nfs/dbraw/zinc/12/05/14/176120514.db2.gz MHZOMDLLODDPGP-ZDUSSCGKSA-N 1 0 266.348 2.295 10 30 CEEERO Cc1ccc(C(=O)NCc2cc(C#CC[NH3+])cs2)s1 ZINC000071322346 176122792 /nfs/dbraw/zinc/12/27/92/176122792.db2.gz IEUBGDBOOPDLHZ-UHFFFAOYSA-N 1 0 290.413 2.358 10 30 CEEERO Cc1cc(C(=O)NCc2cc(C#CC[NH3+])cs2)c(C)o1 ZINC000071322348 176122938 /nfs/dbraw/zinc/12/29/38/176122938.db2.gz CVMLCEHWPDTVCZ-UHFFFAOYSA-N 1 0 288.372 2.198 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)C2CCCCC2)c1 ZINC000071322330 176122969 /nfs/dbraw/zinc/12/29/69/176122969.db2.gz UIOVYPHKNHRWGG-UHFFFAOYSA-N 1 0 276.405 2.255 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000071322929 176123546 /nfs/dbraw/zinc/12/35/46/176123546.db2.gz CUKYBFGWSDLOMI-YWPYICTPSA-N 1 0 288.416 2.111 10 30 CEEERO CC(C)n1c(C[NH3+])nnc1SCc1ccc(C#N)cc1 ZINC000071374240 176140063 /nfs/dbraw/zinc/14/00/63/176140063.db2.gz OMJDTXKRUIHEIR-UHFFFAOYSA-N 1 0 287.392 2.482 10 30 CEEERO C[NH2+]C[C@@H]1CCN(c2nc3ccccc3cc2C#N)C1 ZINC000071386129 176147483 /nfs/dbraw/zinc/14/74/83/176147483.db2.gz MEOXFFWNDFXOMU-LBPRGKRZSA-N 1 0 266.348 2.152 10 30 CEEERO N#Cc1cc2ccccc2nc1OC[C@H]1CC[NH2+]C1 ZINC000071386350 176147850 /nfs/dbraw/zinc/14/78/50/176147850.db2.gz YTABFVZADLRZRQ-NSHDSACASA-N 1 0 253.305 2.095 10 30 CEEERO C[C@@H](C#N)Oc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399533 176152410 /nfs/dbraw/zinc/15/24/10/176152410.db2.gz SGNUCRGRHZYALB-QMMMGPOBSA-N 1 0 258.243 2.497 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000071412108 176157434 /nfs/dbraw/zinc/15/74/34/176157434.db2.gz WGOQVMJLOKOIGT-HIFRSBDPSA-N 1 0 290.407 2.344 10 30 CEEERO C[NH+](C)CCN1C(=O)c2c(ccc3ccccc23)C1C#N ZINC000071679883 176244196 /nfs/dbraw/zinc/24/41/96/176244196.db2.gz XYTQBGVJJBQVER-HNNXBMFYSA-N 1 0 279.343 2.422 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000662637753 415914006 /nfs/dbraw/zinc/91/40/06/415914006.db2.gz XSLOEJZTRXKXRS-HZSPNIEDSA-N 1 0 250.386 2.319 10 30 CEEERO CC[N@H+](CCOc1ccc(CC#N)cc1)CC(C)(C)O ZINC000078748398 177381548 /nfs/dbraw/zinc/38/15/48/177381548.db2.gz VAZSMPRSVZYCAH-UHFFFAOYSA-N 1 0 276.380 2.224 10 30 CEEERO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000347705414 226240286 /nfs/dbraw/zinc/24/02/86/226240286.db2.gz KAQYKBPISQAOHK-IUODEOHRSA-N 1 0 260.337 2.356 10 30 CEEERO N#Cc1ccc(OCCN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000204864415 419459118 /nfs/dbraw/zinc/45/91/18/419459118.db2.gz GIYOENKARHSWRZ-INIZCTEOSA-N 1 0 285.391 2.107 10 30 CEEERO C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(Cl)c(Cl)c1 ZINC000181528621 260588217 /nfs/dbraw/zinc/58/82/17/260588217.db2.gz VOPIDTBNOFYWBU-MRVPVSSYSA-N 1 0 286.162 2.284 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C)ncc1C#N ZINC000399569670 266147973 /nfs/dbraw/zinc/14/79/73/266147973.db2.gz ICOLEZSEHDRLFP-AWEZNQCLSA-N 1 0 258.369 2.182 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c1 ZINC000398780041 268249108 /nfs/dbraw/zinc/24/91/08/268249108.db2.gz JTRGQGXJQJIKLZ-HRCADAONSA-N 1 0 256.349 2.151 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1c(C#N)cnc2ccccc21 ZINC000216211148 274385614 /nfs/dbraw/zinc/38/56/14/274385614.db2.gz VYWLAQAHAMUJBS-NEPJUHHUSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000229608405 274632339 /nfs/dbraw/zinc/63/23/39/274632339.db2.gz WXANXYGQXYNBHB-PRHODGIISA-N 1 0 251.280 2.389 10 30 CEEERO N#Cc1ccc(Cl)cc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261578781 274923390 /nfs/dbraw/zinc/92/33/90/274923390.db2.gz PBHNPRUUAJHMJX-DRZSPHRISA-N 1 0 261.756 2.385 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000382457358 321840147 /nfs/dbraw/zinc/84/01/47/321840147.db2.gz RSLKPPMFHYGDAK-MNOVXSKESA-N 1 0 267.336 2.041 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCc1ccc(C)nc1 ZINC000122017580 328388416 /nfs/dbraw/zinc/38/84/16/328388416.db2.gz CAHHSAFVXKEKTK-UHFFFAOYSA-N 1 0 284.363 2.463 10 30 CEEERO CCn1cnnc1[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000173877848 329153471 /nfs/dbraw/zinc/15/34/71/329153471.db2.gz NEBYWTLTOLFRJN-CYBMUJFWSA-N 1 0 293.440 2.124 10 30 CEEERO [NH2+]=C(NC[C@H]1CCC[C@@H](CO)C1)Nc1cc(F)ccc1F ZINC000262235982 330002259 /nfs/dbraw/zinc/00/22/59/330002259.db2.gz AIBUGRLHUVTODM-WDEREUQCSA-N 1 0 297.349 2.490 10 30 CEEERO [NH2+]=C(NCc1ccc2cc[nH]c2n1)NC1CCCCC1 ZINC000262311210 330005534 /nfs/dbraw/zinc/00/55/34/330005534.db2.gz PSZDXLHFGUBBDI-UHFFFAOYSA-N 1 0 271.368 2.300 10 30 CEEERO [NH2+]=C(Nc1cc(F)ccc1F)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000262316930 330005703 /nfs/dbraw/zinc/00/57/03/330005703.db2.gz URXWLRAONPWHQE-UFGOTCBOSA-N 1 0 281.306 2.259 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262350541 330007446 /nfs/dbraw/zinc/00/74/46/330007446.db2.gz FBLCNWUFQGJELS-LBPRGKRZSA-N 1 0 279.409 2.455 10 30 CEEERO COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@H](OC)C1(C)C ZINC000262443516 330013355 /nfs/dbraw/zinc/01/33/55/330013355.db2.gz UXYQYSGXVMIKCH-KGLIPLIRSA-N 1 0 291.395 2.373 10 30 CEEERO [NH2+]=C(NC[C@H]1CCCC[C@@H]1C(F)(F)F)N1CCOCC1 ZINC000262454863 330014120 /nfs/dbraw/zinc/01/41/20/330014120.db2.gz RLECMIYAJJTEMI-MNOVXSKESA-N 1 0 293.333 2.002 10 30 CEEERO CC[C@H](C)NC(=[NH2+])NC[C@H](O)c1ccc(Cl)s1 ZINC000262687835 330027246 /nfs/dbraw/zinc/02/72/46/330027246.db2.gz VJAXCWOITDYKFI-YUMQZZPRSA-N 1 0 275.805 2.138 10 30 CEEERO [NH2+]=C(N[C@H]1C[C@@H]1C(F)F)N[C@@H]1CCOc2ccccc21 ZINC000262763869 330030017 /nfs/dbraw/zinc/03/00/17/330030017.db2.gz GAZGSKMSRRLDCB-AXFHLTTASA-N 1 0 281.306 2.068 10 30 CEEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)NC1CCCCCC1 ZINC000262773456 330030542 /nfs/dbraw/zinc/03/05/42/330030542.db2.gz HVDVRLWVZVSITD-ZDUSSCGKSA-N 1 0 279.428 2.430 10 30 CEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])N1CCC1 ZINC000263062421 330041474 /nfs/dbraw/zinc/04/14/74/330041474.db2.gz FSGZTSYTIBJZOM-UHFFFAOYSA-N 1 0 256.353 2.007 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000185831477 333149805 /nfs/dbraw/zinc/14/98/05/333149805.db2.gz KMNBOBCRPPTTSV-MJBXVCDLSA-N 1 0 252.402 2.434 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616199 519739480 /nfs/dbraw/zinc/73/94/80/519739480.db2.gz GMFFVRIQBIIYPX-CVEARBPZSA-N 1 0 280.460 2.073 10 30 CEEERO C=C(Br)COc1ccc2c(c1)OC[C@@H]2[NH3+] ZINC000062803651 518585402 /nfs/dbraw/zinc/58/54/02/518585402.db2.gz FWBHJNHGPMVWGU-JTQLQIEISA-N 1 0 270.126 2.366 10 30 CEEERO CC(C)(C)[NH+]1CCN(C(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061614753 518710549 /nfs/dbraw/zinc/71/05/49/518710549.db2.gz PLGYZEMUZGZCAX-OAHLLOKOSA-N 1 0 285.391 2.236 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000062052704 518922663 /nfs/dbraw/zinc/92/26/63/518922663.db2.gz XGBFSXVIVSUQAR-NEPJUHHUSA-N 1 0 264.344 2.037 10 30 CEEERO CC(C)C[C@H](CN(C)C)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000049555488 519340926 /nfs/dbraw/zinc/34/09/26/519340926.db2.gz PACONORUCZZCDN-SJORKVTESA-N 1 0 289.423 2.158 10 30 CEEERO CC(C)C[NH+]1CCN([C@@H](C)C[C@@](C)(C#N)NC2CC2)CC1 ZINC000068615056 519727381 /nfs/dbraw/zinc/72/73/81/519727381.db2.gz VQJGSAXFMFVHDS-RDJZCZTQSA-N 1 0 292.471 2.073 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615235 519739142 /nfs/dbraw/zinc/73/91/42/519739142.db2.gz YSZIWSDAHVDJFI-XHSDSOJGSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613210 519739163 /nfs/dbraw/zinc/73/91/63/519739163.db2.gz UFSAITGYUNGBES-RDJZCZTQSA-N 1 0 294.487 2.461 10 30 CEEERO CCC[NH2+]CCCN(CCC#N)Cc1cccnc1 ZINC000048784483 519912500 /nfs/dbraw/zinc/91/25/00/519912500.db2.gz AKPZYGQMUOGNSS-UHFFFAOYSA-N 1 0 260.385 2.187 10 30 CEEERO CCC[NH2+]CCc1nnc(-c2cccc(C#N)c2)o1 ZINC000050619956 519919224 /nfs/dbraw/zinc/91/92/24/519919224.db2.gz GCSMRSVHQAXEKB-UHFFFAOYSA-N 1 0 256.309 2.150 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611648 520033858 /nfs/dbraw/zinc/03/38/58/520033858.db2.gz RSJMPDMXUGOXDI-JKSUJKDBSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000068613015 520128850 /nfs/dbraw/zinc/12/88/50/520128850.db2.gz KXIDTVWWRAATRQ-IJEWVQPXSA-N 1 0 281.444 2.404 10 30 CEEERO CC1CCC(N(C)C(=O)c2cncc(C#CC[NH3+])c2)CC1 ZINC000049629603 520934327 /nfs/dbraw/zinc/93/43/27/520934327.db2.gz RDSURHMAQCASBM-UHFFFAOYSA-N 1 0 285.391 2.043 10 30 CEEERO CCC[C@@]1(C(=O)Nc2cccc(OCC#N)c2)CC[NH2+]C1 ZINC000062893002 520944685 /nfs/dbraw/zinc/94/46/85/520944685.db2.gz PUSMHFNZNBUZEP-MRXNPFEDSA-N 1 0 287.363 2.307 10 30 CEEERO CCN(CC1CC1)C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000069263389 520954498 /nfs/dbraw/zinc/95/44/98/520954498.db2.gz QORVKLPFGPYWDU-UHFFFAOYSA-N 1 0 274.339 2.008 10 30 CEEERO CCC[N@H+](CC)Cc1ccc(OC)c(C#CCO)c1 ZINC000049617330 521615412 /nfs/dbraw/zinc/61/54/12/521615412.db2.gz LBOXLJPSXDRJRT-UHFFFAOYSA-N 1 0 261.365 2.271 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(CC[C@@](C)(C#N)NC(C)C)CC1 ZINC000055069992 522121899 /nfs/dbraw/zinc/12/18/99/522121899.db2.gz XQGUVBNWBRQTGK-CVEARBPZSA-N 1 0 280.460 2.073 10 30 CEEERO CC[C@H]([NH3+])Cc1c(C)nn(Cc2ccnc(C#N)c2)c1C ZINC000068760710 522332466 /nfs/dbraw/zinc/33/24/66/522332466.db2.gz COAGKRAXBUIGHW-AWEZNQCLSA-N 1 0 283.379 2.095 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccccc1Cl)n1cnc(C#N)n1 ZINC000061841989 522344241 /nfs/dbraw/zinc/34/42/41/522344241.db2.gz FWTDRFBLBCAARX-AAEUAGOBSA-N 1 0 275.743 2.130 10 30 CEEERO CC[C@H](NC(=O)c1cc(C#CC[NH3+])ccc1F)C(C)C ZINC000049148555 522522523 /nfs/dbraw/zinc/52/25/23/522522523.db2.gz WLHADLWBCWTAKI-HNNXBMFYSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C(C)C ZINC000049129711 522861741 /nfs/dbraw/zinc/86/17/41/522861741.db2.gz SHXXGGDFGLBPFD-LSDHHAIUSA-N 1 0 276.380 2.322 10 30 CEEERO CC[C@H]1CCC[N@@H+]1Cc1ccc(OC)c(C#CCO)c1 ZINC000049615148 523107382 /nfs/dbraw/zinc/10/73/82/523107382.db2.gz KGRCPKFGNITPFN-INIZCTEOSA-N 1 0 273.376 2.413 10 30 CEEERO C[N@H+](Cc1ccc(C#CCO)cc1F)[C@H]1CCSC1 ZINC000049617831 523208483 /nfs/dbraw/zinc/20/84/83/523208483.db2.gz ZALHEYDTUNVTKO-AWEZNQCLSA-N 1 0 279.380 2.107 10 30 CEEERO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C#CCO ZINC000049614682 523344825 /nfs/dbraw/zinc/34/48/25/523344825.db2.gz KFKVMCIQMFOQAG-YOEHRIQHSA-N 1 0 273.376 2.030 10 30 CEEERO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C#CCCO ZINC000049614660 523351151 /nfs/dbraw/zinc/35/11/51/523351151.db2.gz BVYMEQXENTWXCA-QAPCUYQASA-N 1 0 287.403 2.420 10 30 CEEERO CN(Cc1ccoc1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609741 523474392 /nfs/dbraw/zinc/47/43/92/523474392.db2.gz GPTMYKWWUXTKQZ-UHFFFAOYSA-N 1 0 272.323 2.361 10 30 CEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049614671 523509007 /nfs/dbraw/zinc/50/90/07/523509007.db2.gz HELKCHIDCVASGJ-MAUKXSAKSA-N 1 0 287.403 2.420 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)[C@@H](C)C(C)C ZINC000070125993 523516915 /nfs/dbraw/zinc/51/69/15/523516915.db2.gz KNCNDQXXPPBHQO-LBPRGKRZSA-N 1 0 274.364 2.236 10 30 CEEERO CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615575 523949156 /nfs/dbraw/zinc/94/91/56/523949156.db2.gz ATRZUSRFYAUKQM-GOEBONIOSA-N 1 0 285.391 2.236 10 30 CEEERO COCC[NH2+]Cc1c(OCC#N)ccc2ccccc21 ZINC000062732185 523949330 /nfs/dbraw/zinc/94/93/30/523949330.db2.gz JOLGDODVRCWHCF-UHFFFAOYSA-N 1 0 270.332 2.478 10 30 CEEERO CC[C@H](C)[NH+]1CCN(Cc2sccc2C#CCO)CC1 ZINC000055069367 523957039 /nfs/dbraw/zinc/95/70/39/523957039.db2.gz OBFROMVCJFTNIV-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO COc1ccc(C[NH2+]Cc2ccnc(C#N)c2)cc1 ZINC000068751406 524073459 /nfs/dbraw/zinc/07/34/59/524073459.db2.gz XOXAZYSTKKIHAQ-UHFFFAOYSA-N 1 0 253.305 2.252 10 30 CEEERO COc1ccc(CSc2nccn2C)cc1C#CC[NH3+] ZINC000049611271 524128377 /nfs/dbraw/zinc/12/83/77/524128377.db2.gz OOGWAPWFGQVARQ-UHFFFAOYSA-N 1 0 287.388 2.031 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@@H]2C[NH+](C)C)n1 ZINC000061645978 524214378 /nfs/dbraw/zinc/21/43/78/524214378.db2.gz BGBRSSALOFFOFH-CYBMUJFWSA-N 1 0 258.369 2.101 10 30 CEEERO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#CCO)C1 ZINC000049616075 524235577 /nfs/dbraw/zinc/23/55/77/524235577.db2.gz QNQNKLWPWGIVSY-CYBMUJFWSA-N 1 0 261.340 2.401 10 30 CEEERO Cc1cc(C[NH2+]CC(C)C)ccc1-n1cnc(C#N)n1 ZINC000062739014 524753678 /nfs/dbraw/zinc/75/36/78/524753678.db2.gz QNIHPYQAWCGLDY-UHFFFAOYSA-N 1 0 269.352 2.193 10 30 CEEERO C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000062855154 525158039 /nfs/dbraw/zinc/15/80/39/525158039.db2.gz FWUGELIUVUGKOC-LRDDRELGSA-N 1 0 271.364 2.125 10 30 CEEERO Cc1ccc(NC(=O)c2cncc(C#CC[NH3+])c2)cc1F ZINC000049629361 525254168 /nfs/dbraw/zinc/25/41/68/525254168.db2.gz ITPHZQHMLGDZEH-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO Cc1nn(CCOc2cccc(C#CC[NH3+])c2)c(C)c1C ZINC000049610244 526281302 /nfs/dbraw/zinc/28/13/02/526281302.db2.gz SBVJAQQRYGLXGV-UHFFFAOYSA-N 1 0 283.375 2.198 10 30 CEEERO [NH3+]CC#Cc1ccc(COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000049611124 527149622 /nfs/dbraw/zinc/14/96/22/527149622.db2.gz QNGXIHLIDLWZBQ-UHFFFAOYSA-N 1 0 282.299 2.484 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)[C@@H]2CCCCO2)c1 ZINC000061692029 527149984 /nfs/dbraw/zinc/14/99/84/527149984.db2.gz IBGBODYYAGSSIS-AWEZNQCLSA-N 1 0 292.766 2.158 10 30 CEEERO [NH3+]CC#Cc1cccc(COc2ccc(CO)cc2)c1 ZINC000049611148 527153581 /nfs/dbraw/zinc/15/35/81/527153581.db2.gz WBVGODJOJXHWJN-UHFFFAOYSA-N 1 0 267.328 2.068 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc(Cl)c(C#N)s1 ZINC000235618486 624750856 /nfs/dbraw/zinc/75/08/56/624750856.db2.gz DGMRFUDNIACNER-RQJHMYQMSA-N 1 0 256.762 2.221 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070171371 625070966 /nfs/dbraw/zinc/07/09/66/625070966.db2.gz LMTOXGJRSUIRJK-NSHDSACASA-N 1 0 274.324 2.032 10 30 CEEERO CC(C)C[C@H](C[NH3+])Nc1nc(Cl)c(C#N)s1 ZINC000232613744 629759808 /nfs/dbraw/zinc/75/98/08/629759808.db2.gz YCXNVGTXLSMEFS-SSDOTTSWSA-N 1 0 258.778 2.453 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000229608337 639710592 /nfs/dbraw/zinc/71/05/92/639710592.db2.gz WBOHCEFIADKQJG-RISCZKNCSA-N 1 0 270.380 2.384 10 30 CEEERO C#CCOc1ccccc1CN[C@H]1CCC[C@@H]1C#N ZINC000061891679 639728099 /nfs/dbraw/zinc/72/80/99/639728099.db2.gz MHVBVUZOTTVRDM-HIFRSBDPSA-N 1 0 254.333 2.480 10 30 CEEERO C#C[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123127621 648815921 /nfs/dbraw/zinc/81/59/21/648815921.db2.gz WEXLALXTIGAHAX-STQMWFEESA-N 1 0 266.385 2.245 10 30 CEEERO CC1(C)CN(c2nc3ccccc3cc2C#N)CC[NH2+]1 ZINC000212796570 652201517 /nfs/dbraw/zinc/20/15/17/652201517.db2.gz OGXHCLVKBBCLKS-UHFFFAOYSA-N 1 0 266.348 2.295 10 30 CEEERO CC[NH2+]CC1CCN(c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000130025239 652203740 /nfs/dbraw/zinc/20/37/40/652203740.db2.gz VFYONHCWJQGXPX-UHFFFAOYSA-N 1 0 288.351 2.292 10 30 CEEERO N#Cc1ccc(N2CCC[C@H](C[NH3+])C2)c(Br)c1 ZINC000214295617 652371959 /nfs/dbraw/zinc/37/19/59/652371959.db2.gz UWXBPOLOSGKEIV-LLVKDONJSA-N 1 0 294.196 2.496 10 30 CEEERO C#CCC[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000132265098 652508747 /nfs/dbraw/zinc/50/87/47/652508747.db2.gz FGUWZTRWUBHTMM-ZDUSSCGKSA-N 1 0 266.385 2.246 10 30 CEEERO SCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000034136065 361787604 /nfs/dbraw/zinc/78/76/04/361787604.db2.gz MRGJGOSAUFGMQF-UHFFFAOYSA-N 1 0 250.411 2.124 10 30 CEEERO C=CCCO[C@H](C)C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000125167217 187172882 /nfs/dbraw/zinc/17/28/82/187172882.db2.gz ZHAOJHDSLIALFD-GDBMZVCRSA-N 1 0 290.407 2.387 10 30 CEEERO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000125237874 187175856 /nfs/dbraw/zinc/17/58/56/187175856.db2.gz YPDKXCBIBORESX-JKSUJKDBSA-N 1 0 289.423 2.451 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040447366 361994558 /nfs/dbraw/zinc/99/45/58/361994558.db2.gz JXQHYWXZUUHXCJ-RYUDHWBXSA-N 1 0 292.379 2.045 10 30 CEEERO C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000127846317 187336779 /nfs/dbraw/zinc/33/67/79/187336779.db2.gz GAZLGBSHBMRHBZ-MNOVXSKESA-N 1 0 274.324 2.266 10 30 CEEERO N#Cc1cccc(NC[C@@H]2CCCC[NH2+]2)c1[N+](=O)[O-] ZINC000126617716 344325474 /nfs/dbraw/zinc/32/54/74/344325474.db2.gz PGXFNXKXQUKLKI-NSHDSACASA-N 1 0 260.297 2.020 10 30 CEEERO N#Cc1cccc(N2CCC(CC[NH3+])CC2)c1[N+](=O)[O-] ZINC000126636985 344325504 /nfs/dbraw/zinc/32/55/04/344325504.db2.gz QQTYHSMLUGQSBB-UHFFFAOYSA-N 1 0 274.324 2.032 10 30 CEEERO C#C[C@@H]([NH2+]C)c1cccc(I)c1 ZINC000130267371 344351532 /nfs/dbraw/zinc/35/15/32/344351532.db2.gz VKQLYRJOUHHOFE-SNVBAGLBSA-N 1 0 271.101 2.185 10 30 CEEERO CC[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000122918667 344308169 /nfs/dbraw/zinc/30/81/69/344308169.db2.gz AKVNTQXTDAYQIZ-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO Cc1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)cc1C#N ZINC000312806633 344740409 /nfs/dbraw/zinc/74/04/09/344740409.db2.gz LCDCGLIXQZFCBG-TXEJJXNPSA-N 1 0 290.798 2.351 10 30 CEEERO C[C@@H]([NH2+]CC1(O)CCSCC1)c1ccc(C#N)cc1 ZINC000305765803 344710900 /nfs/dbraw/zinc/71/09/00/344710900.db2.gz FDLLXRGLJQVLPZ-GFCCVEGCSA-N 1 0 276.405 2.467 10 30 CEEERO Cc1sc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c(C#N)c1C ZINC000085372017 179041737 /nfs/dbraw/zinc/04/17/37/179041737.db2.gz OJDJOAVUPTXCMA-KOLCDFICSA-N 1 0 263.366 2.303 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1nc(C)c(C#N)cc1Cl ZINC000600951980 346715587 /nfs/dbraw/zinc/71/55/87/346715587.db2.gz PSGHRCMXTDUFLI-NWDGAFQWSA-N 1 0 264.760 2.468 10 30 CEEERO C[C@H]1CC[C@@H](Nc2c(C#N)nnc3ccccc32)C[NH2+]1 ZINC000600955482 346716882 /nfs/dbraw/zinc/71/68/82/346716882.db2.gz NKJTUPWSNFMMRZ-WDEREUQCSA-N 1 0 267.336 2.054 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2ncc(Br)cc2C#N)C[NH2+]1 ZINC000600955491 346716960 /nfs/dbraw/zinc/71/69/60/346716960.db2.gz NLVRITFKOKNLHV-LDYMZIIASA-N 1 0 295.184 2.268 10 30 CEEERO CC[N@@H+]1CCC[C@H](Nc2c(C#N)nnc3ccccc32)C1 ZINC000085920128 179199795 /nfs/dbraw/zinc/19/97/95/179199795.db2.gz VDMQNVLFIXZBDY-LBPRGKRZSA-N 1 0 281.363 2.398 10 30 CEEERO N#Cc1nnc2ccccc2c1NCCC[NH2+]C1CC1 ZINC000085920727 179200129 /nfs/dbraw/zinc/20/01/29/179200129.db2.gz XCMKAELXNCUTQQ-UHFFFAOYSA-N 1 0 267.336 2.055 10 30 CEEERO Cc1cc(C#N)ccc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000129745581 365892087 /nfs/dbraw/zinc/89/20/87/365892087.db2.gz SFMHJYGYFSHLFH-BBRMVZONSA-N 1 0 285.391 2.325 10 30 CEEERO COC[C@@H]([NH2+]Cc1ccccc1OCC#N)C(C)C ZINC000086696916 179320805 /nfs/dbraw/zinc/32/08/05/179320805.db2.gz AVPCFGOEHAJECZ-CQSZACIVSA-N 1 0 262.353 2.350 10 30 CEEERO C[N@@H+]1CCC[C@H](Nc2ccc(OCC#N)cc2)CC1 ZINC000086817283 179344479 /nfs/dbraw/zinc/34/44/79/179344479.db2.gz IUGVHFWVTIBPMF-ZDUSSCGKSA-N 1 0 259.353 2.485 10 30 CEEERO C[C@@H]([NH3+])CCC[C@@H](C)C(=O)N(CCC#N)C1CC1 ZINC000087697647 179472136 /nfs/dbraw/zinc/47/21/36/179472136.db2.gz YKLJPLJGKDNREI-VXGBXAGGSA-N 1 0 251.374 2.045 10 30 CEEERO [NH3+]CC#Cc1ccsc1C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000087782379 179485548 /nfs/dbraw/zinc/48/55/48/179485548.db2.gz VLWWKZUHTBQLIU-JSGCOSHPSA-N 1 0 288.416 2.463 10 30 CEEERO N#Cc1ccc([C@@H]2c3ccccc3CC[N@H+]2CCO)cc1 ZINC000616679264 348558237 /nfs/dbraw/zinc/55/82/37/348558237.db2.gz QXZPCSABUXQIJD-GOSISDBHSA-N 1 0 278.355 2.498 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089393683 179779382 /nfs/dbraw/zinc/77/93/82/179779382.db2.gz NSWOPNLZGWEVBY-HZPDHXFCSA-N 1 0 285.391 2.304 10 30 CEEERO N#CCc1nc2ccccc2n1CC1CC[NH2+]CC1 ZINC000104338673 185974752 /nfs/dbraw/zinc/97/47/52/185974752.db2.gz SJMPEWFPIYRVDY-UHFFFAOYSA-N 1 0 254.337 2.102 10 30 CEEERO [NH3+]CC#Cc1ccc(CNC(=O)[C@@H]2Cc3ccccc32)s1 ZINC000090985727 180080754 /nfs/dbraw/zinc/08/07/54/180080754.db2.gz JVDGFUBMIDSLDA-MRXNPFEDSA-N 1 0 296.395 2.014 10 30 CEEERO CC[C@H]([NH3+])Cc1cccn1Cc1ccnc(C#N)c1 ZINC000091005557 180084766 /nfs/dbraw/zinc/08/47/66/180084766.db2.gz KJGKUGMOUUPQOT-ZDUSSCGKSA-N 1 0 254.337 2.083 10 30 CEEERO CC1(C)C(C(=O)NCc2ccccc2C#CC[NH3+])C1(C)C ZINC000091493002 180170843 /nfs/dbraw/zinc/17/08/43/180170843.db2.gz FIUXAPMZARNVFS-UHFFFAOYSA-N 1 0 284.403 2.295 10 30 CEEERO Cc1cc(F)cc(NC(=O)c2ccc(C#CC[NH3+])cn2)c1 ZINC000091517621 180177323 /nfs/dbraw/zinc/17/73/23/180177323.db2.gz XKHRLUVHXYVVQF-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO N#Cc1c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)sc2c1CCC2 ZINC000091546441 180187152 /nfs/dbraw/zinc/18/71/52/180187152.db2.gz QZDUOWVJWAUAOA-IUCAKERBSA-N 1 0 275.377 2.174 10 30 CEEERO C[N@H+](Cc1ccnc(C#N)c1)C1CCC2(CC1)OCCO2 ZINC000091853779 180273863 /nfs/dbraw/zinc/27/38/63/180273863.db2.gz IHALJFKCPXKQJH-UHFFFAOYSA-N 1 0 287.363 2.071 10 30 CEEERO N#C[C@]1([C@@]2(O)CC[N@@H+](C3CC3)C2)CCCc2ccccc21 ZINC000091878849 180279075 /nfs/dbraw/zinc/27/90/75/180279075.db2.gz LNEVBSZVCBXVQM-QZTJIDSGSA-N 1 0 282.387 2.383 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])cc1)C(=O)N1CCCCC1 ZINC000091969681 180295193 /nfs/dbraw/zinc/29/51/93/180295193.db2.gz UDRZQIDBOOZAQU-UHFFFAOYSA-N 1 0 285.391 2.035 10 30 CEEERO C[C@H]1CCCN(C(=O)Nc2cccc(C#CC[NH3+])c2)C1 ZINC000091992422 180300542 /nfs/dbraw/zinc/30/05/42/180300542.db2.gz KELUKRRCIUCDHX-ZDUSSCGKSA-N 1 0 271.364 2.261 10 30 CEEERO CC1CCN(C(=O)Nc2ccccc2C#CC[NH3+])CC1 ZINC000091992406 180300626 /nfs/dbraw/zinc/30/06/26/180300626.db2.gz CGNJTSWFVADDJS-UHFFFAOYSA-N 1 0 271.364 2.261 10 30 CEEERO N#CCCCC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105805947 186073060 /nfs/dbraw/zinc/07/30/60/186073060.db2.gz CIKONKHCZRCWKX-UHFFFAOYSA-N 1 0 259.357 2.047 10 30 CEEERO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202435 180342698 /nfs/dbraw/zinc/34/26/98/180342698.db2.gz USVBMSSSPWELFX-DGCLKSJQSA-N 1 0 269.348 2.330 10 30 CEEERO C=CCn1c(C)[nH+]c(-c2ccc3c(c2)OCCO3)c1N ZINC000106832536 186137987 /nfs/dbraw/zinc/13/79/87/186137987.db2.gz QUPDSZSDJXYCQT-UHFFFAOYSA-N 1 0 271.320 2.398 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(Cl)c1N(C)C ZINC000092473690 180392757 /nfs/dbraw/zinc/39/27/57/180392757.db2.gz PKBMSRQUDVFOGM-UHFFFAOYSA-N 1 0 267.760 2.120 10 30 CEEERO C=CC[NH2+]CC(=O)N(CC)Cc1ccccc1Cl ZINC000092474687 180393939 /nfs/dbraw/zinc/39/39/39/180393939.db2.gz UBROYYNYXVBSTO-UHFFFAOYSA-N 1 0 266.772 2.464 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000092474590 180393983 /nfs/dbraw/zinc/39/39/83/180393983.db2.gz UHEFLSFAMMIVFV-OAHLLOKOSA-N 1 0 274.364 2.134 10 30 CEEERO CC[NH+](CC)CCn1c2ccccc2nc1CC#N ZINC000110950147 186335662 /nfs/dbraw/zinc/33/56/62/186335662.db2.gz RLECTGJPNVNRRK-UHFFFAOYSA-N 1 0 256.353 2.444 10 30 CEEERO [NH3+]CC#Cc1cccc(COc2ccccc2CO)c1 ZINC000110994476 186340675 /nfs/dbraw/zinc/34/06/75/186340675.db2.gz NDEQDXQFBGSAHA-UHFFFAOYSA-N 1 0 267.328 2.068 10 30 CEEERO N#CCOc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000111157886 186362979 /nfs/dbraw/zinc/36/29/79/186362979.db2.gz BXDQYTAJNCUUDY-UHFFFAOYSA-N 1 0 260.337 2.105 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2C)C1 ZINC000069606456 362984364 /nfs/dbraw/zinc/98/43/64/362984364.db2.gz WYMMDMVDQOUXCG-CQSZACIVSA-N 1 0 286.379 2.473 10 30 CEEERO Cc1ccc2c(ncc(C#N)c2N2CC[NH2+]CC2)c1C ZINC000072237030 363122563 /nfs/dbraw/zinc/12/25/63/363122563.db2.gz PSFALGATIDWWLM-UHFFFAOYSA-N 1 0 266.348 2.133 10 30 CEEERO CCC[C@H](C(=O)Nc1ccc(F)c(C#N)c1)[NH+](C)C ZINC000133041348 187661711 /nfs/dbraw/zinc/66/17/11/187661711.db2.gz XVQLJYNYEKEEJT-CYBMUJFWSA-N 1 0 263.316 2.366 10 30 CEEERO C=CCCC[C@@H](C[NH2+]CCOC)NC(=O)OC(C)(C)C ZINC000675050997 540062790 /nfs/dbraw/zinc/06/27/90/540062790.db2.gz GDVORUGRCPMWMT-ZDUSSCGKSA-N 1 0 286.416 2.472 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C1)CCC2 ZINC000228551241 283117144 /nfs/dbraw/zinc/11/71/44/283117144.db2.gz RNVVLWUQAXQXGF-NWANDNLSSA-N 1 0 282.391 2.006 10 30 CEEERO N#Cc1ccc([C@@H]([NH3+])[C@@H](N)c2ccc(C#N)cc2)cc1 ZINC000039192885 283186177 /nfs/dbraw/zinc/18/61/77/283186177.db2.gz MESREGXFTNLKRB-IYBDPMFKSA-N 1 0 262.316 2.130 10 30 CEEERO Cc1cc(NCCC(=O)OC(C)C)c(C#N)c(C)n1 ZINC000301759308 201179414 /nfs/dbraw/zinc/17/94/14/201179414.db2.gz FJNADRMYPYNFAK-UHFFFAOYSA-N 1 0 261.325 2.324 10 30 CEEERO N#Cc1ccc(N2CCC(OCCC[NH3+])CC2)c(F)c1 ZINC000094073170 364250420 /nfs/dbraw/zinc/25/04/20/364250420.db2.gz QNKMLGOZCKACJL-UHFFFAOYSA-N 1 0 277.343 2.032 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NCC1CC[NH2+]CC1 ZINC000094337350 364266023 /nfs/dbraw/zinc/26/60/23/364266023.db2.gz WQZWLEMCPOQWHM-UHFFFAOYSA-N 1 0 284.285 2.384 10 30 CEEERO CC(C)[C@@H]([NH3+])CNc1nc(C(F)(F)F)ccc1C#N ZINC000094337503 364266399 /nfs/dbraw/zinc/26/63/99/364266399.db2.gz DMXOBQLEEHOZPX-VIFPVBQESA-N 1 0 272.274 2.367 10 30 CEEERO C[C@@H](Nc1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000094592178 364281834 /nfs/dbraw/zinc/28/18/34/364281834.db2.gz RRRNBCCMQQTVOJ-ZYHUDNBSSA-N 1 0 274.324 2.266 10 30 CEEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOCC(F)(F)F ZINC000111638624 364748807 /nfs/dbraw/zinc/74/88/07/364748807.db2.gz AZAAUVCTAROVKG-VHSXEESVSA-N 1 0 250.264 2.237 10 30 CEEERO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000120673924 365459268 /nfs/dbraw/zinc/45/92/68/365459268.db2.gz VYVYWIYXZMVQAH-AWEZNQCLSA-N 1 0 296.374 2.290 10 30 CEEERO CC[C@H]1CN(Cc2ccc(C#N)s2)CC[N@@H+]1CCOC ZINC000120959567 365502216 /nfs/dbraw/zinc/50/22/16/365502216.db2.gz ZSISEHHXCRKKFD-ZDUSSCGKSA-N 1 0 293.436 2.162 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000229600029 189800422 /nfs/dbraw/zinc/80/04/22/189800422.db2.gz LNKRALAECPPZGC-JOYOIKCWSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000192025993 369765675 /nfs/dbraw/zinc/76/56/75/369765675.db2.gz LMMYVYXAQWBPCQ-IUODEOHRSA-N 1 0 273.355 2.366 10 30 CEEERO C[C@@H]1C[C@@H](C[NH2+]Cc2nc(C#N)cs2)C[C@H](C)O1 ZINC000352893375 369936867 /nfs/dbraw/zinc/93/68/67/369936867.db2.gz LNKOXSNXMMRFNK-JGPRNRPPSA-N 1 0 265.382 2.308 10 30 CEEERO CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000246859578 371021716 /nfs/dbraw/zinc/02/17/16/371021716.db2.gz FOOSOWDAPRLCOZ-BXUZGUMPSA-N 1 0 263.410 2.438 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000248614251 371222581 /nfs/dbraw/zinc/22/25/81/371222581.db2.gz HVGGLIKRKLKRNS-IHRRRGAJSA-N 1 0 250.386 2.284 10 30 CEEERO C[C@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000251573337 371407685 /nfs/dbraw/zinc/40/76/85/371407685.db2.gz ATUUWLGWXYYHBA-HZMBPMFUSA-N 1 0 274.324 2.030 10 30 CEEERO Cc1nc(N2CCC(C[NH3+])CC2)c(Cl)cc1C#N ZINC000261564692 371650057 /nfs/dbraw/zinc/65/00/57/371650057.db2.gz HJLVLKQBXVMUMV-UHFFFAOYSA-N 1 0 264.760 2.090 10 30 CEEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(CC)C1 ZINC000389522141 375305267 /nfs/dbraw/zinc/30/52/67/375305267.db2.gz HDSWSSIKMXYPJC-OAHLLOKOSA-N 1 0 260.381 2.435 10 30 CEEERO CC(C)[NH2+]CCCOC(=O)Nc1cccc(C#N)c1 ZINC000092743418 184624271 /nfs/dbraw/zinc/62/42/71/184624271.db2.gz RXENCFPZMHJBEE-UHFFFAOYSA-N 1 0 261.325 2.495 10 30 CEEERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1nc(C(F)(F)F)ccc1C#N ZINC000094337577 184783385 /nfs/dbraw/zinc/78/33/85/184783385.db2.gz DUUPZCPAZCYKFE-IEBDPFPHSA-N 1 0 296.296 2.016 10 30 CEEERO N#CC1CC[NH+]([C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000094375671 184791239 /nfs/dbraw/zinc/79/12/39/184791239.db2.gz JBLRYVWWMMFNMB-KBPBESRZSA-N 1 0 266.410 2.277 10 30 CEEERO C[C@]1(C[NH2+]Cc2ccc(OCC#N)cc2)CCCO1 ZINC000094797109 184866573 /nfs/dbraw/zinc/86/65/73/184866573.db2.gz KSLCZEKTEBNUMX-OAHLLOKOSA-N 1 0 260.337 2.248 10 30 CEEERO CCc1nnc(N2CC[C@@H]([N@@H+](C)CC)C2)c(C#N)c1CC ZINC000302757821 394476905 /nfs/dbraw/zinc/47/69/05/394476905.db2.gz JCCQFOQHXGTXRG-GFCCVEGCSA-N 1 0 287.411 2.003 10 30 CEEERO C=CCOc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000237916157 394493702 /nfs/dbraw/zinc/49/37/02/394493702.db2.gz FMPSRGJJXGGHDB-ZFWWWQNUSA-N 1 0 288.391 2.385 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)cc1 ZINC000246798699 394521776 /nfs/dbraw/zinc/52/17/76/394521776.db2.gz BTPOFVVQCLLREZ-CJNGLKHVSA-N 1 0 255.365 2.227 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(F)c1 ZINC000261578372 394602646 /nfs/dbraw/zinc/60/26/46/394602646.db2.gz DFSFNEJFOIGEHU-CWSCBRNRSA-N 1 0 263.291 2.010 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000083629917 394640607 /nfs/dbraw/zinc/64/06/07/394640607.db2.gz UXEZJSJWJUJKJV-LLVKDONJSA-N 1 0 296.296 2.256 10 30 CEEERO CC(C)(C#N)CCC[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000174848533 395128845 /nfs/dbraw/zinc/12/88/45/395128845.db2.gz ZWRDJAPDORUAFY-UHFFFAOYSA-N 1 0 287.411 2.319 10 30 CEEERO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000188305939 395314475 /nfs/dbraw/zinc/31/44/75/395314475.db2.gz DEKCTPHWDGVODO-LRDDRELGSA-N 1 0 271.364 2.220 10 30 CEEERO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000533081572 395461150 /nfs/dbraw/zinc/46/11/50/395461150.db2.gz FNUDZDMEZWKVED-UKRRQHHQSA-N 1 0 269.348 2.371 10 30 CEEERO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1ccc(C#N)cc1)CC2 ZINC000195404932 395465525 /nfs/dbraw/zinc/46/55/25/395465525.db2.gz ASHDBOSGOWJXPD-OAHLLOKOSA-N 1 0 295.390 2.378 10 30 CEEERO C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000235349438 296564484 /nfs/dbraw/zinc/56/44/84/296564484.db2.gz QQNNWNWMCZMPGE-ZYHUDNBSSA-N 1 0 274.324 2.030 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)cc1)n1cnc(C#N)n1 ZINC000061841770 522649331 /nfs/dbraw/zinc/64/93/31/522649331.db2.gz IJIHOLYLDROOPU-DGCLKSJQSA-N 1 0 275.743 2.130 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(C#N)c1F ZINC000223541179 153317657 /nfs/dbraw/zinc/31/76/57/153317657.db2.gz DNPADSNCUDKDJS-IUODEOHRSA-N 1 0 273.355 2.366 10 30 CEEERO N#Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000131803666 162299418 /nfs/dbraw/zinc/29/94/18/162299418.db2.gz SIGTYRBIYTYPQD-BXKDBHETSA-N 1 0 260.297 2.006 10 30 CEEERO N#Cc1c(Br)cccc1NC[C@@H]1CCC[NH2+]1 ZINC000165076446 162341582 /nfs/dbraw/zinc/34/15/82/162341582.db2.gz OJPAKJNTHDWWLC-VIFPVBQESA-N 1 0 280.169 2.485 10 30 CEEERO N#Cc1cc(Br)ccc1N1CC[C@@H](C[NH3+])C1 ZINC000165299778 162344030 /nfs/dbraw/zinc/34/40/30/162344030.db2.gz MSSXMHVXXUBSFW-VIFPVBQESA-N 1 0 280.169 2.106 10 30 CEEERO CC[C@@H]([NH3+])CNc1ccc(Br)cc1C#N ZINC000165304758 162343894 /nfs/dbraw/zinc/34/38/94/162343894.db2.gz OFDHNXVJOSDHFZ-SNVBAGLBSA-N 1 0 268.158 2.470 10 30 CEEERO CC(C)CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000037984727 173945974 /nfs/dbraw/zinc/94/59/74/173945974.db2.gz OOQHDXULQIRORV-OAHLLOKOSA-N 1 0 276.380 2.324 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnnn1C(C)C ZINC000661117101 415103486 /nfs/dbraw/zinc/10/34/86/415103486.db2.gz OHXIQLIBPZXGTA-CHWSQXEVSA-N 1 0 263.389 2.479 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CN(C)CCO1 ZINC000657911404 415122417 /nfs/dbraw/zinc/12/24/17/415122417.db2.gz DRZDGKWQEPNDIC-RBSFLKMASA-N 1 0 252.402 2.042 10 30 CEEERO C[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355395 175023114 /nfs/dbraw/zinc/02/31/14/175023114.db2.gz SNEPINAENIXPIA-XHDPSFHLSA-N 1 0 253.305 2.421 10 30 CEEERO C[N@H+](Cc1ccc(C#CCO)s1)[C@@H]1CCSC1 ZINC000043679524 175090278 /nfs/dbraw/zinc/09/02/78/175090278.db2.gz WCCJOLDQJMQFFV-LLVKDONJSA-N 1 0 267.419 2.029 10 30 CEEERO CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(C#CC[NH3+])s1 ZINC000043683978 175091792 /nfs/dbraw/zinc/09/17/92/175091792.db2.gz IEEANJQYYGGUBS-QWHCGFSZSA-N 1 0 278.421 2.058 10 30 CEEERO [NH3+]CC#Cc1csc(Cn2cnc3ccccc32)c1 ZINC000043689181 175096310 /nfs/dbraw/zinc/09/63/10/175096310.db2.gz JGZRBCYPLNVOIG-UHFFFAOYSA-N 1 0 267.357 2.456 10 30 CEEERO CC[N@H+](CCCc1ccccc1)C[C@H](C)/C(N)=N/O ZINC000044413189 175172485 /nfs/dbraw/zinc/17/24/85/175172485.db2.gz FRUCDJGMAYITDI-ZDUSSCGKSA-N 1 0 263.385 2.324 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745138 175241645 /nfs/dbraw/zinc/24/16/45/175241645.db2.gz FXKRKAJYIBBUOD-MLGOLLRUSA-N 1 0 288.391 2.353 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C#N)CCCCCC1 ZINC000044765061 175248769 /nfs/dbraw/zinc/24/87/69/175248769.db2.gz MAYOVERADSZMCF-AWEZNQCLSA-N 1 0 277.412 2.451 10 30 CEEERO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(N)cc2C#N)C1 ZINC000045118745 175311570 /nfs/dbraw/zinc/31/15/70/175311570.db2.gz PQXPJBFHWBSFLF-LBPRGKRZSA-N 1 0 258.369 2.283 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](CCOC)[C@@H](C)CC ZINC000045182718 175325361 /nfs/dbraw/zinc/32/53/61/175325361.db2.gz PNZJPMTXGNOSDK-GJZGRUSLSA-N 1 0 269.433 2.405 10 30 CEEERO CC[C@@H](C)[N@H+](CCC[C@@](C)(C#N)NC)CCOC ZINC000045317882 175359423 /nfs/dbraw/zinc/35/94/23/175359423.db2.gz GNGHBMIWUNWOPE-KGLIPLIRSA-N 1 0 255.406 2.015 10 30 CEEERO CCC[NH2+][C@H](C)c1ccc(-n2cnc(C#N)n2)c(F)c1 ZINC000061842265 175656264 /nfs/dbraw/zinc/65/62/64/175656264.db2.gz XVYBBCNINFZSNB-SNVBAGLBSA-N 1 0 273.315 2.339 10 30 CEEERO C[C@@H]1CCC[C@H]1NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000071210987 176083408 /nfs/dbraw/zinc/08/34/08/176083408.db2.gz GDFJAARMPILHHX-IAQYHMDHSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccc(F)cc1)N(CCC#N)CCOC ZINC000071221864 176087522 /nfs/dbraw/zinc/08/75/22/176087522.db2.gz RRXQVHWPOIFUTE-JKSUJKDBSA-N 1 0 293.386 2.466 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1cccs1)N(CCC#N)CCOC ZINC000071222511 176087955 /nfs/dbraw/zinc/08/79/55/176087955.db2.gz GCXPFHYODXMGDR-JSGCOSHPSA-N 1 0 281.425 2.389 10 30 CEEERO C=CCNC(=O)COc1ccc(C)cc1C[NH2+]CCC ZINC000071406291 176155707 /nfs/dbraw/zinc/15/57/07/176155707.db2.gz RIYVIJKPQGRHEU-UHFFFAOYSA-N 1 0 276.380 2.176 10 30 CEEERO C#CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]C(C)C ZINC000071406537 176155915 /nfs/dbraw/zinc/15/59/15/176155915.db2.gz KHERWKQSSNUTHT-CQSZACIVSA-N 1 0 288.391 2.010 10 30 CEEERO CCC[C@H](CC[NH3+])CCC(=O)N(CCC#N)CCC#N ZINC000079238824 177453567 /nfs/dbraw/zinc/45/35/67/177453567.db2.gz IZAOFDSQGGIWPS-AWEZNQCLSA-N 1 0 278.400 2.188 10 30 CEEERO CCC[C@@H](CC[NH3+])CCC(=O)N(C)C[C@H](C)C#N ZINC000079238736 177453726 /nfs/dbraw/zinc/45/37/26/177453726.db2.gz WGRPSXOOJUKXSO-CHWSQXEVSA-N 1 0 253.390 2.150 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000252962369 274375591 /nfs/dbraw/zinc/37/55/91/274375591.db2.gz OYDCXCHXAJWDBL-RISCZKNCSA-N 1 0 286.335 2.139 10 30 CEEERO C[C@@]1(C[NH3+])CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000261717314 274450358 /nfs/dbraw/zinc/45/03/58/274450358.db2.gz JYFUEKGBDUYGRX-INIZCTEOSA-N 1 0 266.348 2.282 10 30 CEEERO N#Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc2ccccc12 ZINC000156383550 274920690 /nfs/dbraw/zinc/92/06/90/274920690.db2.gz BBMWDMLMKWIEKH-KGLIPLIRSA-N 1 0 278.359 2.437 10 30 CEEERO Cc1nccc(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000330100079 279164104 /nfs/dbraw/zinc/16/41/04/279164104.db2.gz DPLAOFDFDQKSKQ-LBPRGKRZSA-N 1 0 291.399 2.375 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000040447369 327907191 /nfs/dbraw/zinc/90/71/91/327907191.db2.gz JXQHYWXZUUHXCJ-NWDGAFQWSA-N 1 0 292.379 2.045 10 30 CEEERO N#Cc1cccc(N[C@H]2CCC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382443185 321840095 /nfs/dbraw/zinc/84/00/95/321840095.db2.gz HGXSKFWTSDSLIJ-QWRGUYRKSA-N 1 0 260.297 2.148 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382480735 321840553 /nfs/dbraw/zinc/84/05/53/321840553.db2.gz WLZWHAKDSNDXGS-GXSJLCMTSA-N 1 0 260.297 2.006 10 30 CEEERO C=CCOCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000175010586 329162209 /nfs/dbraw/zinc/16/22/09/329162209.db2.gz UQQATIUVNCBMSK-LSDHHAIUSA-N 1 0 280.412 2.054 10 30 CEEERO C=CCCO[C@H](C)C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000175046399 329162315 /nfs/dbraw/zinc/16/23/15/329162315.db2.gz BMVMHGDBIKVVJC-QLFBSQMISA-N 1 0 280.412 2.053 10 30 CEEERO C=CCC1(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)CCC1 ZINC000188342692 329366207 /nfs/dbraw/zinc/36/62/07/329366207.db2.gz OLXYFZNKNMOJDL-CABCVRRESA-N 1 0 294.439 2.036 10 30 CEEERO CC[NH+]=C(NCc1nnc(C(C)C)s1)N[C@@H]1C[C@H]1C ZINC000261819816 329985331 /nfs/dbraw/zinc/98/53/31/329985331.db2.gz UHQXKESOHSXYQJ-NXEZZACHSA-N 1 0 281.429 2.125 10 30 CEEERO [NH2+]=C(NC[C@@H](O)c1cccc(Cl)c1)NCC1CCC1 ZINC000262003706 329996413 /nfs/dbraw/zinc/99/64/13/329996413.db2.gz QNDIMLCVYZBSBC-CYBMUJFWSA-N 1 0 281.787 2.078 10 30 CEEERO [NH2+]=C(NCc1ccc2cc[nH]c2n1)N1CCCCCC1 ZINC000262305662 330005249 /nfs/dbraw/zinc/00/52/49/330005249.db2.gz OQIWCGURVZVICP-UHFFFAOYSA-N 1 0 271.368 2.254 10 30 CEEERO CN(C)C(=[NH2+])N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000262452628 330013956 /nfs/dbraw/zinc/01/39/56/330013956.db2.gz KDFLGGBVFABEMN-WDEREUQCSA-N 1 0 269.295 2.020 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=[NH2+])NC(C)(C)C ZINC000262507281 330018786 /nfs/dbraw/zinc/01/87/86/330018786.db2.gz BSLJGMZCJJIHAF-XJKSGUPXSA-N 1 0 275.396 2.428 10 30 CEEERO CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)NC(C)C ZINC000262537737 330020159 /nfs/dbraw/zinc/02/01/59/330020159.db2.gz KIUXCBOXDOJTOG-UHFFFAOYSA-N 1 0 295.358 2.156 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@]1(C)c1ccccc1OC)N1CCCC1 ZINC000262642414 330024103 /nfs/dbraw/zinc/02/41/03/330024103.db2.gz HQFLNHHWNCXLKS-NVXWUHKLSA-N 1 0 287.407 2.396 10 30 CEEERO CC[C@@H](C)NC(=[NH2+])NC[C@H](O)c1ccc(Cl)s1 ZINC000262687832 330027253 /nfs/dbraw/zinc/02/72/53/330027253.db2.gz VJAXCWOITDYKFI-SFYZADRCSA-N 1 0 275.805 2.138 10 30 CEEERO CN1CCC[NH+]=C1N[C@H]1COc2cccc(Cl)c21 ZINC000263044775 330040455 /nfs/dbraw/zinc/04/04/55/330040455.db2.gz CUHTXYWTCDGZDP-JTQLQIEISA-N 1 0 265.744 2.055 10 30 CEEERO C=CCC[C@H](C)[NH2+]C1CC([N@@H+](CC(=O)[O-])CC2CC2)C1 ZINC000263516018 330058691 /nfs/dbraw/zinc/05/86/91/330058691.db2.gz OSHFQIPKYCPMEZ-GRTSSRMGSA-N 1 0 280.412 2.258 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCc2ccccc21 ZINC000424078654 330221291 /nfs/dbraw/zinc/22/12/91/330221291.db2.gz QEWIISQKWDYRCI-GJZGRUSLSA-N 1 0 271.364 2.201 10 30 CEEERO C#CCN(C)CCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000328048872 330290375 /nfs/dbraw/zinc/29/03/75/330290375.db2.gz YWDSBKGAHMIEBZ-CYBMUJFWSA-N 1 0 276.428 2.126 10 30 CEEERO CCCCCC(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586269 519933253 /nfs/dbraw/zinc/93/32/53/519933253.db2.gz JMRPSJHKWXWADK-UHFFFAOYSA-N 1 0 258.365 2.193 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[NH+](CCC)CC1 ZINC000068611235 520103207 /nfs/dbraw/zinc/10/32/07/520103207.db2.gz OBFAVQCOMIJCPD-HOTGVXAUSA-N 1 0 280.460 2.074 10 30 CEEERO CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000049105804 522293268 /nfs/dbraw/zinc/29/32/68/522293268.db2.gz OURHGXIECODPOQ-VXGBXAGGSA-N 1 0 276.355 2.300 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC([C@H](C)[NH3+])CC2)n1 ZINC000110651702 518186706 /nfs/dbraw/zinc/18/67/06/518186706.db2.gz SUWGFIXLCOWMHY-LBPRGKRZSA-N 1 0 258.369 2.134 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@@H]([NH3+])CCOC ZINC000052808052 519079421 /nfs/dbraw/zinc/07/94/21/519079421.db2.gz LWHUVYQAPBLCFO-NSHDSACASA-N 1 0 280.393 2.267 10 30 CEEERO CC(C)CC(=O)N[C@H](C)c1ccc(C#CC[NH3+])cc1 ZINC000049586735 519602493 /nfs/dbraw/zinc/60/24/93/519602493.db2.gz MXVRHWCYYXFIET-CYBMUJFWSA-N 1 0 258.365 2.220 10 30 CEEERO CC(C)C[NH+]1CCN([C@H](C)C[C@@](C)(C#N)NC2CC2)CC1 ZINC000068615063 519727798 /nfs/dbraw/zinc/72/77/98/519727798.db2.gz VQJGSAXFMFVHDS-WBVHZDCISA-N 1 0 292.471 2.073 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068615987 519735709 /nfs/dbraw/zinc/73/57/09/519735709.db2.gz MCQOULXDQVYZBS-IXDOHACOSA-N 1 0 292.471 2.215 10 30 CEEERO CC(C)c1nccn1Cc1ccccc1C#CC[NH3+] ZINC000049610130 519879973 /nfs/dbraw/zinc/87/99/73/519879973.db2.gz WBROWOXEHIHBQI-UHFFFAOYSA-N 1 0 253.349 2.365 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)C)CC1 ZINC000068611636 520103082 /nfs/dbraw/zinc/10/30/82/520103082.db2.gz RSJMPDMXUGOXDI-CVEARBPZSA-N 1 0 280.460 2.073 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000068615607 520103110 /nfs/dbraw/zinc/10/31/10/520103110.db2.gz DOWYURJAHWOHLH-ZACQAIPSSA-N 1 0 292.471 2.217 10 30 CEEERO CCCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000227889330 520810515 /nfs/dbraw/zinc/81/05/15/520810515.db2.gz RKDYOMGVAMSYCU-CZUORRHYSA-N 1 0 276.380 2.386 10 30 CEEERO CCN(CC1CC1)C(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000069263395 520955262 /nfs/dbraw/zinc/95/52/62/520955262.db2.gz BDEMNPZMFCQTSP-UHFFFAOYSA-N 1 0 274.339 2.008 10 30 CEEERO CC[N@H+](Cc1cc(C#CCCO)ccc1OC)C1CC1 ZINC000049617353 521286958 /nfs/dbraw/zinc/28/69/58/521286958.db2.gz UZSMJYDANODZIS-UHFFFAOYSA-N 1 0 273.376 2.413 10 30 CEEERO CCN1CCC([N@H+](C)[C@H](C)C[C@@](C)(C#N)NC2CC2)CC1 ZINC000068612912 521566331 /nfs/dbraw/zinc/56/63/31/521566331.db2.gz OLZZLDSLIHNRLJ-PBHICJAKSA-N 1 0 292.471 2.215 10 30 CEEERO C[NH+](C)C[C@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000061644166 521868843 /nfs/dbraw/zinc/86/88/43/521868843.db2.gz IQPPFGIQJVOWMY-CQSZACIVSA-N 1 0 261.344 2.223 10 30 CEEERO C[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(C#N)cc1 ZINC000070191163 522015465 /nfs/dbraw/zinc/01/54/65/522015465.db2.gz OMXZURPJDKPGSI-HNNXBMFYSA-N 1 0 271.364 2.162 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(C[C@@](C#N)(NC(C)C)C2CC2)CC1 ZINC000069082468 522123160 /nfs/dbraw/zinc/12/31/60/522123160.db2.gz UGMIPXHNQFDNOG-NVXWUHKLSA-N 1 0 292.471 2.073 10 30 CEEERO C[NH2+]Cc1ccccc1OCc1cccnc1C#N ZINC000061656432 522139872 /nfs/dbraw/zinc/13/98/72/522139872.db2.gz HPJQKZGRTUVCMA-UHFFFAOYSA-N 1 0 253.305 2.252 10 30 CEEERO C[N@H+](CCc1ccncc1)Cc1cccc(C#CCO)c1 ZINC000049613425 522977808 /nfs/dbraw/zinc/97/78/08/522977808.db2.gz YQNJRMNGVINPSY-UHFFFAOYSA-N 1 0 280.371 2.100 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000049618504 523515975 /nfs/dbraw/zinc/51/59/75/523515975.db2.gz XEFNTQQFAIWGAW-ZDUSSCGKSA-N 1 0 273.376 2.269 10 30 CEEERO COc1ccc(C#CCO)cc1C[NH+]1CCC(C)CC1 ZINC000049615539 523517480 /nfs/dbraw/zinc/51/74/80/523517480.db2.gz ZWRPKEMBPRUJCS-UHFFFAOYSA-N 1 0 273.376 2.271 10 30 CEEERO COCC[NH2+]Cc1ccc(OCCCC#N)c([N+](=O)[O-])c1 ZINC000062730740 523953523 /nfs/dbraw/zinc/95/35/23/523953523.db2.gz DINSIWZYZVNNDP-UHFFFAOYSA-N 1 0 293.323 2.013 10 30 CEEERO C[C@H](C[NH+]1CCCCC1)Nc1ccc(C#N)cc1N ZINC000049500849 524333785 /nfs/dbraw/zinc/33/37/85/524333785.db2.gz IJFPVVHFBSSFPD-GFCCVEGCSA-N 1 0 258.369 2.427 10 30 CEEERO C[C@]1(C(=O)Nc2cc(Cl)ccc2C#N)CC[NH2+]C1 ZINC000062892080 525217386 /nfs/dbraw/zinc/21/73/86/525217386.db2.gz LDZBEEBTOROETG-ZDUSSCGKSA-N 1 0 263.728 2.150 10 30 CEEERO Cc1cc(SCc2ccccc2C#CC[NH3+])n(C)n1 ZINC000052311583 525437813 /nfs/dbraw/zinc/43/78/13/525437813.db2.gz ZSQSNVPBFKONLR-UHFFFAOYSA-N 1 0 271.389 2.331 10 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263.291 2.025 10 30 CEEERO CCCCCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249635541 629152033 /nfs/dbraw/zinc/15/20/33/629152033.db2.gz WKXVDTDOPKAAIV-AWEZNQCLSA-N 1 0 288.457 2.067 10 30 CEEERO N#Cc1cccc(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000261767856 629188193 /nfs/dbraw/zinc/18/81/93/629188193.db2.gz OKSYBYTZYLVREF-OAHLLOKOSA-N 1 0 264.332 2.252 10 30 CEEERO CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)C[N+](C)(C)CCO ZINC000033374173 717121105 /nfs/dbraw/zinc/12/11/05/717121105.db2.gz NFKLPTMMLYYXEQ-KKUMJFAQSA-N 1 0 286.436 2.059 10 30 CEEERO C[C@@H](Nc1cc(C#N)ccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000124863179 187158304 /nfs/dbraw/zinc/15/83/04/187158304.db2.gz YTWCNRVCYKWBAJ-ZYHUDNBSSA-N 1 0 274.324 2.266 10 30 CEEERO C=C(Br)CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000124327051 365650080 /nfs/dbraw/zinc/65/00/80/365650080.db2.gz PAFJBGQREHYWIO-VXGBXAGGSA-N 1 0 273.218 2.454 10 30 CEEERO C#CCOC[C@@H](O)C[N@@H+](CCC)Cc1ccc(F)cc1 ZINC000036095504 361827529 /nfs/dbraw/zinc/82/75/29/361827529.db2.gz BOFJEWXFJGWRGB-INIZCTEOSA-N 1 0 279.355 2.048 10 30 CEEERO CC1(CNc2cccc(C#N)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000126668602 187254999 /nfs/dbraw/zinc/25/49/99/187254999.db2.gz XWILECKNGVOEMG-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C#N)s1 ZINC000126700381 187257241 /nfs/dbraw/zinc/25/72/41/187257241.db2.gz JMYOTCUNXMMWFA-VXGBXAGGSA-N 1 0 261.394 2.288 10 30 CEEERO C[C@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000054374961 343589557 /nfs/dbraw/zinc/58/95/57/343589557.db2.gz DUGIUOCISVTRKG-VIFPVBQESA-N 1 0 269.270 2.375 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3cc(C#N)cs3)C2)cn1 ZINC000128531071 365793601 /nfs/dbraw/zinc/79/36/01/365793601.db2.gz PZXOCWMOGODJMV-LBPRGKRZSA-N 1 0 272.377 2.343 10 30 CEEERO CS(=O)(=O)OCCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000117144886 344288333 /nfs/dbraw/zinc/28/83/33/344288333.db2.gz ZMLYTVMJBYVBAL-UHFFFAOYSA-N 1 0 297.420 2.191 10 30 CEEERO CC[C@@H]1CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000251532606 344636588 /nfs/dbraw/zinc/63/65/88/344636588.db2.gz AKVNTQXTDAYQIZ-ZWNOBZJWSA-N 1 0 274.324 2.030 10 30 CEEERO C=CC[NH+](CC=C)C1(C2C(=O)OC(C)(C)OC2=O)CC1 ZINC000584654077 344974120 /nfs/dbraw/zinc/97/41/20/344974120.db2.gz OJGNQPPIHDCJMR-UHFFFAOYSA-N 1 0 279.336 2.272 10 30 CEEERO CC(C)([NH3+])CC(=O)Nc1cc(Cl)ccc1C#N ZINC000084166072 178811718 /nfs/dbraw/zinc/81/17/18/178811718.db2.gz RQJXMNAILKVTME-UHFFFAOYSA-N 1 0 251.717 2.278 10 30 CEEERO CCC1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594427355 345626425 /nfs/dbraw/zinc/62/64/25/345626425.db2.gz IMTCRLGPOMDAPC-RUXDESIVSA-N 1 0 265.401 2.483 10 30 CEEERO N#Cc1ccnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594697200 345673863 /nfs/dbraw/zinc/67/38/63/345673863.db2.gz NVQOMWUPXGLMRO-HNNXBMFYSA-N 1 0 270.380 2.169 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085364275 179035433 /nfs/dbraw/zinc/03/54/33/179035433.db2.gz IWPOPBJKZSNFPQ-JQWIXIFHSA-N 1 0 261.300 2.072 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000085368237 179037946 /nfs/dbraw/zinc/03/79/46/179037946.db2.gz BVAHLOITYLDTFV-JKSUJKDBSA-N 1 0 285.391 2.424 10 30 CEEERO N#Cc1ccc(NCC2([NH3+])CCOCC2)cc1Cl ZINC000600951841 346715539 /nfs/dbraw/zinc/71/55/39/346715539.db2.gz INRRWKBGZXQTGC-UHFFFAOYSA-N 1 0 265.744 2.131 10 30 CEEERO C[C@@H]1CN(c2cccc(Br)c2C#N)C[C@@H]1C[NH3+] ZINC000600960470 346718458 /nfs/dbraw/zinc/71/84/58/346718458.db2.gz ADPYTAFDEVSGDU-ZJUUUORDSA-N 1 0 294.196 2.352 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@@H]1C[NH3+] ZINC000600962146 346719995 /nfs/dbraw/zinc/71/99/95/346719995.db2.gz ZBLZXQMGYNNSMX-KOLCDFICSA-N 1 0 294.196 2.352 10 30 CEEERO C[C@H](CCCC[NH3+])Nc1nc2c(cc1C#N)CCC2 ZINC000336815814 365858029 /nfs/dbraw/zinc/85/80/29/365858029.db2.gz JCAIRBVFNBQMDU-LLVKDONJSA-N 1 0 258.369 2.371 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@@H]1CCCC[NH2+]C1 ZINC000085920996 179200244 /nfs/dbraw/zinc/20/02/44/179200244.db2.gz ZYOADUQLSIGVDC-LLVKDONJSA-N 1 0 267.336 2.055 10 30 CEEERO CCC(CC)(C[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000085920991 179200339 /nfs/dbraw/zinc/20/03/39/179200339.db2.gz QQXBRRDDXQKHKA-UHFFFAOYSA-N 1 0 269.352 2.431 10 30 CEEERO COc1ccc(N[C@@]2(C#N)CCC[N@H+](C)CC2)cc1 ZINC000086819694 179348116 /nfs/dbraw/zinc/34/81/16/179348116.db2.gz VZYJIWXLDRFFBL-HNNXBMFYSA-N 1 0 259.353 2.485 10 30 CEEERO CC(C)[N@@H+]1CCC[C@](C#N)(NCC(F)(F)F)CC1 ZINC000086849665 179358327 /nfs/dbraw/zinc/35/83/27/179358327.db2.gz NUHNFXMXWNKRFT-NSHDSACASA-N 1 0 263.307 2.295 10 30 CEEERO CC(C)N(CCC#N)C(=O)[C@@H](C)CCC[C@@H](C)[NH3+] ZINC000087685053 179470393 /nfs/dbraw/zinc/47/03/93/179470393.db2.gz FZLMMYVEWFCIQB-QWHCGFSZSA-N 1 0 253.390 2.291 10 30 CEEERO N#Cc1ccccc1[C@@H]1CNc2ccccc2N1CC[NH3+] ZINC000616684454 348560305 /nfs/dbraw/zinc/56/03/05/348560305.db2.gz LJQBCSHDPUZTKA-KRWDZBQOSA-N 1 0 278.359 2.490 10 30 CEEERO C[C@H]1C[C@@H](O)C[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000401835834 233186012 /nfs/dbraw/zinc/18/60/12/233186012.db2.gz NWFGKIOXWMLROQ-DZGCQCFKSA-N 1 0 274.364 2.030 10 30 CEEERO C[NH2+]Cc1ccn(Cc2ccc(OC)c(C#N)c2)c1 ZINC000091003060 180084188 /nfs/dbraw/zinc/08/41/88/180084188.db2.gz FSEZXYGQYYWUTB-UHFFFAOYSA-N 1 0 255.321 2.136 10 30 CEEERO N#CCCN(C(=O)C[C@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091134220 180102948 /nfs/dbraw/zinc/10/29/48/180102948.db2.gz MARXAFIFTGOBEU-ZDUSSCGKSA-N 1 0 289.404 2.028 10 30 CEEERO CCc1ccc(NC(=O)c2ccncc2C#CC[NH3+])cc1 ZINC000091461063 180161842 /nfs/dbraw/zinc/16/18/42/180161842.db2.gz XCSJYWAQBVLYME-UHFFFAOYSA-N 1 0 279.343 2.207 10 30 CEEERO C#CCC[C@@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000091613200 180208286 /nfs/dbraw/zinc/20/82/86/180208286.db2.gz ACDAUYBCSAQPGD-CVEARBPZSA-N 1 0 266.429 2.269 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091543521 180185300 /nfs/dbraw/zinc/18/53/00/180185300.db2.gz BADVUWOTQQGUAG-KWQFWETISA-N 1 0 263.728 2.278 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091547298 180187608 /nfs/dbraw/zinc/18/76/08/180187608.db2.gz HHEXLNBGWWHFIA-OLZOCXBDSA-N 1 0 287.363 2.435 10 30 CEEERO COc1ccc(Cn2ccc([C@@H](C)[NH3+])c2)cc1C#N ZINC000091803311 180259992 /nfs/dbraw/zinc/25/99/92/180259992.db2.gz WQYCSZJISLHADT-LLVKDONJSA-N 1 0 255.321 2.436 10 30 CEEERO C[C@H]1CCCN(C(=O)Nc2ccc(C#CC[NH3+])cc2)C1 ZINC000091992410 180300410 /nfs/dbraw/zinc/30/04/10/180300410.db2.gz SLWQOFQVIBVYSL-ZDUSSCGKSA-N 1 0 271.364 2.261 10 30 CEEERO Cc1ccc(OCc2cccc(C#N)c2)c(CC[NH3+])n1 ZINC000091999557 180303938 /nfs/dbraw/zinc/30/39/38/180303938.db2.gz PHXISTOFPKPQEO-UHFFFAOYSA-N 1 0 267.332 2.342 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1cc(C)sc1C ZINC000092473660 180392794 /nfs/dbraw/zinc/39/27/94/180392794.db2.gz NJTUFKMHOFPCNM-JTQLQIEISA-N 1 0 252.383 2.318 10 30 CEEERO [NH3+]CC#Cc1csc(CSc2cnccn2)c1 ZINC000110914127 186332031 /nfs/dbraw/zinc/33/20/31/186332031.db2.gz FAPGLHDFQHUAMV-UHFFFAOYSA-N 1 0 261.375 2.141 10 30 CEEERO CCN(Cc1cc(C#N)ccc1F)[C@@H]1CCC[NH2+]C1 ZINC000110943145 186335541 /nfs/dbraw/zinc/33/55/41/186335541.db2.gz JQFOSLQVUFSCPS-CQSZACIVSA-N 1 0 261.344 2.271 10 30 CEEERO CN(CCC[NH+](C)C)c1c(C#N)cnc2ccccc21 ZINC000111138268 186357944 /nfs/dbraw/zinc/35/79/44/186357944.db2.gz XFCVTLJXFLMEAX-UHFFFAOYSA-N 1 0 268.364 2.494 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](C)CC1CCOCC1 ZINC000111169322 186365059 /nfs/dbraw/zinc/36/50/59/186365059.db2.gz MKVIJPPJZNZMOJ-INIZCTEOSA-N 1 0 281.444 2.407 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](C)CC1CCOCC1 ZINC000111169235 186365396 /nfs/dbraw/zinc/36/53/96/186365396.db2.gz KTRHCYCCIYBRFY-OAHLLOKOSA-N 1 0 267.417 2.017 10 30 CEEERO C=CCN(CC=C)C[C@]1(C[NH2+]CCC)CCCOC1 ZINC000111325099 186399261 /nfs/dbraw/zinc/39/92/61/186399261.db2.gz TUJAWKVATZEGQV-MRXNPFEDSA-N 1 0 266.429 2.457 10 30 CEEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000111265329 186381880 /nfs/dbraw/zinc/38/18/80/186381880.db2.gz LDFUXXRWDQSCOW-PSASIEDQSA-N 1 0 297.280 2.371 10 30 CEEERO C[C@@H]1CN(CCCOc2cccc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000124144802 187124103 /nfs/dbraw/zinc/12/41/03/187124103.db2.gz CBNKUNKDWZVVMX-PBHICJAKSA-N 1 0 287.407 2.209 10 30 CEEERO C=CCC[C@H](C[NH+]1CCSCC1)Oc1cnccn1 ZINC000072425462 363134139 /nfs/dbraw/zinc/13/41/39/363134139.db2.gz DHMCGRLBIRZWJX-CYBMUJFWSA-N 1 0 279.409 2.239 10 30 CEEERO C[NH2+][C@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000161818246 188546809 /nfs/dbraw/zinc/54/68/09/188546809.db2.gz ZPCKKADDKZGCFT-VIFPVBQESA-N 1 0 280.169 2.119 10 30 CEEERO C=CC1CCN(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132394255 366140539 /nfs/dbraw/zinc/14/05/39/366140539.db2.gz SFIHESHFRUGQFF-ZFWWWQNUSA-N 1 0 279.428 2.323 10 30 CEEERO N#Cc1cc(Cl)ccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000174684920 283095479 /nfs/dbraw/zinc/09/54/79/283095479.db2.gz BZKVTZRCMDJMKD-CQSZACIVSA-N 1 0 293.798 2.470 10 30 CEEERO N#Cc1cc(F)c(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(F)c1 ZINC000261627633 283096961 /nfs/dbraw/zinc/09/69/61/283096961.db2.gz VNQJUPNLEKOQFJ-GWCFXTLKSA-N 1 0 263.291 2.025 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2c(F)cc(C#N)cc2F)C1 ZINC000133689221 366247848 /nfs/dbraw/zinc/24/78/48/366247848.db2.gz GTEDHVCDDHUMSC-GXSJLCMTSA-N 1 0 265.307 2.400 10 30 CEEERO CC[C@@](C)(C#N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000136214396 366503346 /nfs/dbraw/zinc/50/33/46/366503346.db2.gz CHSIXIYXEILKAM-OCCSQVGLSA-N 1 0 253.390 2.019 10 30 CEEERO C[C@H]1C[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180169255 189240621 /nfs/dbraw/zinc/24/06/21/189240621.db2.gz CWOLTFIHSHONAB-NHYWBVRUSA-N 1 0 266.348 2.457 10 30 CEEERO C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(C(C)(C)C)cc1 ZINC000154369169 366770826 /nfs/dbraw/zinc/77/08/26/366770826.db2.gz QIKLCDSLWSWGJP-GFCCVEGCSA-N 1 0 273.380 2.274 10 30 CEEERO N#Cc1csc(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000092616218 364087558 /nfs/dbraw/zinc/08/75/58/364087558.db2.gz FPGXXYFOANYAQQ-CYBMUJFWSA-N 1 0 261.394 2.290 10 30 CEEERO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)no1 ZINC000092813927 364110260 /nfs/dbraw/zinc/11/02/60/364110260.db2.gz DWENMWFNEODEOQ-GFCCVEGCSA-N 1 0 286.335 2.297 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C#N)cs1 ZINC000093437658 364180774 /nfs/dbraw/zinc/18/07/74/364180774.db2.gz LATLCJBVGHPXJS-WCQYABFASA-N 1 0 261.394 2.288 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000095081787 364335926 /nfs/dbraw/zinc/33/59/26/364335926.db2.gz QZXMUYVDUUJCKG-UHFFFAOYSA-N 1 0 274.242 2.299 10 30 CEEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000094592167 364281084 /nfs/dbraw/zinc/28/10/84/364281084.db2.gz NCLZQQVDSAKEPA-LBPRGKRZSA-N 1 0 260.297 2.020 10 30 CEEERO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)COC(C)(C)C ZINC000157238773 366842995 /nfs/dbraw/zinc/84/29/95/366842995.db2.gz VMCMWMOINVINCO-ZDUSSCGKSA-N 1 0 270.417 2.424 10 30 CEEERO N#Cc1c(Cl)cccc1N1CC[C@H](N2CCOCC2)C1 ZINC000110259123 364720323 /nfs/dbraw/zinc/72/03/23/364720323.db2.gz UGTPUOACLADDAR-LBPRGKRZSA-N 1 0 291.782 2.123 10 30 CEEERO C[NH+](C)[C@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000113817469 364915087 /nfs/dbraw/zinc/91/50/87/364915087.db2.gz BEHKDAOQEUTQSK-LBPRGKRZSA-N 1 0 294.196 2.461 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3cccc(C#N)c3)C2)cn1 ZINC000116313332 365049085 /nfs/dbraw/zinc/04/90/85/365049085.db2.gz LHZHNDDIXQDQCR-HNNXBMFYSA-N 1 0 266.348 2.281 10 30 CEEERO C[C@H]1CN(Cc2ccc(C#N)c(F)c2)C[C@H]1[NH+](C)C ZINC000336087470 365390120 /nfs/dbraw/zinc/39/01/20/365390120.db2.gz VSHKHHCXMFATDQ-XHDPSFHLSA-N 1 0 261.344 2.079 10 30 CEEERO N#Cc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000162922572 367203737 /nfs/dbraw/zinc/20/37/37/367203737.db2.gz IADYVHZZTLPKEI-CQSZACIVSA-N 1 0 275.783 2.492 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)/C=C/c1ccccc1C#N ZINC000172056757 367665405 /nfs/dbraw/zinc/66/54/05/367665405.db2.gz NRIVUDZYGWIXGD-QETWALASSA-N 1 0 295.386 2.267 10 30 CEEERO C[C@H](C#N)Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000245724249 370865557 /nfs/dbraw/zinc/86/55/57/370865557.db2.gz INRAJDPFRJSOGC-ZBFHGGJFSA-N 1 0 285.391 2.257 10 30 CEEERO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000245952522 370893020 /nfs/dbraw/zinc/89/30/20/370893020.db2.gz BHQOCBNQENRZNB-IAGOWNOFSA-N 1 0 296.374 2.162 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2C#N)C1 ZINC000188530396 369371077 /nfs/dbraw/zinc/37/10/77/369371077.db2.gz WQXFPBPYMNEYGT-ABAIWWIYSA-N 1 0 289.354 2.156 10 30 CEEERO CC(C)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000246455320 370963432 /nfs/dbraw/zinc/96/34/32/370963432.db2.gz YIXSIHILDZBDDG-XJKSGUPXSA-N 1 0 257.381 2.377 10 30 CEEERO C=CCOc1ccccc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000195329107 370126307 /nfs/dbraw/zinc/12/63/07/370126307.db2.gz PTNMILUZHUCJFJ-AWEZNQCLSA-N 1 0 286.375 2.172 10 30 CEEERO C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@H]1C[NH3+] ZINC000253193880 371501173 /nfs/dbraw/zinc/50/11/73/371501173.db2.gz PFLGFHZZPXRFIY-IUODEOHRSA-N 1 0 284.407 2.253 10 30 CEEERO C[C@@H]([NH3+])[C@H](C)Nc1ccc(Br)cc1C#N ZINC000261537883 371639572 /nfs/dbraw/zinc/63/95/72/371639572.db2.gz WNWOTWGSYJPPSZ-SFYZADRCSA-N 1 0 268.158 2.468 10 30 CEEERO CC[N@@H+]1CC[C@@H](Nc2ncc(Br)cc2C#N)C1 ZINC000389382005 375304208 /nfs/dbraw/zinc/30/42/08/375304208.db2.gz NAOUUVRCAJPZKV-LLVKDONJSA-N 1 0 295.184 2.222 10 30 CEEERO C=CCOc1ccccc1C[NH2+][C@H]1CCN(CC)C1 ZINC000389522137 375306262 /nfs/dbraw/zinc/30/62/62/375306262.db2.gz HDSWSSIKMXYPJC-HNNXBMFYSA-N 1 0 260.381 2.435 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000080994203 177750596 /nfs/dbraw/zinc/75/05/96/177750596.db2.gz IENBWQIHZQYLJC-ZDUSSCGKSA-N 1 0 261.300 2.168 10 30 CEEERO CCN(C[C@@H](C#N)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000080787235 177706768 /nfs/dbraw/zinc/70/67/68/177706768.db2.gz XDTGXQIFEQMGMO-HZPDHXFCSA-N 1 0 257.381 2.368 10 30 CEEERO CCN(C[C@H](C#N)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000080787242 177706844 /nfs/dbraw/zinc/70/68/44/177706844.db2.gz XDTGXQIFEQMGMO-JKSUJKDBSA-N 1 0 257.381 2.368 10 30 CEEERO CCN[C@@]1(C#N)CCC[C@H]([N@H+](C)CCc2ccccn2)C1 ZINC000093733580 184710153 /nfs/dbraw/zinc/71/01/53/184710153.db2.gz TUJNICTYQLTIOH-IRXDYDNUSA-N 1 0 286.423 2.370 10 30 CEEERO C#CC[NH2+]CC(=O)NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000094544617 184815630 /nfs/dbraw/zinc/81/56/30/184815630.db2.gz LBROHRMWNXUIJZ-JOHJCKIYSA-N 1 0 274.408 2.074 10 30 CEEERO N#Cc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000094592318 184821913 /nfs/dbraw/zinc/82/19/13/184821913.db2.gz DJTDCXLBIBZJQD-GWCFXTLKSA-N 1 0 274.324 2.396 10 30 CEEERO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(C#N)c(N)c1 ZINC000094590542 184822252 /nfs/dbraw/zinc/82/22/52/184822252.db2.gz SSOMXGMQVDOMLB-LBPRGKRZSA-N 1 0 258.369 2.427 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCCN1c1c(C#N)nnc2ccccc21 ZINC000085920882 135038823 /nfs/dbraw/zinc/03/88/23/135038823.db2.gz JODTUGLZKTUEPB-IAQYHMDHSA-N 1 0 281.363 2.208 10 30 CEEERO N#CCC1(C[NH+]2CCN(c3cccc(N)c3)CC2)CC1 ZINC000088255651 135053540 /nfs/dbraw/zinc/05/35/40/135053540.db2.gz PSWYRZUPYCMBGP-UHFFFAOYSA-N 1 0 270.380 2.085 10 30 CEEERO COc1ccc([C@@]23C=CC(=O)C[C@@H]2[N@@H+](C)CC3)cc1OC ZINC000056871300 394562953 /nfs/dbraw/zinc/56/29/53/394562953.db2.gz HDNHBCSWFYFPAN-IRXDYDNUSA-N 1 0 287.359 2.175 10 30 biogenic,in-vitro CEEERO Cc1nc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)cc1C#N ZINC000261606043 394604036 /nfs/dbraw/zinc/60/40/36/394604036.db2.gz RJIDOEJIMPSLCR-GAFUQQFSSA-N 1 0 276.771 2.089 10 30 CEEERO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 ZINC000181506840 395217766 /nfs/dbraw/zinc/21/77/66/395217766.db2.gz OHCBUGKFPGOMBY-OAHLLOKOSA-N 1 0 283.375 2.018 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](CC#Cc3ccccc3)C2)cn1 ZINC000192029199 395370556 /nfs/dbraw/zinc/37/05/56/395370556.db2.gz PQPMFJNFVBNNSJ-INIZCTEOSA-N 1 0 265.360 2.261 10 30 CEEERO C[C@H](c1ccccc1)[C@H]([NH3+])CC(=O)N1CCC[C@@H]1C#N ZINC000206017141 395473743 /nfs/dbraw/zinc/47/37/43/395473743.db2.gz TXWNWQCDGRBOSR-BPLDGKMQSA-N 1 0 271.364 2.022 10 30 CEEERO CCc1nnc(N2CCC(CC[NH3+])CC2)c(C#N)c1CC ZINC000125501876 400278110 /nfs/dbraw/zinc/27/81/10/400278110.db2.gz KYINGAVBLSVBPU-UHFFFAOYSA-N 1 0 287.411 2.038 10 30 CEEERO CCO[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C12CCOCC2 ZINC000333733881 286278839 /nfs/dbraw/zinc/27/88/39/286278839.db2.gz UNAMVGRUEDWDMK-ZIAGYGMSSA-N 1 0 278.396 2.244 10 30 CEEERO Cc1nc(NC[C@H]2[NH2+]CCCC2(C)C)ccc1C#N ZINC000261651441 153798399 /nfs/dbraw/zinc/79/83/99/153798399.db2.gz YDXDOLVKROMGFN-CYBMUJFWSA-N 1 0 258.369 2.452 10 30 CEEERO C[C@H](C[NH3+])N(C)c1ccc(C#N)cc1Br ZINC000335606731 289543527 /nfs/dbraw/zinc/54/35/27/289543527.db2.gz BCYUYJPDJPBCEL-MRVPVSSYSA-N 1 0 268.158 2.104 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1sccc1C#N ZINC000176991971 165181797 /nfs/dbraw/zinc/18/17/97/165181797.db2.gz JSKJWYKYTNVEFF-GFCCVEGCSA-N 1 0 277.393 2.176 10 30 CEEERO N#C[C@H](c1ccc(OC(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000019274978 170769031 /nfs/dbraw/zinc/76/90/31/170769031.db2.gz XAVPKBIZTKFLLU-GFCCVEGCSA-N 1 0 285.269 2.055 10 30 CEEERO CCCOc1cccc([C@H](C#N)NCC[NH+](C)C)c1 ZINC000020176669 171042739 /nfs/dbraw/zinc/04/27/39/171042739.db2.gz XOVFICWWHVFHAO-HNNXBMFYSA-N 1 0 261.369 2.191 10 30 CEEERO CCc1nnc(NC(=O)C[NH2+]C2CCCC2)s1 ZINC000021264463 171300344 /nfs/dbraw/zinc/30/03/44/171300344.db2.gz VQMTVCYWNXQYHU-UHFFFAOYSA-N 1 0 254.359 2.221 10 30 CEEERO COc1ccc(C(=O)/C=C/c2cc[n+](C)cc2)c(OC)c1 ZINC000033956946 171827830 /nfs/dbraw/zinc/82/78/30/171827830.db2.gz OWDSUEJZEXJCSV-QPJJXVBHSA-N 1 0 284.335 2.424 10 30 CEEERO CC(C)[NH+](CCNc1ncc(N)cc1C#N)C(C)C ZINC000037758863 173683906 /nfs/dbraw/zinc/68/39/06/173683906.db2.gz HSBCTXQFCGWNTE-UHFFFAOYSA-N 1 0 261.373 2.066 10 30 CEEERO CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]CCC#N)C2 ZINC000040740356 174390414 /nfs/dbraw/zinc/39/04/14/174390414.db2.gz QGYWPTQENVWPSG-YHWZYXNKSA-N 1 0 279.384 2.420 10 30 CEEERO CN(Cc1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746955 174392253 /nfs/dbraw/zinc/39/22/53/174392253.db2.gz UCZLEOOHYVUZHP-YIONKMFJSA-N 1 0 273.355 2.412 10 30 CEEERO N#CCCN(Cc1cccnc1)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000040988967 174445962 /nfs/dbraw/zinc/44/59/62/174445962.db2.gz RMDWWMQJLWFJPH-HOTGVXAUSA-N 1 0 272.396 2.457 10 30 CEEERO C=CCC1(NC(=O)[C@@H]2CCC[NH2+][C@H]2C)CCCC1 ZINC000662888064 414787906 /nfs/dbraw/zinc/78/79/06/414787906.db2.gz DFHSROAIYPFBAE-QWHCGFSZSA-N 1 0 250.386 2.380 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccncc1 ZINC000043355393 175022914 /nfs/dbraw/zinc/02/29/14/175022914.db2.gz SNEPINAENIXPIA-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](c1ccncc1)[C@H](C)[NH3+] ZINC000043355165 175023035 /nfs/dbraw/zinc/02/30/35/175023035.db2.gz ICEADWUNOZIHMB-ZBEGNZNMSA-N 1 0 283.331 2.429 10 30 CEEERO [NH3+]CC#Cc1ccsc1Cn1cnc2ccccc21 ZINC000043684352 175093174 /nfs/dbraw/zinc/09/31/74/175093174.db2.gz SWUWFCKUIFZLMB-UHFFFAOYSA-N 1 0 267.357 2.456 10 30 CEEERO CCC[C@H](C#N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044809125 175257573 /nfs/dbraw/zinc/25/75/73/175257573.db2.gz IJFYHJMGDDIRKJ-CYBMUJFWSA-N 1 0 253.390 2.161 10 30 CEEERO CC(C)N[C@@](C)(C#N)CN1CCC([NH+]2CCCCC2)CC1 ZINC000045176714 175323723 /nfs/dbraw/zinc/32/37/23/175323723.db2.gz MIKKCRWXXBZCIA-KRWDZBQOSA-N 1 0 292.471 2.217 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1 ZINC000045311524 175356697 /nfs/dbraw/zinc/35/66/97/175356697.db2.gz KNTFWMJBNGIKQX-QGZVFWFLSA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[NH+]1CCC(OC)CC1 ZINC000045310302 175356820 /nfs/dbraw/zinc/35/68/20/175356820.db2.gz ZTXFPRNXJOJOHG-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO C[C@](C#N)(CCCC[N@@H+]1CCOCC1(C)C)NC1CC1 ZINC000045317594 175358086 /nfs/dbraw/zinc/35/80/86/175358086.db2.gz ITLLUJMIPLOKJQ-MRXNPFEDSA-N 1 0 279.428 2.302 10 30 CEEERO C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000659329129 415518741 /nfs/dbraw/zinc/51/87/41/415518741.db2.gz LJMRYSUWLFBQKZ-XJFOESAGSA-N 1 0 250.386 2.093 10 30 CEEERO COCCN(CCC#N)[C@@H](c1ccc(C)cc1)[C@@H](C)[NH3+] ZINC000071221842 176087443 /nfs/dbraw/zinc/08/74/43/176087443.db2.gz HKXCHYKAQJXBCC-GDBMZVCRSA-N 1 0 275.396 2.245 10 30 CEEERO N#Cc1cc(F)ccc1C[N@@H+](CCO)C1CCCC1 ZINC000071264610 176098234 /nfs/dbraw/zinc/09/82/34/176098234.db2.gz ICQSULADDLIJPK-UHFFFAOYSA-N 1 0 262.328 2.434 10 30 CEEERO C[N@H+](Cc1ccc(F)cc1/C(N)=N/O)CC(C)(C)C ZINC000071267069 176100718 /nfs/dbraw/zinc/10/07/18/176100718.db2.gz QYGPNBKOAJJDGZ-UHFFFAOYSA-N 1 0 267.348 2.398 10 30 CEEERO CCCN(c1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000071332635 176125648 /nfs/dbraw/zinc/12/56/48/176125648.db2.gz XTBHWZORYLIYOK-GFCCVEGCSA-N 1 0 274.324 2.045 10 30 CEEERO C[N@H+](CCNc1ccc(N)cc1C#N)C1CCCC1 ZINC000071376926 176141812 /nfs/dbraw/zinc/14/18/12/176141812.db2.gz UKFWRGHLLIYSMR-UHFFFAOYSA-N 1 0 258.369 2.427 10 30 CEEERO CSCCCC[NH2+]Cc1cc(C#N)n(C)c1C ZINC000076764819 177086451 /nfs/dbraw/zinc/08/64/51/177086451.db2.gz CDMGZTBNZBNTNK-UHFFFAOYSA-N 1 0 251.399 2.438 10 30 CEEERO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000347705415 226240182 /nfs/dbraw/zinc/24/01/82/226240182.db2.gz KAQYKBPISQAOHK-SWLSCSKDSA-N 1 0 260.337 2.356 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccccc1 ZINC000248882900 261213447 /nfs/dbraw/zinc/21/34/47/261213447.db2.gz QBZFTCIKKMMKIC-RDJZCZTQSA-N 1 0 254.377 2.207 10 30 CEEERO C=C[C@@](C)(CCOC)C(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000249258574 261248677 /nfs/dbraw/zinc/24/86/77/261248677.db2.gz HAGNRSBLDNCRHF-ZBFHGGJFSA-N 1 0 282.428 2.158 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000174991077 261590615 /nfs/dbraw/zinc/59/06/15/261590615.db2.gz PXUYADNXXGKCKK-DLBZAZTESA-N 1 0 297.402 2.451 10 30 CEEERO CC[C@H](C#N)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000370059472 267286971 /nfs/dbraw/zinc/28/69/71/267286971.db2.gz IOYRIRNNBOSGMJ-TZMCWYRMSA-N 1 0 263.385 2.202 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3c(cc2C#N)CCC3)C1 ZINC000070175100 274240511 /nfs/dbraw/zinc/24/05/11/274240511.db2.gz ROPSMJXWBWSSOX-YPMHNXCESA-N 1 0 270.380 2.006 10 30 CEEERO C[C@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CC[NH2+]1 ZINC000122876842 274592769 /nfs/dbraw/zinc/59/27/69/274592769.db2.gz HURDCCSQECGIED-VIFPVBQESA-N 1 0 269.270 2.375 10 30 CEEERO C[NH2+]C[C@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N ZINC000156660934 277285930 /nfs/dbraw/zinc/28/59/30/277285930.db2.gz JPLDXNLPWBMJDR-SNVBAGLBSA-N 1 0 284.285 2.160 10 30 CEEERO CC1(C)CN(c2ccc(C#N)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261741013 278342554 /nfs/dbraw/zinc/34/25/54/278342554.db2.gz MAWDYABBGQEGLE-CYBMUJFWSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000261929801 279908546 /nfs/dbraw/zinc/90/85/46/279908546.db2.gz JNLUJVJHHLZEKQ-VIFPVBQESA-N 1 0 269.270 2.375 10 30 CEEERO Cc1nc(N2CC[C@H](C)C[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261572218 281938202 /nfs/dbraw/zinc/93/82/02/281938202.db2.gz AEDMWMGWBKDQJW-JOYOIKCWSA-N 1 0 278.787 2.479 10 30 CEEERO C=CCSCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000177463363 329184238 /nfs/dbraw/zinc/18/42/38/329184238.db2.gz KJQWHYYKIVKKFN-ZDUSSCGKSA-N 1 0 285.457 2.031 10 30 CEEERO COc1ccc([C@H](C)[NH2+]CCOCCC#N)cc1OC ZINC000293819564 327155295 /nfs/dbraw/zinc/15/52/95/327155295.db2.gz OXEKZJRBMRWKBF-LBPRGKRZSA-N 1 0 278.352 2.285 10 30 CEEERO C=CCCOCC[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186434539 329342451 /nfs/dbraw/zinc/34/24/51/329342451.db2.gz AKIOEOSJPWLXIH-LSDHHAIUSA-N 1 0 283.412 2.143 10 30 CEEERO C=CCC1(C(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)CCC1 ZINC000188342676 329366373 /nfs/dbraw/zinc/36/63/73/329366373.db2.gz OLXYFZNKNMOJDL-HUUCEWRRSA-N 1 0 294.439 2.036 10 30 CEEERO C[C@@H]1C(=O)NCCCN1Cc1ccccc1C(C)(C)C#N ZINC000189307125 329379825 /nfs/dbraw/zinc/37/98/25/329379825.db2.gz HTQBAEMXEGHHMV-CYBMUJFWSA-N 1 0 285.391 2.198 10 30 CEEERO C[NH+]=C(NCc1ncoc1-c1ccccc1)N[C@@H]1C[C@@H]1C ZINC000261991770 329994987 /nfs/dbraw/zinc/99/49/87/329994987.db2.gz RLFKCPVKYPTYGO-WCQYABFASA-N 1 0 284.363 2.415 10 30 CEEERO CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCSC(C)(C)C1 ZINC000262012487 329997286 /nfs/dbraw/zinc/99/72/86/329997286.db2.gz VGLNURZHGLICPB-WDEREUQCSA-N 1 0 255.431 2.188 10 30 CEEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)s1)NCC1CC1 ZINC000262304560 330005118 /nfs/dbraw/zinc/00/51/18/330005118.db2.gz AAWYKPJIPWCPBM-SECBINFHSA-N 1 0 287.816 2.010 10 30 CEEERO C=CCNC(=O)Nc1ccc(NC(=O)[C@H]([NH3+])CCC)cc1 ZINC000262309452 330005338 /nfs/dbraw/zinc/00/53/38/330005338.db2.gz NIBBJPZLUBYNID-CYBMUJFWSA-N 1 0 290.367 2.060 10 30 CEEERO CC[NH+]=C(NCC1CCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262440568 330013123 /nfs/dbraw/zinc/01/31/23/330013123.db2.gz UNQWNJKOHQLIIN-BFHYXJOUSA-N 1 0 279.428 2.155 10 30 CEEERO [NH2+]=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)NC1CC1 ZINC000262455970 330014394 /nfs/dbraw/zinc/01/43/94/330014394.db2.gz RORVQTVYPPNBAY-PSASIEDQSA-N 1 0 263.307 2.422 10 30 CEEERO CC(C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000262532800 330019904 /nfs/dbraw/zinc/01/99/04/330019904.db2.gz OLCMXGKJKCSSAG-GZMMTYOYSA-N 1 0 253.296 2.133 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2COc3ccccc32)C1 ZINC000262621288 330023191 /nfs/dbraw/zinc/02/31/91/330023191.db2.gz CSYNOTMOJPAZQM-YPMHNXCESA-N 1 0 259.353 2.167 10 30 CEEERO [NH2+]=C(NCC1(C(F)(F)F)CCC1)N1CCSCC1 ZINC000262678032 330026406 /nfs/dbraw/zinc/02/64/06/330026406.db2.gz USQNUSNNTFETSL-UHFFFAOYSA-N 1 0 281.347 2.083 10 30 CEEERO CC[C@H](C)NC(=[NH2+])NC[C@@H](O)c1ccc(Cl)s1 ZINC000262687138 330027061 /nfs/dbraw/zinc/02/70/61/330027061.db2.gz VJAXCWOITDYKFI-JGVFFNPUSA-N 1 0 275.805 2.138 10 30 CEEERO COc1ccc(NC(=[NH2+])NCc2cnc(C3CC3)o2)cc1 ZINC000263066746 330041804 /nfs/dbraw/zinc/04/18/04/330041804.db2.gz GGDYWRDQMPCOBP-UHFFFAOYSA-N 1 0 286.335 2.487 10 30 CEEERO C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)c1ccc(F)cc1F ZINC000424065415 330219289 /nfs/dbraw/zinc/21/92/89/330219289.db2.gz LIGUWDHLMQJOKZ-ZANVPECISA-N 1 0 281.306 2.163 10 30 CEEERO C=CC[C@H](CO)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000184264344 333126232 /nfs/dbraw/zinc/12/62/32/333126232.db2.gz VLNAHTPNISEMRO-UONOGXRCSA-N 1 0 298.427 2.160 10 30 CEEERO C=C(Br)CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000136076903 334145996 /nfs/dbraw/zinc/14/59/96/334145996.db2.gz KSPHWPZHJHIPGN-VXGBXAGGSA-N 1 0 273.218 2.454 10 30 CEEERO CC(C)C[NH+]1CCN(CCC[C@@](C)(C#N)NC(C)C)CC1 ZINC000055081120 519726226 /nfs/dbraw/zinc/72/62/26/519726226.db2.gz XFWPDIBMZGMFMA-KRWDZBQOSA-N 1 0 294.487 2.320 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652803 519739318 /nfs/dbraw/zinc/73/93/18/519739318.db2.gz KFYZUGDUQQGQAG-SJORKVTESA-N 1 0 294.487 2.463 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614923 520103775 /nfs/dbraw/zinc/10/37/75/520103775.db2.gz ZOJFVWKNOMMCDE-XHSDSOJGSA-N 1 0 280.460 2.073 10 30 CEEERO C#CCOc1c(Br)cccc1C[NH2+]CCOC ZINC000062733785 518315105 /nfs/dbraw/zinc/31/51/05/518315105.db2.gz NVRTVXNFCJSIOM-UHFFFAOYSA-N 1 0 298.180 2.197 10 30 CEEERO C=C(Br)COc1cc(C[NH3+])ccc1[N+](=O)[O-] ZINC000050516306 518585164 /nfs/dbraw/zinc/58/51/64/518585164.db2.gz DFZZJWRGODRQOF-UHFFFAOYSA-N 1 0 287.113 2.341 10 30 CEEERO C=C(C)COc1ccc(C[NH2+]CCOC)cc1OC ZINC000062731943 518613756 /nfs/dbraw/zinc/61/37/56/518613756.db2.gz PTONVGNVPYPTOT-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO C=CC[C@H](CO)[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000184270617 519118796 /nfs/dbraw/zinc/11/87/96/519118796.db2.gz QIQDXPYYVXOCTA-CQSZACIVSA-N 1 0 274.368 2.039 10 30 CEEERO CC(C)[NH2+]C[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC000068760861 519723136 /nfs/dbraw/zinc/72/31/36/519723136.db2.gz JECNYKBBXJDTOU-INIZCTEOSA-N 1 0 272.396 2.306 10 30 CEEERO CC[NH2+]C[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000061228581 519959091 /nfs/dbraw/zinc/95/90/91/519959091.db2.gz RXPYNJNMYXFYQX-ZDUSSCGKSA-N 1 0 259.353 2.179 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CC[NH+](CCC)CC1 ZINC000068611239 520033886 /nfs/dbraw/zinc/03/38/86/520033886.db2.gz OBFAVQCOMIJCPD-JKSUJKDBSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@@](C)(C#N)CCCCN1CC[NH+](CC(C)C)CC1 ZINC000055081142 520128095 /nfs/dbraw/zinc/12/80/95/520128095.db2.gz AHVIOIZIPNXVCG-QGZVFWFLSA-N 1 0 294.487 2.322 10 30 CEEERO CCC[C@@]1(C(=O)NCc2cccc(C#N)c2)CCC[NH2+]C1 ZINC000062856099 520943106 /nfs/dbraw/zinc/94/31/06/520943106.db2.gz HKMLYHYXANVAGS-QGZVFWFLSA-N 1 0 285.391 2.344 10 30 CEEERO CC[N@@H+](Cc1cccc(C#CCO)c1)C[C@@H]1CCCO1 ZINC000049613779 521337679 /nfs/dbraw/zinc/33/76/79/521337679.db2.gz HAUMQNMROWFQTL-KRWDZBQOSA-N 1 0 273.376 2.031 10 30 CEEERO CC[NH+]1CCC(N(C)C(=O)[C@@H](C#N)c2ccccc2)CC1 ZINC000061615208 521556878 /nfs/dbraw/zinc/55/68/78/521556878.db2.gz DDSAHJSYLDXBAE-INIZCTEOSA-N 1 0 285.391 2.236 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(Cc2sccc2C#CCO)CC1 ZINC000055069363 522128509 /nfs/dbraw/zinc/12/85/09/522128509.db2.gz OBFROMVCJFTNIV-CQSZACIVSA-N 1 0 292.448 2.008 10 30 CEEERO CN(CCC#N)C(=O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000061559746 522668883 /nfs/dbraw/zinc/66/88/83/522668883.db2.gz KVNXVAGODQRYEZ-UHFFFAOYSA-N 1 0 277.412 2.405 10 30 CEEERO CC[C@@H](NC(=O)c1ccc(OC)c(C#CC[NH3+])c1)C(C)C ZINC000049148560 522787386 /nfs/dbraw/zinc/78/73/86/522787386.db2.gz CSWCWKUJDWRROU-OAHLLOKOSA-N 1 0 288.391 2.170 10 30 CEEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1ccccc1C#CCO ZINC000049614675 523516285 /nfs/dbraw/zinc/51/62/85/523516285.db2.gz KFKVMCIQMFOQAG-RHSMWYFYSA-N 1 0 273.376 2.030 10 30 CEEERO C[C@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049616067 524093228 /nfs/dbraw/zinc/09/32/28/524093228.db2.gz GVLRAIMDWXATCD-ZDUSSCGKSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@H]1CC[N@H+](CCOc2ccc(C#CCCO)cc2)C1 ZINC000049613582 524288682 /nfs/dbraw/zinc/28/86/82/524288682.db2.gz GIIZPPWKUZJFTM-HNNXBMFYSA-N 1 0 273.376 2.141 10 30 CEEERO C[C@@H](C[NH+]1CCCC1)NCc1ccc(C#N)cc1F ZINC000049180278 524593480 /nfs/dbraw/zinc/59/34/80/524593480.db2.gz IWJLYVBPYXZCJN-LBPRGKRZSA-N 1 0 261.344 2.271 10 30 CEEERO C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3CC[NH2+]C3)sc2C1 ZINC000062116212 524722216 /nfs/dbraw/zinc/72/22/16/524722216.db2.gz LFPRZODAKRULCR-NXEZZACHSA-N 1 0 289.404 2.293 10 30 CEEERO C[C@H]1C[C@H](C)C[NH+](CCOc2cccc(C#CCO)c2)C1 ZINC000049616620 524885263 /nfs/dbraw/zinc/88/52/63/524885263.db2.gz GQDVNUIEQMRTBV-HOTGVXAUSA-N 1 0 287.403 2.387 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N ZINC000063196909 525009130 /nfs/dbraw/zinc/00/91/30/525009130.db2.gz OTPKZVMUDKXXRB-MFKMUULPSA-N 1 0 274.324 2.173 10 30 CEEERO Cc1nn(Cc2ccc(C#CC[NH3+])cc2)c(C)c1C ZINC000049610241 526288416 /nfs/dbraw/zinc/28/84/16/526288416.db2.gz XDTLOQGPVOIPJK-UHFFFAOYSA-N 1 0 253.349 2.167 10 30 CEEERO N#CC[C@H](N[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC000055016017 526481294 /nfs/dbraw/zinc/48/12/94/526481294.db2.gz LPCBWFQNRIMITA-HOTGVXAUSA-N 1 0 255.365 2.325 10 30 CEEERO N#Cc1cc(NCC[NH2+]C2CC2)nc2ccccc12 ZINC000068771037 526571482 /nfs/dbraw/zinc/57/14/82/526571482.db2.gz FCXPZUDZHUPBCC-UHFFFAOYSA-N 1 0 252.321 2.270 10 30 CEEERO OCCC#Cc1cccc(C[N@@H+]2CCCSCC2)c1 ZINC000049615045 527531145 /nfs/dbraw/zinc/53/11/45/527531145.db2.gz HMLAWNBGDUIYOU-UHFFFAOYSA-N 1 0 275.417 2.359 10 30 CEEERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)[C@H](C[NH3+])C1 ZINC000300175304 622731806 /nfs/dbraw/zinc/73/18/06/622731806.db2.gz FVNIDQGOMGHDBR-MFKMUULPSA-N 1 0 274.324 2.030 10 30 CEEERO CN(CC(C)(C)C[NH3+])c1nc(Cl)c(C#N)s1 ZINC000234263024 623425363 /nfs/dbraw/zinc/42/53/63/623425363.db2.gz RYIVGFHXJOXLGS-UHFFFAOYSA-N 1 0 258.778 2.089 10 30 CEEERO C[C@H]1[C@@H]([NH3+])CCN1c1nc2ccccc2cc1C#N ZINC000311927039 627835289 /nfs/dbraw/zinc/83/52/89/627835289.db2.gz FRBKODPMAGQYKI-GWCFXTLKSA-N 1 0 252.321 2.032 10 30 CEEERO C[C@@H]1[C@@H]([NH3+])CCN1c1cc(C#N)c2ccccc2n1 ZINC000261590820 628943040 /nfs/dbraw/zinc/94/30/40/628943040.db2.gz LODBNTHXXNGPRP-MFKMUULPSA-N 1 0 252.321 2.032 10 30 CEEERO C[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261697799 629096907 /nfs/dbraw/zinc/09/69/07/629096907.db2.gz STIJFGFOWFWUQA-XJFOESAGSA-N 1 0 279.428 2.154 10 30 CEEERO CCC1(CC)CCN(C(NC[C@@H]2CCC[C@@H]2O)=[NH+]C)C1 ZINC000261933062 629342624 /nfs/dbraw/zinc/34/26/24/629342624.db2.gz BVCMNLOQUAOVRX-KBPBESRZSA-N 1 0 281.444 2.235 10 30 CEEERO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000121397792 637310098 /nfs/dbraw/zinc/31/00/98/637310098.db2.gz FVQHQECPAJAKES-NWANDNLSSA-N 1 0 263.381 2.309 10 30 CEEERO C=CC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000089146902 640087941 /nfs/dbraw/zinc/08/79/41/640087941.db2.gz KUPFLEFPSHOJNS-VXGBXAGGSA-N 1 0 254.374 2.455 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094592204 642441302 /nfs/dbraw/zinc/44/13/02/642441302.db2.gz CTCIOLJDKXSCAH-ZDUSSCGKSA-N 1 0 274.324 2.045 10 30 CEEERO CC(C)[C@@H]([NH3+])CCN(C)c1cc(C#N)ccc1[N+](=O)[O-] ZINC000124905010 187160103 /nfs/dbraw/zinc/16/01/03/187160103.db2.gz TUXJRBAODQADKI-LBPRGKRZSA-N 1 0 276.340 2.276 10 30 CEEERO C=CCCO[C@H](C)C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000125166811 187173092 /nfs/dbraw/zinc/17/30/92/187173092.db2.gz ZHAOJHDSLIALFD-ZBFHGGJFSA-N 1 0 290.407 2.387 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000127269766 365739438 /nfs/dbraw/zinc/73/94/38/365739438.db2.gz GNSZEJIFJGETRL-WPRPVWTQSA-N 1 0 251.280 2.010 10 30 CEEERO CC[C@H]1CN(c2cccc(C#N)c2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000126657029 344325494 /nfs/dbraw/zinc/32/54/94/344325494.db2.gz IPEXFMCDQABCTK-JQWIXIFHSA-N 1 0 274.324 2.030 10 30 CEEERO Cc1cc(Br)cc(C[NH3+])c1OCC#N ZINC000159307316 344454630 /nfs/dbraw/zinc/45/46/30/344454630.db2.gz VUOALULUWIUFJO-UHFFFAOYSA-N 1 0 255.115 2.119 10 30 CEEERO [NH3+]CCC#Cc1c(F)ccc(Br)c1F ZINC000236232264 344594694 /nfs/dbraw/zinc/59/46/94/344594694.db2.gz ULPFKEVGTNUKNH-UHFFFAOYSA-N 1 0 260.081 2.428 10 30 CEEERO CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCn2ccnc2C1 ZINC000328628555 344756470 /nfs/dbraw/zinc/75/64/70/344756470.db2.gz NVXCQLCRRWWXAZ-UONOGXRCSA-N 1 0 290.411 2.276 10 30 CEEERO C[NH2+]Cc1ccccc1CNc1cc(C)ncc1C#N ZINC000404561816 344881470 /nfs/dbraw/zinc/88/14/70/344881470.db2.gz WGDVGOXBBXOUMX-UHFFFAOYSA-N 1 0 266.348 2.015 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)CC1([NH3+])CCCC1 ZINC000084164681 178811607 /nfs/dbraw/zinc/81/16/07/178811607.db2.gz LJDRXAYMPPTHTD-UHFFFAOYSA-N 1 0 261.300 2.297 10 30 CEEERO N#Cc1cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)ccn1 ZINC000594693389 345673297 /nfs/dbraw/zinc/67/32/97/345673297.db2.gz NPHQNPWSAWQGQT-AWEZNQCLSA-N 1 0 270.380 2.169 10 30 CEEERO C[C@@H](C[NH3+])Nc1ccc(Br)cc1C#N ZINC000165304306 232263928 /nfs/dbraw/zinc/26/39/28/232263928.db2.gz QIPIXHLMLOMTBU-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085364268 179035368 /nfs/dbraw/zinc/03/53/68/179035368.db2.gz RWMRBRUHXZOWLI-DGCLKSJQSA-N 1 0 275.327 2.462 10 30 CEEERO C[C@H]1CN(c2cccc(Br)c2C#N)C[C@H]1C[NH3+] ZINC000600960469 346718527 /nfs/dbraw/zinc/71/85/27/346718527.db2.gz ADPYTAFDEVSGDU-VHSXEESVSA-N 1 0 294.196 2.352 10 30 CEEERO N#CCOc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000085965500 179205670 /nfs/dbraw/zinc/20/56/70/179205670.db2.gz YQLYAKYMGGWHMI-GDBMZVCRSA-N 1 0 274.364 2.230 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000086081147 179227454 /nfs/dbraw/zinc/22/74/54/179227454.db2.gz CVAKZXXMOYJEQX-OZVIIMIRSA-N 1 0 288.366 2.300 10 30 CEEERO C[C@H](CNc1c(C#N)nnc2ccccc21)[NH+]1CCCC1 ZINC000086485423 179301275 /nfs/dbraw/zinc/30/12/75/179301275.db2.gz RYKOPDMVFRJLEL-GFCCVEGCSA-N 1 0 281.363 2.398 10 30 CEEERO CC1CCC(O)(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000087063137 179389534 /nfs/dbraw/zinc/38/95/34/179389534.db2.gz KEPJTGDALYBQEU-BLDCVEFLSA-N 1 0 288.391 2.122 10 30 CEEERO CCC1CCC(O)(C[NH2+]Cc2cccnc2C#N)CC1 ZINC000087065974 179390232 /nfs/dbraw/zinc/39/02/32/179390232.db2.gz RSGKKRUEMAVPIQ-UHFFFAOYSA-N 1 0 273.380 2.374 10 30 CEEERO CC(C)(C#N)CCC[NH+]1CCN(C(C)(C)C#N)CC1 ZINC000087598813 179451998 /nfs/dbraw/zinc/45/19/98/179451998.db2.gz JAVOQIDTFJGMRH-UHFFFAOYSA-N 1 0 262.401 2.236 10 30 CEEERO N#Cc1cccc([C@H]2CNc3ccccc3N2CC[NH3+])c1 ZINC000616586588 348526675 /nfs/dbraw/zinc/52/66/75/348526675.db2.gz YHAACQNKWDWWPX-QGZVFWFLSA-N 1 0 278.359 2.490 10 30 CEEERO N#Cc1ccc([C@H]2c3ccccc3CC[N@H+]2CCO)cc1 ZINC000616679133 348558215 /nfs/dbraw/zinc/55/82/15/348558215.db2.gz QXZPCSABUXQIJD-SFHVURJKSA-N 1 0 278.355 2.498 10 30 CEEERO N#Cc1ncccc1CN1CC[NH2+]CC12CCCCC2 ZINC000088396563 179591321 /nfs/dbraw/zinc/59/13/21/179591321.db2.gz SSWRDPBHOGQXDS-UHFFFAOYSA-N 1 0 270.380 2.061 10 30 CEEERO N#Cc1cc2c(nc1N[C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000089108515 179704168 /nfs/dbraw/zinc/70/41/68/179704168.db2.gz ZSBDKNUBDBSOPG-SWLSCSKDSA-N 1 0 270.380 2.371 10 30 CEEERO CN(C(=O)c1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089131935 179713531 /nfs/dbraw/zinc/71/35/31/179713531.db2.gz OGTHQFFRDMNVKB-LSDHHAIUSA-N 1 0 271.364 2.148 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1OC[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089538933 179814031 /nfs/dbraw/zinc/81/40/31/179814031.db2.gz GNFJJODIBPFAFI-MNOVXSKESA-N 1 0 275.308 2.220 10 30 CEEERO N#Cc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2CO)c1 ZINC000089504786 179806670 /nfs/dbraw/zinc/80/66/70/179806670.db2.gz ZVYLJLKKLFOAEA-CVEARBPZSA-N 1 0 258.365 2.447 10 30 CEEERO CC1(C)[C@@H]2C[NH2+]C[C@@H]2CN1c1cccc(F)c1C#N ZINC000090338613 179966671 /nfs/dbraw/zinc/96/66/71/179966671.db2.gz HHXRJNDOLKELCJ-ZYHUDNBSSA-N 1 0 259.328 2.132 10 30 CEEERO N#Cc1ccccc1Cn1cc(CC[NH3+])c2cccnc21 ZINC000091021494 180088782 /nfs/dbraw/zinc/08/87/82/180088782.db2.gz DRNXKRYMMDEOCU-UHFFFAOYSA-N 1 0 276.343 2.457 10 30 CEEERO CC[C@H]([NH3+])[C@@](O)(c1cc(F)cc(C#N)c1)C(F)(F)F ZINC000091332087 180135983 /nfs/dbraw/zinc/13/59/83/180135983.db2.gz FPOGQEZJUCATSL-QWRGUYRKSA-N 1 0 276.233 2.185 10 30 CEEERO C[C@@H](CCO)SCc1ccc(F)c(C#CC[NH3+])c1 ZINC000091266356 180117303 /nfs/dbraw/zinc/11/73/03/180117303.db2.gz YABJZMGWQPMOBT-NSHDSACASA-N 1 0 267.369 2.140 10 30 CEEERO C[C@@H](CCO)SCc1ccc(C#CC[NH3+])cc1F ZINC000091266319 180117308 /nfs/dbraw/zinc/11/73/08/180117308.db2.gz MQJHKRAFZKSEOR-NSHDSACASA-N 1 0 267.369 2.140 10 30 CEEERO N#Cc1ccc(OC2CC([NH3+])C2)cc1C(F)(F)F ZINC000091451810 180159198 /nfs/dbraw/zinc/15/91/98/180159198.db2.gz YOPCHZCEXQEKCV-UHFFFAOYSA-N 1 0 256.227 2.446 10 30 CEEERO CCCCC[C@H](C)NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462154 180162168 /nfs/dbraw/zinc/16/21/68/180162168.db2.gz CBOQLFLAATUPMT-ZDUSSCGKSA-N 1 0 273.380 2.090 10 30 CEEERO CC[C@H]1CCC[C@@H](NC(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091463586 180162407 /nfs/dbraw/zinc/16/24/07/180162407.db2.gz BIVHYDUCTSYBRB-DZGCQCFKSA-N 1 0 285.391 2.090 10 30 CEEERO CC1(C)C(C(=O)NCc2cc(C#CC[NH3+])cs2)C1(C)C ZINC000091493013 180170859 /nfs/dbraw/zinc/17/08/59/180170859.db2.gz JNWJGAXXLSHJAQ-UHFFFAOYSA-N 1 0 290.432 2.357 10 30 CEEERO C=C(CC)C[C@H]([NH2+]CC)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000091721948 180241050 /nfs/dbraw/zinc/24/10/50/180241050.db2.gz BHNYIYPYXPQKJG-ILXRZTDVSA-N 1 0 252.402 2.184 10 30 CEEERO CCN(c1nc(C)ccc1C#N)C1CCC([NH3+])CC1 ZINC000091851214 180272674 /nfs/dbraw/zinc/27/26/74/180272674.db2.gz LXKCIVDQHBLXCX-UHFFFAOYSA-N 1 0 258.369 2.358 10 30 CEEERO C[C@@H]1CCCN(C(=O)Nc2cccc(C#CC[NH3+])c2)C1 ZINC000091992416 180300252 /nfs/dbraw/zinc/30/02/52/180300252.db2.gz KELUKRRCIUCDHX-CYBMUJFWSA-N 1 0 271.364 2.261 10 30 CEEERO C[C@@H]1CCCN(C(=O)Nc2ccc(C#CC[NH3+])cc2)C1 ZINC000091992407 180300573 /nfs/dbraw/zinc/30/05/73/180300573.db2.gz SLWQOFQVIBVYSL-CYBMUJFWSA-N 1 0 271.364 2.261 10 30 CEEERO C=C[C@@H](C)Oc1ccc(C)nc1C[NH2+]CCOC ZINC000091996579 180301942 /nfs/dbraw/zinc/30/19/42/180301942.db2.gz XLIYXJNJYQEZRW-GFCCVEGCSA-N 1 0 250.342 2.079 10 30 CEEERO C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000092132999 180330772 /nfs/dbraw/zinc/33/07/72/180330772.db2.gz CASDKGNHDUMKFR-NSHDSACASA-N 1 0 259.353 2.282 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000105996709 186096464 /nfs/dbraw/zinc/09/64/64/186096464.db2.gz NVOZQCMEVIVRIS-LLVKDONJSA-N 1 0 250.317 2.121 10 30 CEEERO CC(C)[C@@H](CO)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000092392504 180375816 /nfs/dbraw/zinc/37/58/16/180375816.db2.gz LXIVYUDQTFEJOA-HWOWSKLDSA-N 1 0 258.365 2.217 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2ccc3c(c2)CCN3C)c1N ZINC000106832711 186137512 /nfs/dbraw/zinc/13/75/12/186137512.db2.gz UWSSRDBKJSPCFJ-UHFFFAOYSA-N 1 0 266.348 2.066 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2cccc(OCC)c2)c1N ZINC000106832695 186138120 /nfs/dbraw/zinc/13/81/20/186138120.db2.gz QKTNIDJOGOQWAC-UHFFFAOYSA-N 1 0 255.321 2.473 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)C[NH2+]C(C)(C)C ZINC000092460735 180389809 /nfs/dbraw/zinc/38/98/09/180389809.db2.gz GIIURWGFIKQYOK-UHFFFAOYSA-N 1 0 263.316 2.332 10 30 CEEERO C[N@@H+](Cc1ccc(F)cc1C#CCO)C[C@@H]1CCCOC1 ZINC000111168280 186363797 /nfs/dbraw/zinc/36/37/97/186363797.db2.gz UXUGXOJMHKYYBO-AWEZNQCLSA-N 1 0 291.366 2.028 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000111246847 186376148 /nfs/dbraw/zinc/37/61/48/186376148.db2.gz UWXGVVOFOPNRDK-CYBMUJFWSA-N 1 0 297.280 2.347 10 30 CEEERO CCC[NH2+][C@H](C)c1nnc(-c2ccc(C#N)cn2)o1 ZINC000111284433 186389243 /nfs/dbraw/zinc/38/92/43/186389243.db2.gz PPKMWHKYAQSSTN-SECBINFHSA-N 1 0 257.297 2.064 10 30 CEEERO CC1(C)CC2(CC(C)(C)[NH2+]C(C)(C)C2)C(=O)N1C[C@@H]1CO1 ZINC000141684289 187910244 /nfs/dbraw/zinc/91/02/44/187910244.db2.gz NXEKRGHBHLZGDE-GFCCVEGCSA-N 1 0 294.439 2.323 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000155753493 188225175 /nfs/dbraw/zinc/22/51/75/188225175.db2.gz DYJRVOUFOWYELT-DOMZBBRYSA-N 1 0 271.364 2.017 10 30 CEEERO N#Cc1cc(Br)cnc1N1CCCC[C@@H]1C[NH3+] ZINC000261553315 283087753 /nfs/dbraw/zinc/08/77/53/283087753.db2.gz NVOBQWMDKQTUJC-LLVKDONJSA-N 1 0 295.184 2.033 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180677464 189269415 /nfs/dbraw/zinc/26/94/15/189269415.db2.gz AJAYHIBSSXYSML-UONOGXRCSA-N 1 0 298.390 2.214 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc(C#N)cc1 ZINC000083551009 363780152 /nfs/dbraw/zinc/78/01/52/363780152.db2.gz LVOOIOWLVPVPIN-GDBMZVCRSA-N 1 0 285.391 2.106 10 30 CEEERO Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c(C#N)c(C)n1 ZINC000301798488 201205164 /nfs/dbraw/zinc/20/51/64/201205164.db2.gz UWBMDTXJVGLEFD-AWEZNQCLSA-N 1 0 272.396 2.348 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(C#N)(CC)CC ZINC000092630799 364089948 /nfs/dbraw/zinc/08/99/48/364089948.db2.gz IMVCHSYECXRSFT-ZDUSSCGKSA-N 1 0 265.401 2.259 10 30 CEEERO CC[C@H]([NH3+])CNc1nc(C(F)(F)F)ccc1C#N ZINC000094337463 364266483 /nfs/dbraw/zinc/26/64/83/364266483.db2.gz ZTCXLMUZZRTNIR-QMMMGPOBSA-N 1 0 258.247 2.121 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)cn1 ZINC000116323998 365051723 /nfs/dbraw/zinc/05/17/23/365051723.db2.gz FRURUMRIGHHODO-HNNXBMFYSA-N 1 0 266.348 2.281 10 30 CEEERO N#Cc1cc(CN2CCC[C@@H](n3cncn3)C2)ccc1F ZINC000119960677 365351385 /nfs/dbraw/zinc/35/13/85/365351385.db2.gz HDEIACKDDCCKBJ-CQSZACIVSA-N 1 0 285.326 2.126 10 30 CEEERO CC[C@H]1CN(Cc2cc(C#N)cs2)CC[N@@H+]1CCOC ZINC000120969662 365506084 /nfs/dbraw/zinc/50/60/84/365506084.db2.gz DDEAIHZHYMTOSV-AWEZNQCLSA-N 1 0 293.436 2.162 10 30 CEEERO C[NH2+][C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000161817048 367114943 /nfs/dbraw/zinc/11/49/43/367114943.db2.gz DLQFXEQUFOPEJF-LLVKDONJSA-N 1 0 280.169 2.119 10 30 CEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1C[C@@H]1C)C(C)C ZINC000246151238 370916920 /nfs/dbraw/zinc/91/69/20/370916920.db2.gz SYPHLZYVAJQXRV-SOUVJXGZSA-N 1 0 279.428 2.393 10 30 CEEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCCC#N ZINC000195234456 370116777 /nfs/dbraw/zinc/11/67/77/370116777.db2.gz YUVAEGVFWHEQHF-RDBSUJKOSA-N 1 0 264.369 2.486 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000248619349 371223872 /nfs/dbraw/zinc/22/38/72/371223872.db2.gz KMNBOBCRPPTTSV-BFHYXJOUSA-N 1 0 252.402 2.434 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C#N)c(F)c1 ZINC000248841058 371254182 /nfs/dbraw/zinc/25/41/82/371254182.db2.gz LMMYVYXAQWBPCQ-DOMZBBRYSA-N 1 0 273.355 2.366 10 30 CEEERO CC[N@@H+]1CC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000389478161 375304014 /nfs/dbraw/zinc/30/40/14/375304014.db2.gz WSGOYYPBTQGGNS-JTQLQIEISA-N 1 0 284.285 2.478 10 30 CEEERO CC(C)[C@H]([NH3+])CNc1ncc(Br)cc1C#N ZINC000309299404 376589440 /nfs/dbraw/zinc/58/94/40/376589440.db2.gz LORTVSXVMLUOLN-SNVBAGLBSA-N 1 0 283.173 2.111 10 30 CEEERO C[C@@H](CCCC[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000312830449 376728302 /nfs/dbraw/zinc/72/83/02/376728302.db2.gz NTMPPFWFWLFBNP-NSHDSACASA-N 1 0 269.352 2.431 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1cccs1)[C@@H](C)CC ZINC000036103423 542266613 /nfs/dbraw/zinc/26/66/13/542266613.db2.gz BBIODDJAVDPKQT-KBPBESRZSA-N 1 0 281.421 2.359 10 30 CEEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCCC(=O)NC1CC1 ZINC000092988204 184641434 /nfs/dbraw/zinc/64/14/34/184641434.db2.gz GLZSQRYUQLZIDS-JSGCOSHPSA-N 1 0 263.385 2.107 10 30 CEEERO CC[C@H]([NH3+])Cc1ccc(OCc2cccnc2C#N)cn1 ZINC000094216177 184764132 /nfs/dbraw/zinc/76/41/32/184764132.db2.gz GOQHVHAQJRAGDC-ZDUSSCGKSA-N 1 0 282.347 2.207 10 30 CEEERO C[C@@H]1CCCN(c2c(C#N)nnc3ccccc32)[C@@H]1C[NH3+] ZINC000085921048 135038569 /nfs/dbraw/zinc/03/85/69/135038569.db2.gz JJLAQHUIFMWQNE-IAQYHMDHSA-N 1 0 281.363 2.065 10 30 CEEERO C[C@H]1CN(c2nc3ccccc3cc2C#N)CC[C@@H]1[NH3+] ZINC000094342443 135086363 /nfs/dbraw/zinc/08/63/63/135086363.db2.gz IOUILIUGIMYAGU-FZMZJTMJSA-N 1 0 266.348 2.280 10 30 CEEERO Fc1ccc(C2(CCC[NH2+]CCS)OCCO2)cc1 ZINC000216081793 394450352 /nfs/dbraw/zinc/45/03/52/394450352.db2.gz RQYHPMQBHFYTLV-UHFFFAOYSA-N 1 0 285.384 2.325 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@H]1CCC[NH2+]C1 ZINC000071397641 394589423 /nfs/dbraw/zinc/58/94/23/394589423.db2.gz VXDBWQSCFQJCAN-LBPRGKRZSA-N 1 0 252.321 2.270 10 30 CEEERO C[C@H]1CC[NH2+]C[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000335655945 394785393 /nfs/dbraw/zinc/78/53/93/394785393.db2.gz DMIFKJMMSLHZOU-QPUJVOFHSA-N 1 0 251.280 2.246 10 30 CEEERO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000183226598 395253339 /nfs/dbraw/zinc/25/33/39/395253339.db2.gz UMSDGKVBJFBFGM-WFASDCNBSA-N 1 0 287.363 2.044 10 30 CEEERO N#Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)ccc1F ZINC000398994654 395241147 /nfs/dbraw/zinc/24/11/47/395241147.db2.gz JMVBESIQRNBQRL-AEGPPILISA-N 1 0 274.339 2.290 10 30 CEEERO CC(C)C1([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000292919493 395209284 /nfs/dbraw/zinc/20/92/84/395209284.db2.gz GCEVDGIBTRGMLN-CQSZACIVSA-N 1 0 274.364 2.076 10 30 CEEERO C(#Cc1ccccc1)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000192108500 395373157 /nfs/dbraw/zinc/37/31/57/395373157.db2.gz SIMBHFFXODFQQI-QGZVFWFLSA-N 1 0 254.377 2.208 10 30 CEEERO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000532749012 395460836 /nfs/dbraw/zinc/46/08/36/395460836.db2.gz VEBGZWFOJXTERO-ZFWWWQNUSA-N 1 0 269.348 2.371 10 30 CEEERO C[C@H](C[C@H](C)[NH3+])Nc1nc2c(cc1C#N)CCCC2 ZINC000320642090 297497746 /nfs/dbraw/zinc/49/77/46/297497746.db2.gz IGFMMXSIIBLDJC-WDEREUQCSA-N 1 0 258.369 2.370 10 30 CEEERO N#Cc1ccccc1/C=C/C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195073778 153278521 /nfs/dbraw/zinc/27/85/21/153278521.db2.gz RSXPWSJGGZETHQ-KBOKABMXSA-N 1 0 295.386 2.268 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000169107535 165034681 /nfs/dbraw/zinc/03/46/81/165034681.db2.gz LWYKXSVBWCUPAI-UWVGGRQHSA-N 1 0 294.196 2.494 10 30 CEEERO C#CCN1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000037231481 173050526 /nfs/dbraw/zinc/05/05/26/173050526.db2.gz TTXCPAAJPZUCGG-OAHLLOKOSA-N 1 0 256.393 2.477 10 30 CEEERO CCCCOCC[NH2+]Cc1cccc(OCC#N)c1 ZINC000040506823 174302001 /nfs/dbraw/zinc/30/20/01/174302001.db2.gz IWZRJFBQLAVTBW-UHFFFAOYSA-N 1 0 262.353 2.495 10 30 CEEERO C=CCOc1ccc(C[NH2+]CCc2nccn2C)cc1 ZINC000040638914 174363310 /nfs/dbraw/zinc/36/33/10/174363310.db2.gz OAQDQEPIPBHOMO-UHFFFAOYSA-N 1 0 271.364 2.317 10 30 CEEERO C[C@H]([NH2+]CCc1nccn1C)c1cccc(C#N)c1 ZINC000040639337 174363986 /nfs/dbraw/zinc/36/39/86/174363986.db2.gz AKPPQFUTZPWRNF-LBPRGKRZSA-N 1 0 254.337 2.185 10 30 CEEERO C[C@H]([NH2+]CC(=O)NCC#N)c1ccc2ccccc2c1 ZINC000181503547 414836359 /nfs/dbraw/zinc/83/63/59/414836359.db2.gz CZJFVRYXARLOGB-LBPRGKRZSA-N 1 0 267.332 2.130 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1cccnc1)N(CC)C[C@@H](C)C#N ZINC000043348188 175018480 /nfs/dbraw/zinc/01/84/80/175018480.db2.gz IASLGATXUYRJQR-AEGPPILISA-N 1 0 260.385 2.342 10 30 CEEERO N#Cc1c(F)cccc1O[C@@H](C[NH3+])c1ccncc1 ZINC000043356206 175023513 /nfs/dbraw/zinc/02/35/13/175023513.db2.gz WLOKBMAXYJNZQM-AWEZNQCLSA-N 1 0 257.268 2.171 10 30 CEEERO N#C[C@@H](c1ccc(Cl)c(F)c1)N1CCC[NH2+]CC1 ZINC000043390774 175033644 /nfs/dbraw/zinc/03/36/44/175033644.db2.gz GPWGMSUZVISSHW-ZDUSSCGKSA-N 1 0 267.735 2.339 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])s1)Cc1ccccn1 ZINC000043683712 175092015 /nfs/dbraw/zinc/09/20/15/175092015.db2.gz CHZGQCFOTRALTG-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO Cc1nn(Cc2ccc(C#CC[NH3+])s2)c(C)c1C ZINC000043684429 175093192 /nfs/dbraw/zinc/09/31/92/175093192.db2.gz NNAZVQGLEAKAKS-UHFFFAOYSA-N 1 0 259.378 2.228 10 30 CEEERO C[N@@H+]1CCC[C@H](NC(=O)C2(C#N)CCCCCC2)C1 ZINC000044766107 175249459 /nfs/dbraw/zinc/24/94/59/175249459.db2.gz JGTTWPGNDVZKRW-ZDUSSCGKSA-N 1 0 263.385 2.061 10 30 CEEERO CC(C)[C@@H](C#N)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000044809126 175257416 /nfs/dbraw/zinc/25/74/16/175257416.db2.gz XQTNLUFEEBRXAI-CYBMUJFWSA-N 1 0 253.390 2.017 10 30 CEEERO Cc1nnc(NC[C@@H](C)[NH+]2CCCCC2)c(C#N)c1C ZINC000045008791 175288762 /nfs/dbraw/zinc/28/87/62/175288762.db2.gz LLGWQVRFRFQTOB-LLVKDONJSA-N 1 0 273.384 2.251 10 30 CEEERO CC(C)N[C@](C)(C#N)CN1CCC([NH+]2CCCCC2)CC1 ZINC000045176712 175323286 /nfs/dbraw/zinc/32/32/86/175323286.db2.gz MIKKCRWXXBZCIA-QGZVFWFLSA-N 1 0 292.471 2.217 10 30 CEEERO CCN[C@](C)(C#N)CC[N@H+](CCOC)C(CC)CC ZINC000045183099 175325465 /nfs/dbraw/zinc/32/54/65/175325465.db2.gz MCAJSTYNAADGIR-HNNXBMFYSA-N 1 0 269.433 2.405 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CC[NH+](CCC)CC1 ZINC000045306444 175355526 /nfs/dbraw/zinc/35/55/26/175355526.db2.gz ZXKHHALLIXBASZ-MRXNPFEDSA-N 1 0 280.460 2.076 10 30 CEEERO CN[C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045314376 175356939 /nfs/dbraw/zinc/35/69/39/175356939.db2.gz IXLOOVQQCWPYOH-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](CCOC)C1CC1 ZINC000045316774 175358384 /nfs/dbraw/zinc/35/83/84/175358384.db2.gz MUYPZISDZYARKF-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[NH+]1CCN(C2CC2)CC1 ZINC000045320517 175359207 /nfs/dbraw/zinc/35/92/07/175359207.db2.gz LZPXTRAZCHAWJU-KRWDZBQOSA-N 1 0 292.471 2.217 10 30 CEEERO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2c(cc1C#N)CCCC2 ZINC000071190230 176066512 /nfs/dbraw/zinc/06/65/12/176066512.db2.gz FVEMOLMZMQKRSP-CYBMUJFWSA-N 1 0 284.407 2.220 10 30 CEEERO COCCN(CCC#N)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000071232852 176092701 /nfs/dbraw/zinc/09/27/01/176092701.db2.gz QVIPTDCKWGEEMF-GFCCVEGCSA-N 1 0 290.367 2.100 10 30 CEEERO [NH3+]CC#Cc1ccc(F)c(CN2CCCCCC2=O)c1 ZINC000071278327 176107816 /nfs/dbraw/zinc/10/78/16/176107816.db2.gz YCCJZXOXYHFMJF-UHFFFAOYSA-N 1 0 274.339 2.039 10 30 CEEERO Cc1cc(C#CC[NH3+])ccc1N1CCCCCC1=O ZINC000071278321 176107849 /nfs/dbraw/zinc/10/78/49/176107849.db2.gz ATSRWXIIJAVZLU-UHFFFAOYSA-N 1 0 256.349 2.212 10 30 CEEERO CCCN(Cc1cc(C#N)ccc1F)[C@H]1CC[NH2+]C1 ZINC000071332006 176125079 /nfs/dbraw/zinc/12/50/79/176125079.db2.gz YMGHEWOGIWUJPG-AWEZNQCLSA-N 1 0 261.344 2.271 10 30 CEEERO N#Cc1cc2ccccc2nc1OCC1CC[NH2+]CC1 ZINC000071386318 176147568 /nfs/dbraw/zinc/14/75/68/176147568.db2.gz YXTBUKIHUNHPIT-UHFFFAOYSA-N 1 0 267.332 2.485 10 30 CEEERO C[C@H](C#N)Oc1ccc(CC[NH3+])cc1C(F)(F)F ZINC000071399534 176152249 /nfs/dbraw/zinc/15/22/49/176152249.db2.gz SGNUCRGRHZYALB-MRVPVSSYSA-N 1 0 258.243 2.497 10 30 CEEERO C[C@@H](CC[NH3+])CCC(=O)N(C)c1cccc(C#N)c1 ZINC000079119945 177437671 /nfs/dbraw/zinc/43/76/71/177437671.db2.gz ZTWUAPJCTGVLJH-GFCCVEGCSA-N 1 0 259.353 2.286 10 30 CEEERO CCc1noc([C@@H](C)N2CC[NH+](CCCCC#N)CC2)n1 ZINC000105865470 261316963 /nfs/dbraw/zinc/31/69/63/261316963.db2.gz VOHSDJPXMCTCHU-CYBMUJFWSA-N 1 0 291.399 2.004 10 30 CEEERO CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000195278797 262248591 /nfs/dbraw/zinc/24/85/91/262248591.db2.gz ZNJMVKDOYRCQBV-INIZCTEOSA-N 1 0 272.396 2.139 10 30 CEEERO [NH2+]=C(NCC1CCC1)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000123770816 263816700 /nfs/dbraw/zinc/81/67/00/263816700.db2.gz HPUVSCUIKXVALP-QLFBSQMISA-N 1 0 255.365 2.029 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000132462131 274240982 /nfs/dbraw/zinc/24/09/82/274240982.db2.gz VZDVJVSOIOOQPY-NEPJUHHUSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000229600654 274632752 /nfs/dbraw/zinc/63/27/52/274632752.db2.gz BYHCJSRQHGLLPT-MWLCHTKSSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CCC[C@@H]([NH3+])C1 ZINC000041030312 274930430 /nfs/dbraw/zinc/93/04/30/274930430.db2.gz OWQVNRGCAPAHFE-GFCCVEGCSA-N 1 0 252.321 2.034 10 30 CEEERO C[NH2+]CCC1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000262037950 277266157 /nfs/dbraw/zinc/26/61/57/277266157.db2.gz BMZREECCAXGINE-UHFFFAOYSA-N 1 0 295.390 2.327 10 30 CEEERO CC1(C)CN(c2c(C#N)nnc3ccccc32)CC[C@H]1[NH3+] ZINC000261633082 278341501 /nfs/dbraw/zinc/34/15/01/278341501.db2.gz HWLRVXJDFLRIOB-CQSZACIVSA-N 1 0 281.363 2.065 10 30 CEEERO C[NH+]=C(NCC1CCOCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000179131658 329205572 /nfs/dbraw/zinc/20/55/72/329205572.db2.gz ZXUGQZNVGPATTL-GJZGRUSLSA-N 1 0 279.428 2.110 10 30 CEEERO Cc1c(C[NH2+]Cc2ccc(CC#N)cc2)cnn1C ZINC000398962739 329446769 /nfs/dbraw/zinc/44/67/69/329446769.db2.gz OFTAURBYPZAWIN-UHFFFAOYSA-N 1 0 254.337 2.084 10 30 CEEERO C[NH+]=C(NCC(C)C)N[C@@H]1CCc2cn(C(C)C)nc2C1 ZINC000262024965 329998632 /nfs/dbraw/zinc/99/86/32/329998632.db2.gz ZLMGGEBZGCIXSI-CQSZACIVSA-N 1 0 291.443 2.142 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)N1CCCC1 ZINC000262287102 330004262 /nfs/dbraw/zinc/00/42/62/330004262.db2.gz WWBYASAJJGBLAJ-ZWNOBZJWSA-N 1 0 279.334 2.492 10 30 CEEERO [NH2+]=C(NCCc1cccc2cccnc21)NCC1CCC1 ZINC000262287262 330004272 /nfs/dbraw/zinc/00/42/72/330004272.db2.gz MMWMAXZRYCDEHT-UHFFFAOYSA-N 1 0 282.391 2.482 10 30 CEEERO COC1CCC(C)(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000262424736 330009519 /nfs/dbraw/zinc/00/95/19/330009519.db2.gz CHEKEFHOOCOUFW-UHFFFAOYSA-N 1 0 255.406 2.285 10 30 CEEERO Cc1sc(CNC(=[NH2+])N2CCO[C@@H](C)C2)nc1C(C)C ZINC000262452656 330014048 /nfs/dbraw/zinc/01/40/48/330014048.db2.gz KDRZJFMRUKTFQT-JTQLQIEISA-N 1 0 296.440 2.110 10 30 CEEERO CC[NH+]=C(NCc1ccc2c(c1)OCO2)N[C@H]1CC1(C)C ZINC000262656519 330024835 /nfs/dbraw/zinc/02/48/35/330024835.db2.gz ZFCVEPQFIBVTMU-AWEZNQCLSA-N 1 0 289.379 2.269 10 30 CEEERO [NH2+]=C(NCc1c(F)cc(F)cc1F)NCC1CCC1 ZINC000263150336 330045903 /nfs/dbraw/zinc/04/59/03/330045903.db2.gz PHTZLTGQTPQTII-UHFFFAOYSA-N 1 0 271.286 2.308 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NC1CC(F)(F)C1 ZINC000263233588 330050074 /nfs/dbraw/zinc/05/00/74/330050074.db2.gz CUCOOHNUBVBDEP-UHFFFAOYSA-N 1 0 269.295 2.357 10 30 CEEERO C=CCC[C@H](CC)[NH2+]C1CC([N@H+](CC)CC(=O)[O-])C1 ZINC000263475518 330057213 /nfs/dbraw/zinc/05/72/13/330057213.db2.gz FGAOUNBVPRQBQO-HSBZDZAISA-N 1 0 268.401 2.258 10 30 CEEERO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCc2ccccc21 ZINC000424078648 330221278 /nfs/dbraw/zinc/22/12/78/330221278.db2.gz QEWIISQKWDYRCI-CABCVRRESA-N 1 0 271.364 2.201 10 30 CEEERO C=CC[NH+]1CCC(N(CC)CC(=O)OC(C)(C)C)CC1 ZINC000190356130 333206030 /nfs/dbraw/zinc/20/60/30/333206030.db2.gz DGEKGJYDJSFNJP-UHFFFAOYSA-N 1 0 282.428 2.300 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)C1CCN(C)CC1 ZINC000068611454 520031789 /nfs/dbraw/zinc/03/17/89/520031789.db2.gz OXPMFUUJJFWHAG-GDBMZVCRSA-N 1 0 280.460 2.073 10 30 CEEERO CCCC[C@H](C)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000050890995 521147219 /nfs/dbraw/zinc/14/72/19/521147219.db2.gz FSDZTAGNUUMWBP-ZDUSSCGKSA-N 1 0 258.365 2.305 10 30 CEEERO C=CC[NH+](CC=C)C[C@@H](O)COCc1ccccc1 ZINC000068048756 518770562 /nfs/dbraw/zinc/77/05/62/518770562.db2.gz QMPNWMBIVZGSOB-MRXNPFEDSA-N 1 0 261.365 2.238 10 30 CEEERO C=CC[C@@H](CO)[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000184270599 519103991 /nfs/dbraw/zinc/10/39/91/519103991.db2.gz QIQDXPYYVXOCTA-AWEZNQCLSA-N 1 0 274.368 2.039 10 30 CEEERO CCCCCCCCCC(=O)NCCOCC[NH3+] ZINC000101457254 519977513 /nfs/dbraw/zinc/97/75/13/519977513.db2.gz SLDQQHZXLVPQQM-UHFFFAOYSA-N 1 0 258.406 2.219 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615188 520103356 /nfs/dbraw/zinc/10/33/56/520103356.db2.gz LJMPCZAWTGUISL-XHSDSOJGSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000068611945 520225255 /nfs/dbraw/zinc/22/52/55/520225255.db2.gz BFIOWRIEMPWZNG-HOCLYGCPSA-N 1 0 274.412 2.226 10 30 CEEERO CCC[C@@]1(C(=O)N(C)c2cccc(C#N)c2)CC[NH2+]C1 ZINC000062910527 520941352 /nfs/dbraw/zinc/94/13/52/520941352.db2.gz PYMUHLAOGINUPO-MRXNPFEDSA-N 1 0 271.364 2.301 10 30 CEEERO CCOC(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061692070 520993702 /nfs/dbraw/zinc/99/37/02/520993702.db2.gz ZRBVWZUFHLWGHP-UHFFFAOYSA-N 1 0 252.701 2.219 10 30 CEEERO CCC(CC)C(=O)NCc1ccc(C#CC[NH3+])cc1 ZINC000049586312 521498826 /nfs/dbraw/zinc/49/88/26/521498826.db2.gz HKESDERULMCYLR-UHFFFAOYSA-N 1 0 258.365 2.049 10 30 CEEERO CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000061644197 521837340 /nfs/dbraw/zinc/83/73/40/521837340.db2.gz AJVZMHCVDZOLCD-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO CC[C@@H]1CCCC[C@H]1NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629641 523222498 /nfs/dbraw/zinc/22/24/98/523222498.db2.gz FOOCXHDWWBIYGY-GDBMZVCRSA-N 1 0 285.391 2.090 10 30 CEEERO C[N@@H+](Cc1ccc(F)cc1C#CCCO)C[C@H]1CCCO1 ZINC000049614164 523253144 /nfs/dbraw/zinc/25/31/44/523253144.db2.gz NWZJBXZXAKNKPC-QGZVFWFLSA-N 1 0 291.366 2.170 10 30 CEEERO C[N@H+](Cc1ccc(F)cc1C#CCCO)[C@H]1CCSC1 ZINC000049617850 523254356 /nfs/dbraw/zinc/25/43/56/523254356.db2.gz PISSBHQQTSXDRE-INIZCTEOSA-N 1 0 293.407 2.497 10 30 CEEERO C[N@@H+](Cc1ccccc1C#CCCO)C[C@H]1CCCCO1 ZINC000049613688 523357291 /nfs/dbraw/zinc/35/72/91/523357291.db2.gz UTQYQZXKZMDCLT-GOSISDBHSA-N 1 0 287.403 2.421 10 30 CEEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C#CCO)c1 ZINC000049614703 523516647 /nfs/dbraw/zinc/51/66/47/523516647.db2.gz ZXCCEKGUVQBQRB-RHSMWYFYSA-N 1 0 273.376 2.030 10 30 CEEERO CC[C@H](C#N)Oc1cc(C[NH2+]CCOC)ccc1OC ZINC000062732652 523750002 /nfs/dbraw/zinc/75/00/02/523750002.db2.gz GRFFADKJLLLJAM-CYBMUJFWSA-N 1 0 278.352 2.112 10 30 CEEERO CC[C@H](C)C(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586851 523821859 /nfs/dbraw/zinc/82/18/59/523821859.db2.gz MBCQAJDCYVZNBG-ZDUSSCGKSA-N 1 0 258.365 2.001 10 30 CEEERO CN(C(=O)Nc1cccc(C#N)c1)[C@@H]1CCC[NH2+]CC1 ZINC000226459762 523887665 /nfs/dbraw/zinc/88/76/65/523887665.db2.gz GGFMPZSQZMECIG-CQSZACIVSA-N 1 0 272.352 2.164 10 30 CEEERO CC[C@H](C)[NH+]1CCN(c2ccc(N)cc2C#N)CC1 ZINC000055066239 523960494 /nfs/dbraw/zinc/96/04/94/523960494.db2.gz WYKMFLQRWFTWLR-LBPRGKRZSA-N 1 0 258.369 2.061 10 30 CEEERO C[C@@H]1CCCC[N@@H+]1CCOc1cccc(C#CCO)c1 ZINC000049615710 524111870 /nfs/dbraw/zinc/11/18/70/524111870.db2.gz NOZRUAFARXWZHT-OAHLLOKOSA-N 1 0 273.376 2.284 10 30 CEEERO C[C@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)CC1CCOCC1 ZINC000068616540 524652179 /nfs/dbraw/zinc/65/21/79/524652179.db2.gz YCUNBVGRWZYXFG-CZUORRHYSA-N 1 0 279.428 2.158 10 30 CEEERO C[C@H](NC(=O)Cc1cccs1)c1cccc(C#CC[NH3+])c1 ZINC000049587247 524990527 /nfs/dbraw/zinc/99/05/27/524990527.db2.gz XJUFHTATKPVNCJ-ZDUSSCGKSA-N 1 0 298.411 2.478 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050948604 526470364 /nfs/dbraw/zinc/47/03/64/526470364.db2.gz ARDGIDZSTRQPRF-MRXNPFEDSA-N 1 0 285.391 2.461 10 30 CEEERO N#Cc1cc(O[C@@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068771698 526575152 /nfs/dbraw/zinc/57/51/52/526575152.db2.gz UQAKMFFKSIJPSC-GFCCVEGCSA-N 1 0 253.305 2.237 10 30 CEEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)c2ccsc2)c1 ZINC000049587027 527151399 /nfs/dbraw/zinc/15/13/99/527151399.db2.gz DPLGDWAVXNYZAX-UHFFFAOYSA-N 1 0 288.347 2.127 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)c2ccc(F)cc2)c1 ZINC000049586505 527151938 /nfs/dbraw/zinc/15/19/38/527151938.db2.gz GYFHPPXNXICFPP-UHFFFAOYSA-N 1 0 282.318 2.066 10 30 CEEERO [NH3+]CC#Cc1cccc(COC[C@H]2CCCCO2)c1 ZINC000049610765 527153178 /nfs/dbraw/zinc/15/31/78/527153178.db2.gz KJJLVXDBLHEJDI-MRXNPFEDSA-N 1 0 259.349 2.083 10 30 CEEERO [NH3+]CC#Cc1cccc(COc2ccc([N+](=O)[O-])cc2)c1 ZINC000049611125 527153605 /nfs/dbraw/zinc/15/36/05/527153605.db2.gz BEJCFSBQUKVFLR-UHFFFAOYSA-N 1 0 282.299 2.484 10 30 CEEERO Cn1cc(SCc2ccc(F)cc2C#CC[NH3+])cn1 ZINC000049612945 527291283 /nfs/dbraw/zinc/29/12/83/527291283.db2.gz IRPKALLJFFINKW-UHFFFAOYSA-N 1 0 275.352 2.162 10 30 CEEERO Cn1cc(SCc2cccc(C#CC[NH3+])c2)cn1 ZINC000049612943 527292359 /nfs/dbraw/zinc/29/23/59/527292359.db2.gz GVVXYOXQWDUIOY-UHFFFAOYSA-N 1 0 257.362 2.023 10 30 CEEERO C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000093216184 623583727 /nfs/dbraw/zinc/58/37/27/623583727.db2.gz CTGCCKVWLYFQBF-QWHCGFSZSA-N 1 0 266.385 2.435 10 30 CEEERO COc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1C#N ZINC000135672434 624672980 /nfs/dbraw/zinc/67/29/80/624672980.db2.gz FIWJHHWTJHKDGK-HUUCEWRRSA-N 1 0 274.364 2.350 10 30 CEEERO N#Cc1sc(N[C@H]2CCC[C@H]2C[NH3+])nc1Cl ZINC000236181304 628974687 /nfs/dbraw/zinc/97/46/87/628974687.db2.gz HWUHSLJPLOAQJV-BQBZGAKWSA-N 1 0 256.762 2.207 10 30 CEEERO N#Cc1ncccc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000261740855 629174337 /nfs/dbraw/zinc/17/43/37/629174337.db2.gz LXUTVUXLKZAOPC-INIZCTEOSA-N 1 0 264.332 2.252 10 30 CEEERO C#CCCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000173563649 639866442 /nfs/dbraw/zinc/86/64/42/639866442.db2.gz IVDYHGOISAPSQS-OAHLLOKOSA-N 1 0 273.380 2.002 10 30 CEEERO C#CCCCCC(=O)N1CC[N@@H+](CCOCC)[C@H](CC)C1 ZINC000180188789 641426239 /nfs/dbraw/zinc/42/62/39/641426239.db2.gz WTIYAXBCBBCFJM-MRXNPFEDSA-N 1 0 294.439 2.139 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000070175101 641641344 /nfs/dbraw/zinc/64/13/44/641641344.db2.gz IMNTWEOGVFBTOC-WDEREUQCSA-N 1 0 274.324 2.030 10 30 CEEERO C#C[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000123113896 648796023 /nfs/dbraw/zinc/79/60/23/648796023.db2.gz OIXACPIGYRHORQ-WDEREUQCSA-N 1 0 263.337 2.385 10 30 CEEERO C[C@@H]([NH2+]CC(=O)NCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039593 649719927 /nfs/dbraw/zinc/71/99/27/649719927.db2.gz XEUWNXAARGVFIG-JISDDCRVSA-N 1 0 289.423 2.211 10 30 CEEERO N#Cc1cc2ccccc2nc1NC[C@@H]([NH3+])C1CC1 ZINC000129307363 651907425 /nfs/dbraw/zinc/90/74/25/651907425.db2.gz ZKDQCORXQKDLIW-CYBMUJFWSA-N 1 0 252.321 2.256 10 30 CEEERO C=C[C@@H]([NH3+])c1ccccc1I ZINC000095779237 185028336 /nfs/dbraw/zinc/02/83/36/185028336.db2.gz DAKNNJPOUMXWGN-SECBINFHSA-N 1 0 259.090 2.477 10 30 CEEERO CC1(C)CC[C@@](C#N)(N2CC[NH2+]CC2)c2ccccc21 ZINC000034963798 361801510 /nfs/dbraw/zinc/80/15/10/361801510.db2.gz WVLSIOJWEONDKP-KRWDZBQOSA-N 1 0 269.392 2.382 10 30 CEEERO CC(C)([NH3+])C#Cc1c[nH]c2cncc(Br)c12 ZINC000725245977 539191803 /nfs/dbraw/zinc/19/18/03/539191803.db2.gz NQGSLSUENAJRRF-UHFFFAOYSA-N 1 0 278.153 2.414 10 30 CEEERO N#CNC(=N)CCCOc1cccc(C[NH+]2CCCC2)c1 ZINC000027985333 343395194 /nfs/dbraw/zinc/39/51/94/343395194.db2.gz PPVQIRIFAHZSPH-UHFFFAOYSA-N 1 0 286.379 2.280 10 30 CEEERO C[C@H]1C[NH2+]CCN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000034472666 343420105 /nfs/dbraw/zinc/42/01/05/343420105.db2.gz GGWUVDPHMQZODB-VIFPVBQESA-N 1 0 269.270 2.375 10 30 CEEERO CC[C@@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@@H]1[NH3+] ZINC000123053680 344308647 /nfs/dbraw/zinc/30/86/47/344308647.db2.gz ZXEJYONKJSYAAY-YPMHNXCESA-N 1 0 281.363 2.065 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCO1 ZINC000156548205 344442456 /nfs/dbraw/zinc/44/24/56/344442456.db2.gz PVEAUWZQUJHITD-NOZJJQNGSA-N 1 0 299.296 2.129 10 30 CEEERO Cc1cc(Br)c(NC(N)=[NH+]N)cc1Cl ZINC000164602544 344472321 /nfs/dbraw/zinc/47/23/21/344472321.db2.gz WBYJZIFEMXXSPT-UHFFFAOYSA-N 1 0 277.553 2.011 10 30 CEEERO N#Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C(F)(F)F ZINC000209513086 344530619 /nfs/dbraw/zinc/53/06/19/344530619.db2.gz DEPSHEBSQBANMW-MFKMUULPSA-N 1 0 281.281 2.375 10 30 CEEERO CCC[C@H]1C[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000233400742 344581645 /nfs/dbraw/zinc/58/16/45/344581645.db2.gz TZGJBBXLYPKZLJ-DZGCQCFKSA-N 1 0 292.404 2.110 10 30 CEEERO CC[C@H]1CN(c2nc(C)cc(C)c2C#N)CC[C@H]1[NH3+] ZINC000251589821 344636940 /nfs/dbraw/zinc/63/69/40/344636940.db2.gz CPWMKHOLDRSDKH-GXTWGEPZSA-N 1 0 258.369 2.134 10 30 CEEERO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(C#N)c2)CC[C@H]1[NH3+] ZINC000252704173 344641292 /nfs/dbraw/zinc/64/12/92/344641292.db2.gz MJEYUFNUOCPTNX-GXFFZTMASA-N 1 0 274.324 2.030 10 30 CEEERO COc1ccc([C@@](C#N)(CC#CC[NH3+])C(C)C)cc1OC ZINC000584594539 344961444 /nfs/dbraw/zinc/96/14/44/344961444.db2.gz LNXJFUWTABNGSZ-QGZVFWFLSA-N 1 0 286.375 2.473 10 30 CEEERO CCC[NH2+][C@H](C)c1cccc(SCC(=O)NCC#N)c1 ZINC000084126263 178798349 /nfs/dbraw/zinc/79/83/49/178798349.db2.gz SCRHAMTYYXQURM-GFCCVEGCSA-N 1 0 291.420 2.479 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000596030195 345926014 /nfs/dbraw/zinc/92/60/14/345926014.db2.gz NVFAHIYNLJSTJO-GFCCVEGCSA-N 1 0 262.313 2.252 10 30 CEEERO CC(C)[C@H]([NH3+])CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000596026185 345924503 /nfs/dbraw/zinc/92/45/03/345924503.db2.gz FIYSEEUBAOQTKJ-LLVKDONJSA-N 1 0 262.313 2.252 10 30 CEEERO N#CCCN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccccc1 ZINC000085357537 179030745 /nfs/dbraw/zinc/03/07/45/179030745.db2.gz USUGNKSMJCNHPO-HUUCEWRRSA-N 1 0 271.364 2.451 10 30 CEEERO N#CCCN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000085357540 179030835 /nfs/dbraw/zinc/03/08/35/179030835.db2.gz CUGZAHQLKILSNN-KGLIPLIRSA-N 1 0 257.337 2.061 10 30 CEEERO N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085358867 179031214 /nfs/dbraw/zinc/03/12/14/179031214.db2.gz WMWOLQPJYHACIK-SKDRFNHKSA-N 1 0 261.300 2.153 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)cc2Br)C[C@H]1C[NH3+] ZINC000600962145 346719688 /nfs/dbraw/zinc/71/96/88/346719688.db2.gz ZBLZXQMGYNNSMX-GXSJLCMTSA-N 1 0 294.196 2.352 10 30 CEEERO C[C@]1(CNc2ccc(C#N)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000129319579 365846282 /nfs/dbraw/zinc/84/62/82/365846282.db2.gz XJHLXGQAVIHXAZ-AWEZNQCLSA-N 1 0 274.324 2.268 10 30 CEEERO C[C@@H]1[C@@H](C)CC[C@@H]1NC(=O)c1ccccc1C#CC[NH3+] ZINC000086081127 179227464 /nfs/dbraw/zinc/22/74/64/179227464.db2.gz UTDYKKDSNZYXRF-ZENOOKHLSA-N 1 0 270.376 2.161 10 30 CEEERO C[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N(C)C ZINC000086037363 179221089 /nfs/dbraw/zinc/22/10/89/179221089.db2.gz QOGFCPSXUZLAKH-IUDNXUCKSA-N 1 0 257.381 2.150 10 30 CEEERO CCOC(=O)CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037863 179221482 /nfs/dbraw/zinc/22/14/82/179221482.db2.gz ZRODNZLMIDNXSX-UHFFFAOYSA-N 1 0 272.348 2.153 10 30 CEEERO Cn1cc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)cn1 ZINC000086037479 179221514 /nfs/dbraw/zinc/22/15/14/179221514.db2.gz CSHXSNUPNITVJI-UHFFFAOYSA-N 1 0 266.348 2.134 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)cn1 ZINC000128506647 187374969 /nfs/dbraw/zinc/37/49/69/187374969.db2.gz BYUFCRVERFGERX-NSHDSACASA-N 1 0 272.377 2.343 10 30 CEEERO C=CC[NH2+]CCNCc1cc(Br)cs1 ZINC000086140052 179237158 /nfs/dbraw/zinc/23/71/58/179237158.db2.gz YFDWSFZZKSNYSK-UHFFFAOYSA-N 1 0 275.215 2.376 10 30 CEEERO CCC[N@@H+]1CCC[C@](C#N)(NCC(F)(F)F)CC1 ZINC000086849673 179358135 /nfs/dbraw/zinc/35/81/35/179358135.db2.gz FIADHEKZZKYLEC-NSHDSACASA-N 1 0 263.307 2.297 10 30 CEEERO CCC(O)(CC)C[NH2+]Cc1cc(C#N)ccc1F ZINC000087028272 179381706 /nfs/dbraw/zinc/38/17/06/179381706.db2.gz JUQIPBIQUJITHX-UHFFFAOYSA-N 1 0 250.317 2.338 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H](CC)C[NH3+] ZINC000087525843 179441444 /nfs/dbraw/zinc/44/14/44/179441444.db2.gz WUOJTPIGARHFLO-OAHLLOKOSA-N 1 0 273.380 2.282 10 30 CEEERO N#Cc1ccc(-c2nnc(CC[NH2+]C3CC3)s2)cc1 ZINC000088823513 179678614 /nfs/dbraw/zinc/67/86/14/179678614.db2.gz HSQMLFZMLQENOD-UHFFFAOYSA-N 1 0 270.361 2.371 10 30 CEEERO COc1ccc(Cn2ccc(C[C@@H](C)[NH3+])c2)cc1C#N ZINC000091005880 180084776 /nfs/dbraw/zinc/08/47/76/180084776.db2.gz HNBRAIYQJOJLJY-GFCCVEGCSA-N 1 0 269.348 2.306 10 30 CEEERO Cc1cc([C@H](C#N)NCC[NH+](C)C)ccc1Br ZINC000091471462 180165276 /nfs/dbraw/zinc/16/52/76/180165276.db2.gz RRAMSGXHNFEQFO-ZDUSSCGKSA-N 1 0 296.212 2.473 10 30 CEEERO C[NH+](C)[C@@H]1CCCN(C[C@@H](C#N)c2ccccc2)C1 ZINC000091393406 180145515 /nfs/dbraw/zinc/14/55/15/180145515.db2.gz PPMWUWHQRQHGGL-HZPDHXFCSA-N 1 0 257.381 2.320 10 30 CEEERO C[NH+](C)[C@H]1CCCN(C[C@@H](C#N)c2ccccc2)C1 ZINC000091393407 180145744 /nfs/dbraw/zinc/14/57/44/180145744.db2.gz PPMWUWHQRQHGGL-CVEARBPZSA-N 1 0 257.381 2.320 10 30 CEEERO C=CCC[C@H]([NH2+]CCC)C(C)(C)N1CCOCC1 ZINC000091567190 180195111 /nfs/dbraw/zinc/19/51/11/180195111.db2.gz ASBWOGRPSHRPEH-AWEZNQCLSA-N 1 0 254.418 2.432 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091541338 180183756 /nfs/dbraw/zinc/18/37/56/180183756.db2.gz SWCZYULWIPAHGF-OCCSQVGLSA-N 1 0 289.354 2.173 10 30 CEEERO N#Cc1c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)sc2c1CCC2 ZINC000091546443 180186892 /nfs/dbraw/zinc/18/68/92/180186892.db2.gz QZDUOWVJWAUAOA-DTWKUNHWSA-N 1 0 275.377 2.174 10 30 CEEERO C=C(CC)C[C@@H]([NH3+])C1(N2CCOCC2)CCCC1 ZINC000091643054 180214245 /nfs/dbraw/zinc/21/42/45/180214245.db2.gz RSXNGHDRJTVUFT-CQSZACIVSA-N 1 0 252.402 2.315 10 30 CEEERO C#CCC[C@@H]([NH2+]CC)C1(N2CCOCC2)CCCC1 ZINC000091646298 180215772 /nfs/dbraw/zinc/21/57/72/180215772.db2.gz XSHRCLOBVILXCP-OAHLLOKOSA-N 1 0 264.413 2.023 10 30 CEEERO CC(C)[C@H]([NH3+])c1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091825650 180264703 /nfs/dbraw/zinc/26/47/03/180264703.db2.gz WOPGHKDSUKQUMV-HNNXBMFYSA-N 1 0 254.337 2.459 10 30 CEEERO CCC[NH2+][C@H](c1ccn(CC(=O)NCCC#N)c1)C(C)C ZINC000091828248 180265244 /nfs/dbraw/zinc/26/52/44/180265244.db2.gz BTQCOPYOHWHUTR-INIZCTEOSA-N 1 0 290.411 2.215 10 30 CEEERO C[NH2+]C1CCC(N(C)C(=O)C#Cc2ccccc2)CC1 ZINC000091872336 180277786 /nfs/dbraw/zinc/27/77/86/180277786.db2.gz ISYSBPSZLPKCBW-UHFFFAOYSA-N 1 0 270.376 2.027 10 30 CEEERO C[NH+]1CCC(O)([C@]2(C#N)CCc3ccccc3C2)CC1 ZINC000091878270 180278592 /nfs/dbraw/zinc/27/85/92/180278592.db2.gz ORBOCKJPFIDLCB-MRXNPFEDSA-N 1 0 270.376 2.142 10 30 CEEERO Cc1ccc(OCc2cccc(C#N)c2)c(C[NH3+])n1 ZINC000091993776 180301293 /nfs/dbraw/zinc/30/12/93/180301293.db2.gz VTFIPVPJJDMJSN-UHFFFAOYSA-N 1 0 253.305 2.299 10 30 CEEERO COCC[NH2+]Cc1nc(C)ccc1OCCCCC#N ZINC000091996491 180302176 /nfs/dbraw/zinc/30/21/76/180302176.db2.gz HZXDDSTZTVZGAO-UHFFFAOYSA-N 1 0 277.368 2.199 10 30 CEEERO Cc1ccc(OCc2cccnc2C#N)c(C[C@@H](C)[NH3+])n1 ZINC000091999872 180303476 /nfs/dbraw/zinc/30/34/76/180303476.db2.gz CEWFZBOBPBNAEQ-LLVKDONJSA-N 1 0 282.347 2.125 10 30 CEEERO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000092133214 180330627 /nfs/dbraw/zinc/33/06/27/180330627.db2.gz NINKJNJFXKACMS-MRVPVSSYSA-N 1 0 251.717 2.006 10 30 CEEERO CN(c1cccnn1)C1CC[NH+](CCCCC#N)CC1 ZINC000105807422 186073112 /nfs/dbraw/zinc/07/31/12/186073112.db2.gz UFPSOJNVZJIDPA-UHFFFAOYSA-N 1 0 273.384 2.071 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000092202819 180343404 /nfs/dbraw/zinc/34/34/04/180343404.db2.gz LAUAXWHNYNQRSN-VHSXEESVSA-N 1 0 295.264 2.419 10 30 CEEERO CC[C@@H](C#N)N1CC[NH+](C[C@H]2COc3ccccc32)CC1 ZINC000092301687 180359750 /nfs/dbraw/zinc/35/97/50/180359750.db2.gz BNVMCJNIZFLPET-GJZGRUSLSA-N 1 0 285.391 2.082 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2cc3c(c(Cl)c2)OCO3)c1N ZINC000106832678 186137939 /nfs/dbraw/zinc/13/79/39/186137939.db2.gz NZCNXVAFXDQZLX-UHFFFAOYSA-N 1 0 289.722 2.456 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc2oc(CC)nc2c1 ZINC000092474500 180393634 /nfs/dbraw/zinc/39/36/34/180393634.db2.gz JTKHZRKKCODIQP-UHFFFAOYSA-N 1 0 259.309 2.104 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000092474705 180394186 /nfs/dbraw/zinc/39/41/86/180394186.db2.gz OYRHECYUTLDXEO-UHFFFAOYSA-N 1 0 262.397 2.045 10 30 CEEERO CCCC(C#N)(CCC)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000110250179 186288688 /nfs/dbraw/zinc/28/86/88/186288688.db2.gz QKFHKHCUVWTCFA-ZDUSSCGKSA-N 1 0 265.401 2.259 10 30 CEEERO C[C@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000111265328 186381357 /nfs/dbraw/zinc/38/13/57/186381357.db2.gz LDFUXXRWDQSCOW-WPRPVWTQSA-N 1 0 297.280 2.371 10 30 CEEERO Cc1sc(NC(=O)[C@@H]2C[NH2+]C[C@@H]2C)c(C#N)c1C ZINC000111271634 186384563 /nfs/dbraw/zinc/38/45/63/186384563.db2.gz BNSIAKHFGGLPNQ-WRWORJQWSA-N 1 0 263.366 2.031 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000072878264 363176759 /nfs/dbraw/zinc/17/67/59/363176759.db2.gz OMNGUVSQHMWZPI-UWVGGRQHSA-N 1 0 268.307 2.306 10 30 CEEERO CCc1nnc(NC2CCC([NH3+])CC2)c(C#N)c1CC ZINC000135169994 187802717 /nfs/dbraw/zinc/80/27/17/187802717.db2.gz FBMIPMFKWLAURQ-UHFFFAOYSA-N 1 0 273.384 2.155 10 30 CEEERO Cc1nc(N(C)C[C@@H]2CC[N@H+](C)C2)c(Cl)cc1C#N ZINC000292331366 198248005 /nfs/dbraw/zinc/24/80/05/198248005.db2.gz AUPUAGPMVSHDKX-LLVKDONJSA-N 1 0 278.787 2.303 10 30 CEEERO CC(C)(C)OC(=O)N1CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675060403 540080754 /nfs/dbraw/zinc/08/07/54/540080754.db2.gz YNBDDQSHPRSSHA-GXTWGEPZSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](C[NH3+])C1 ZINC000094337355 283136263 /nfs/dbraw/zinc/13/62/63/283136263.db2.gz HAUVVCBCSYKQST-SECBINFHSA-N 1 0 284.285 2.147 10 30 CEEERO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)nn1 ZINC000301968632 283159922 /nfs/dbraw/zinc/15/99/22/283159922.db2.gz PRMFOBDKACOKFE-INIZCTEOSA-N 1 0 293.374 2.107 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCSCC#N ZINC000136073959 366494080 /nfs/dbraw/zinc/49/40/80/366494080.db2.gz XZAAKZJSEPOYAM-UONOGXRCSA-N 1 0 267.442 2.192 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000177140290 189031579 /nfs/dbraw/zinc/03/15/79/189031579.db2.gz IJPOYWPZPGMLLN-PWSUYJOCSA-N 1 0 277.393 2.078 10 30 CEEERO C[NH2+]C[C@@H]1CCCN1c1cc(C#N)c2ccccc2n1 ZINC000156671042 283567537 /nfs/dbraw/zinc/56/75/37/283567537.db2.gz WMMRELCHLWNIQA-ZDUSSCGKSA-N 1 0 266.348 2.295 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180677446 189269512 /nfs/dbraw/zinc/26/95/12/189269512.db2.gz AJAYHIBSSXYSML-KGLIPLIRSA-N 1 0 298.390 2.214 10 30 CEEERO COC(=O)C(C)(C)CNc1cc(C)nc(C)c1C#N ZINC000301752448 201176844 /nfs/dbraw/zinc/17/68/44/201176844.db2.gz BLXNYBVYNDVZFB-UHFFFAOYSA-N 1 0 261.325 2.181 10 30 CEEERO CC(C)[C@](O)(C(=O)CCC#CC[NH+](C)C)c1ccccc1 ZINC000026837486 361645455 /nfs/dbraw/zinc/64/54/55/361645455.db2.gz HZNPCOWQXODWBL-GOSISDBHSA-N 1 0 287.403 2.445 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cccc(C#N)c1 ZINC000092630737 364090377 /nfs/dbraw/zinc/09/03/77/364090377.db2.gz LDMFLZZKYVNEHV-OAHLLOKOSA-N 1 0 271.364 2.115 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000095081775 364335079 /nfs/dbraw/zinc/33/50/79/364335079.db2.gz MUWPCAJRGHXLEL-JTQLQIEISA-N 1 0 252.745 2.293 10 30 CEEERO C[C@H]1CCCN(c2ccc(C#N)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000094592270 364281100 /nfs/dbraw/zinc/28/11/00/364281100.db2.gz ATUUWLGWXYYHBA-IINYFYTJSA-N 1 0 274.324 2.030 10 30 CEEERO C=CCC[C@H]([NH2+]C[C@H](C)N1CCOCC1)C1CC1 ZINC000119993881 365357899 /nfs/dbraw/zinc/35/78/99/365357899.db2.gz NXJQXARQAXXUMO-ZFWWWQNUSA-N 1 0 252.402 2.042 10 30 CEEERO Cc1cc(C#N)cc(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000161093624 367056606 /nfs/dbraw/zinc/05/66/06/367056606.db2.gz OKRULNDUFUXAPS-ZFWWWQNUSA-N 1 0 270.380 2.325 10 30 CEEERO CCCC(=O)N[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000173878595 367954646 /nfs/dbraw/zinc/95/46/46/367954646.db2.gz PGGJTNLROJAWGB-CYBMUJFWSA-N 1 0 283.441 2.014 10 30 CEEERO N#Cc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000246251560 370936350 /nfs/dbraw/zinc/93/63/50/370936350.db2.gz WSJDXTVNNZFGEA-INIZCTEOSA-N 1 0 255.365 2.228 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1F ZINC000192027121 369765462 /nfs/dbraw/zinc/76/54/62/369765462.db2.gz DSHMUZCSXBNMSC-CQSZACIVSA-N 1 0 299.353 2.201 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)cn1 ZINC000192029303 369765539 /nfs/dbraw/zinc/76/55/39/369765539.db2.gz YLPNVUVBLHCWMG-CQSZACIVSA-N 1 0 284.338 2.420 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(Br)cc1C#N ZINC000229255467 370421596 /nfs/dbraw/zinc/42/15/96/370421596.db2.gz VGBXAPKNDKVIEK-ZJUUUORDSA-N 1 0 294.196 2.494 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1sccc1C#N ZINC000246996389 371043595 /nfs/dbraw/zinc/04/35/95/371043595.db2.gz PRZHQEWWFNCXBF-STQMWFEESA-N 1 0 289.404 2.319 10 30 CEEERO C=CC1CCN(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247444150 371108817 /nfs/dbraw/zinc/10/88/17/371108817.db2.gz SFIHESHFRUGQFF-DZGCQCFKSA-N 1 0 279.428 2.323 10 30 CEEERO CCc1nnc(N2CCC[C@@H]([C@H](C)[NH3+])C2)c(C#N)c1CC ZINC000250125684 371379002 /nfs/dbraw/zinc/37/90/02/371379002.db2.gz BWYUZZIALDFPTI-NWDGAFQWSA-N 1 0 287.411 2.037 10 30 CEEERO C=C(Br)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000252892888 371488957 /nfs/dbraw/zinc/48/89/57/371488957.db2.gz PAFJBGQREHYWIO-NEPJUHHUSA-N 1 0 273.218 2.454 10 30 CEEERO Cc1nc(N2C[C@H](C)[NH2+]C[C@@H]2C)c(Cl)cc1C#N ZINC000261566562 371652514 /nfs/dbraw/zinc/65/25/14/371652514.db2.gz IHQJBVTVJSLTOG-IUCAKERBSA-N 1 0 264.760 2.102 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382462454 375186317 /nfs/dbraw/zinc/18/63/17/375186317.db2.gz XEFGQWRJRMYLEW-GZMMTYOYSA-N 1 0 295.184 2.255 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000382480738 375188048 /nfs/dbraw/zinc/18/80/48/375188048.db2.gz WLZWHAKDSNDXGS-ONGXEEELSA-N 1 0 260.297 2.006 10 30 CEEERO O[C@@H]1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000398746583 375352956 /nfs/dbraw/zinc/35/29/56/375352956.db2.gz SMSCRGMXZMXYHX-YESZJQIVSA-N 1 0 255.361 2.131 10 30 CEEERO N#Cc1cnccc1NCC[NH2+]C1CCCCCC1 ZINC000399065260 375356431 /nfs/dbraw/zinc/35/64/31/375356431.db2.gz KJNUMHZLLULKJY-UHFFFAOYSA-N 1 0 258.369 2.099 10 30 CEEERO Cc1nc(N[C@@H](C)C[C@H](C)[NH3+])c(Cl)cc1C#N ZINC000320777602 376826993 /nfs/dbraw/zinc/82/69/93/376826993.db2.gz ZHCBXQBQVQOYRP-YUMQZZPRSA-N 1 0 252.749 2.453 10 30 CEEERO CC(C)C1([NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000293039051 377402657 /nfs/dbraw/zinc/40/26/57/377402657.db2.gz QNTYSTIQUJMUGI-UHFFFAOYSA-N 1 0 292.404 2.110 10 30 CEEERO N#Cc1ccc(N[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000086727351 184611238 /nfs/dbraw/zinc/61/12/38/184611238.db2.gz CTRWMUQKMIGCAV-VIFPVBQESA-N 1 0 266.142 2.095 10 30 CEEERO N#Cc1cc2c(nc1O[C@@H]1CCC[C@H]([NH3+])C1)CCC2 ZINC000093219857 184656685 /nfs/dbraw/zinc/65/66/85/184656685.db2.gz MJZBKICMOJOJDN-QWHCGFSZSA-N 1 0 257.337 2.091 10 30 CEEERO COC[C@@H]1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC000247844019 256696531 /nfs/dbraw/zinc/69/65/31/256696531.db2.gz LYZFZVHZDKLENZ-GVDBMIGSSA-N 1 0 286.375 2.327 10 30 CEEERO CC[C@@H](CC1CC1)NC(=O)c1csc(C#CC[NH3+])c1 ZINC000093976532 184747201 /nfs/dbraw/zinc/74/72/01/184747201.db2.gz COZPLFAZEHFERH-ZDUSSCGKSA-N 1 0 276.405 2.367 10 30 CEEERO N#Cc1cc(COc2c(F)cc(CC[NH3+])cc2F)ccn1 ZINC000094349839 184787004 /nfs/dbraw/zinc/78/70/04/184787004.db2.gz HYGNMOZOIUDCOU-UHFFFAOYSA-N 1 0 289.285 2.312 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCCC[C@@H]1[NH3+] ZINC000094751786 184853223 /nfs/dbraw/zinc/85/32/23/184853223.db2.gz QDQNALSDRBTHRS-GJZGRUSLSA-N 1 0 289.379 2.429 10 30 CEEERO Cc1cc(NC(=O)C[C@@H]2CCCCO2)ccc1C#CC[NH3+] ZINC000095032766 184919339 /nfs/dbraw/zinc/91/93/39/184919339.db2.gz RLVNISMKPVATGS-INIZCTEOSA-N 1 0 286.375 2.203 10 30 CEEERO C[C@H]1CC[C@H](C[NH3+])CN1c1c(C#N)nnc2ccccc21 ZINC000085921060 135038832 /nfs/dbraw/zinc/03/88/32/135038832.db2.gz AHXUXIUCAWFWIN-NWDGAFQWSA-N 1 0 281.363 2.065 10 30 CEEERO C[C@@H]1CN(c2nc3ccccc3cc2C#N)CC[C@@H]1[NH3+] ZINC000094342442 135086553 /nfs/dbraw/zinc/08/65/53/135086553.db2.gz IOUILIUGIMYAGU-RISCZKNCSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@H]1[NH3+] ZINC000251855497 394569744 /nfs/dbraw/zinc/56/97/44/394569744.db2.gz RXIWWPMBWKQHIG-QPUJVOFHSA-N 1 0 251.280 2.010 10 30 CEEERO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)CCC#N)o1 ZINC000182582384 395245463 /nfs/dbraw/zinc/24/54/63/395245463.db2.gz BGLHAONKGTTWME-GFCCVEGCSA-N 1 0 263.341 2.001 10 30 CEEERO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000181404221 395214629 /nfs/dbraw/zinc/21/46/29/395214629.db2.gz QJIAKOFGRJFXCO-CYBMUJFWSA-N 1 0 289.379 2.012 10 30 CEEERO C[C@@H]([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccs1 ZINC000193182225 395402965 /nfs/dbraw/zinc/40/29/65/395402965.db2.gz XBIHXVKHGFCBAZ-YGRLFVJLSA-N 1 0 277.393 2.207 10 30 CEEERO COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2O)ccc1C#N ZINC000234941325 153427672 /nfs/dbraw/zinc/42/76/72/153427672.db2.gz KWBAHVBBUDHENL-CABCVRRESA-N 1 0 274.364 2.350 10 30 CEEERO C[C@@]1(C[NH3+])CCN(c2ccc(C#N)cc2Br)C1 ZINC000261566625 153765210 /nfs/dbraw/zinc/76/52/10/153765210.db2.gz ZHDAAFQMRABZHF-ZDUSSCGKSA-N 1 0 294.196 2.496 10 30 CEEERO N#Cc1c(Br)cccc1N[C@@H]1CC[NH2+]C1 ZINC000165076227 162341403 /nfs/dbraw/zinc/34/14/03/162341403.db2.gz VYZBMMIIUCSGCX-MRVPVSSYSA-N 1 0 266.142 2.095 10 30 CEEERO CC(C)([NH3+])CNc1ccc(Br)cc1C#N ZINC000165308858 162343615 /nfs/dbraw/zinc/34/36/15/162343615.db2.gz BMGHNSBOPJGDKT-UHFFFAOYSA-N 1 0 268.158 2.470 10 30 CEEERO C[C@H]([NH3+])[C@H](C)Nc1ccc(Br)cc1C#N ZINC000261537884 162541849 /nfs/dbraw/zinc/54/18/49/162541849.db2.gz WNWOTWGSYJPPSZ-YUMQZZPRSA-N 1 0 268.158 2.468 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1 ZINC000020312055 171144631 /nfs/dbraw/zinc/14/46/31/171144631.db2.gz XXSIJBWLCBIHEC-SNVBAGLBSA-N 1 0 252.745 2.120 10 30 CEEERO C[C@H]([NH2+]CCc1nccn1C)c1ccc(C#N)cc1 ZINC000040638675 174363176 /nfs/dbraw/zinc/36/31/76/174363176.db2.gz DDMRFLHHKISPEM-LBPRGKRZSA-N 1 0 254.337 2.185 10 30 CEEERO C[C@H]([NH2+]CCc1nccn1C)c1ccc(OCC#N)cc1 ZINC000040639120 174363624 /nfs/dbraw/zinc/36/36/24/174363624.db2.gz RXZFQLJWYFKALK-ZDUSSCGKSA-N 1 0 284.363 2.216 10 30 CEEERO C[C@@H](C(=O)Nc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)C1 ZINC000040718182 174384816 /nfs/dbraw/zinc/38/48/16/174384816.db2.gz IEGAUSAOZKTAEZ-NEPJUHHUSA-N 1 0 257.337 2.227 10 30 CEEERO CC[NH2+][C@@H](C)c1ccc(NC(=O)N(CC#N)CC#N)cc1 ZINC000041710091 174612428 /nfs/dbraw/zinc/61/24/28/174612428.db2.gz IJOCDEWOCYBTJZ-LBPRGKRZSA-N 1 0 285.351 2.238 10 30 CEEERO CN(Cc1cc(C#CC[NH3+])cs1)C(=O)c1ccsc1 ZINC000042400489 174710098 /nfs/dbraw/zinc/71/00/98/174710098.db2.gz VJXSTKFWXRXTFP-UHFFFAOYSA-N 1 0 290.413 2.392 10 30 CEEERO C[C@H]([NH3+])[C@H](c1cnn(C)c1)N(CCC#N)c1ccccc1 ZINC000043126757 174978114 /nfs/dbraw/zinc/97/81/14/174978114.db2.gz CPPXGWMKSQXQML-XJKSGUPXSA-N 1 0 283.379 2.229 10 30 CEEERO N#CCc1ccc(O[C@@H](C[NH3+])c2ccccn2)cc1 ZINC000043341885 175015443 /nfs/dbraw/zinc/01/54/43/175015443.db2.gz BNZFIPVODPQBJB-HNNXBMFYSA-N 1 0 253.305 2.226 10 30 CEEERO Cn1cc(SCc2sccc2C#CC[NH3+])cn1 ZINC000043685931 175093494 /nfs/dbraw/zinc/09/34/94/175093494.db2.gz JPEPTJAQKKDKAA-UHFFFAOYSA-N 1 0 263.391 2.084 10 30 CEEERO [NH3+]CC#Cc1ccsc1CSc1nncs1 ZINC000043685680 175093631 /nfs/dbraw/zinc/09/36/31/175093631.db2.gz KZTJTQLNWKAECC-UHFFFAOYSA-N 1 0 267.404 2.202 10 30 CEEERO CC[C@H]1CO[C@@H](C)CN1Cc1cc(C#CC[NH3+])cs1 ZINC000043689016 175095481 /nfs/dbraw/zinc/09/54/81/175095481.db2.gz OUECPBZJTHMKIS-JSGCOSHPSA-N 1 0 278.421 2.058 10 30 CEEERO CCC[C@@H](C#N)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000044825884 175259255 /nfs/dbraw/zinc/25/92/55/175259255.db2.gz VUPUXEZIGFCQSA-QWHCGFSZSA-N 1 0 253.390 2.019 10 30 CEEERO CC[N@H+](CC[C@](C)(C#N)NC(C)C)[C@@H](C)COC ZINC000045181862 175324554 /nfs/dbraw/zinc/32/45/54/175324554.db2.gz SRDSHSISPSMSRS-UONOGXRCSA-N 1 0 255.406 2.014 10 30 CEEERO CCOC1CC[NH+](CC[C@@](C)(C#N)NC(C)C)CC1 ZINC000045181560 175324769 /nfs/dbraw/zinc/32/47/69/175324769.db2.gz SEQWWMXODFAJIW-HNNXBMFYSA-N 1 0 267.417 2.158 10 30 CEEERO CCCN[C@@](C)(C#N)CC[N@H+](CCOC)[C@@H](C)CC ZINC000045182720 175325370 /nfs/dbraw/zinc/32/53/70/175325370.db2.gz PNZJPMTXGNOSDK-LSDHHAIUSA-N 1 0 269.433 2.405 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1 ZINC000045311919 175357125 /nfs/dbraw/zinc/35/71/25/175357125.db2.gz XNKWINWQLBYKKO-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCN[C@@](C)(C#N)CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318487 175359078 /nfs/dbraw/zinc/35/90/78/175359078.db2.gz VAIJTKUAOVQTIQ-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[N@H+](C)CCOC ZINC000045319029 175359436 /nfs/dbraw/zinc/35/94/36/175359436.db2.gz HOPNVLASZWVOSS-AWEZNQCLSA-N 1 0 255.406 2.017 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000659328870 415518184 /nfs/dbraw/zinc/51/81/84/415518184.db2.gz JLRRKIXBDQSQGN-SYQHCUMBSA-N 1 0 250.386 2.365 10 30 CEEERO Cc1ccc(C#N)cc1N1CCC[C@H]([NH2+]C2CC2)C1=O ZINC000071042253 176028554 /nfs/dbraw/zinc/02/85/54/176028554.db2.gz KIMBJEDWLYURAB-AWEZNQCLSA-N 1 0 269.348 2.114 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000071189109 176064422 /nfs/dbraw/zinc/06/44/22/176064422.db2.gz IVOJHFAWUUZKNH-CYBMUJFWSA-N 1 0 261.344 2.081 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](N(CCC#N)CCOC)C(C)(C)C ZINC000071222215 176087737 /nfs/dbraw/zinc/08/77/37/176087737.db2.gz QMZHBTLIQAUFPL-CHWSQXEVSA-N 1 0 255.406 2.000 10 30 CEEERO C[NH2+][C@@H](C)c1cc(F)ccc1N(CCC#N)CCOC ZINC000071226008 176089823 /nfs/dbraw/zinc/08/98/23/176089823.db2.gz FZYNZDZFKUWMMV-LBPRGKRZSA-N 1 0 279.359 2.473 10 30 CEEERO Cc1ccncc1NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000071414777 176159979 /nfs/dbraw/zinc/15/99/79/176159979.db2.gz ZJIDRYQMPRAOPT-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000662630984 415913690 /nfs/dbraw/zinc/91/36/90/415913690.db2.gz OJWXEYGLVFGILC-HIFRSBDPSA-N 1 0 250.386 2.333 10 30 CEEERO Cc1c([C@H](C)[NH2+]Cc2cc(C#N)n(C)c2C)cnn1C ZINC000075784092 176784519 /nfs/dbraw/zinc/78/45/19/176784519.db2.gz VPRRPGBFYGVBJY-JTQLQIEISA-N 1 0 271.368 2.098 10 30 CEEERO C=C(C)CN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000180382050 260099950 /nfs/dbraw/zinc/09/99/50/260099950.db2.gz VZHLPSRRYAFKBD-OAHLLOKOSA-N 1 0 260.381 2.194 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c1 ZINC000398780040 268249050 /nfs/dbraw/zinc/24/90/50/268249050.db2.gz JTRGQGXJQJIKLZ-ARFHVFGLSA-N 1 0 256.349 2.151 10 30 CEEERO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000398987064 270365216 /nfs/dbraw/zinc/36/52/16/270365216.db2.gz FXIKAAMJKXRTBQ-YDHLFZDLSA-N 1 0 274.339 2.290 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2c(C#N)cnc3ccccc32)C1 ZINC000053204954 273971887 /nfs/dbraw/zinc/97/18/87/273971887.db2.gz LXYJXNOHHDKHKH-CYBMUJFWSA-N 1 0 266.348 2.295 10 30 CEEERO CCc1nnc(N2CC[C@@H]([NH3+])C(C)(C)C2)c(C#N)c1CC ZINC000261648042 276701538 /nfs/dbraw/zinc/70/15/38/276701538.db2.gz JHPBIWZAQDYYHI-CQSZACIVSA-N 1 0 287.411 2.037 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)CC[C@H]1[NH3+] ZINC000251831621 277914882 /nfs/dbraw/zinc/91/48/82/277914882.db2.gz PPLFPIMIKIZHAR-BXKDBHETSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)[C@H]1CCCO1 ZINC000183087333 278362130 /nfs/dbraw/zinc/36/21/30/278362130.db2.gz HEUBZYGQGDSFQL-TYNCELHUSA-N 1 0 287.363 2.042 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C1(C#N)CCCCC1 ZINC000092630750 279296679 /nfs/dbraw/zinc/29/66/79/279296679.db2.gz LKTBRWRQPIEDGU-CQSZACIVSA-N 1 0 277.412 2.403 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000216211598 279992549 /nfs/dbraw/zinc/99/25/49/279992549.db2.gz VLNIVLUZHKHKHT-WCBMZHEXSA-N 1 0 251.280 2.010 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1C#N ZINC000245441566 280240853 /nfs/dbraw/zinc/24/08/53/280240853.db2.gz VNDZHJIDNOMZAQ-SJORKVTESA-N 1 0 299.418 2.496 10 30 CEEERO CCn1cnnc1C1CC[NH+](CCCSCC#N)CC1 ZINC000173888975 329153238 /nfs/dbraw/zinc/15/32/38/329153238.db2.gz FCJRNPKRXFHYCQ-UHFFFAOYSA-N 1 0 293.440 2.124 10 30 CEEERO CC[NH+]=C(NCC(C)(C)OC)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261707885 329978822 /nfs/dbraw/zinc/97/88/22/329978822.db2.gz JSPHLMXOANREEM-OKILXGFUSA-N 1 0 281.444 2.499 10 30 CEEERO [NH2+]=C(N[C@H]1COc2cccc(Cl)c21)N1CCSCC1 ZINC000262262186 330003134 /nfs/dbraw/zinc/00/31/34/330003134.db2.gz GPUJJDZOUGELLK-JTQLQIEISA-N 1 0 297.811 2.137 10 30 CEEERO CC[NH+]=C(N[C@H](C)C(C)C)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262440626 330013072 /nfs/dbraw/zinc/01/30/72/330013072.db2.gz UOEGTEXDNNFMEW-XJFOESAGSA-N 1 0 281.444 2.400 10 30 CEEERO CC(C)c1nnc(CNC(=[NH2+])N2CCCCCC2)s1 ZINC000262450286 330013990 /nfs/dbraw/zinc/01/39/90/330013990.db2.gz DSRDMIRWYRAGDG-UHFFFAOYSA-N 1 0 281.429 2.352 10 30 CEEERO CCN(CC)C(=[NH2+])NC[C@@H](O)c1ccc(Cl)s1 ZINC000262519935 330019255 /nfs/dbraw/zinc/01/92/55/330019255.db2.gz HWNHXQLOQXZYNJ-MRVPVSSYSA-N 1 0 275.805 2.091 10 30 CEEERO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@]1(C)c1ccccc1OC ZINC000262656196 330024792 /nfs/dbraw/zinc/02/47/92/330024792.db2.gz KNKQVVJVBGRGOU-PEYYIBSZSA-N 1 0 275.396 2.428 10 30 CEEERO [NH2+]=C(NC[C@@H]1CC12CCOCC2)NC1CCCCC1 ZINC000262773398 330030568 /nfs/dbraw/zinc/03/05/68/330030568.db2.gz HRWRYSXZTDHXEL-LBPRGKRZSA-N 1 0 265.401 2.040 10 30 CEEERO [NH2+]=C(NC[C@@H]1CCO[C@H]1c1ccccc1)NC1CCC1 ZINC000263027600 330039459 /nfs/dbraw/zinc/03/94/59/330039459.db2.gz AYGQLFGZTMNJEJ-ZFWWWQNUSA-N 1 0 273.380 2.221 10 30 CEEERO C#CC[N@@H+](C[C@H](O)COCCCC)C1CCCC1 ZINC000195183141 333247560 /nfs/dbraw/zinc/24/75/60/333247560.db2.gz LGLXENSGDYJWPI-HNNXBMFYSA-N 1 0 253.386 2.042 10 30 CEEERO CN(CC[NH2+][C@H]1CCC[C@H]1C#N)Cc1ccccc1 ZINC000386745944 336177907 /nfs/dbraw/zinc/17/79/07/336177907.db2.gz ZPOYZFIWYNEOJP-HOTGVXAUSA-N 1 0 257.381 2.400 10 30 CEEERO CC[NH2+]CCC(=O)Nc1cccc(OCCCC#N)c1 ZINC000061293653 519918660 /nfs/dbraw/zinc/91/86/60/519918660.db2.gz GQKYNTYZZGHUTK-UHFFFAOYSA-N 1 0 275.352 2.307 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N(CCC)CC[NH+](C)C ZINC000068613925 520030599 /nfs/dbraw/zinc/03/05/99/520030599.db2.gz ZBNHLNQOSYGLOU-JKSUJKDBSA-N 1 0 282.476 2.320 10 30 CEEERO C#CC(C)(C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000070119293 518238743 /nfs/dbraw/zinc/23/87/43/518238743.db2.gz ZNUZSZHZIKOADE-UHFFFAOYSA-N 1 0 295.180 2.389 10 30 CEEERO C#CC[NH+]1CCC(Nc2ccccc2[C@@H](C)O)CC1 ZINC000049543032 518271130 /nfs/dbraw/zinc/27/11/30/518271130.db2.gz NQYJJWOLPATJAG-CYBMUJFWSA-N 1 0 258.365 2.249 10 30 CEEERO C#Cc1cccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)c1 ZINC000052881294 518364352 /nfs/dbraw/zinc/36/43/52/518364352.db2.gz SAXHUWSPTFLCLA-KRWDZBQOSA-N 1 0 264.328 2.481 10 30 CEEERO C=C(C)COc1ccc(C[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000062730734 518613922 /nfs/dbraw/zinc/61/39/22/518613922.db2.gz FVTRQSDBEGYWKW-UHFFFAOYSA-N 1 0 280.324 2.286 10 30 CEEERO C=C(C)COc1ccc(OC)cc1C[NH2+]CCOC ZINC000062727726 518614533 /nfs/dbraw/zinc/61/45/33/518614533.db2.gz YMPFMSLBVAEZED-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO CC(C)CCC[C@@H](C)NC(=O)c1cncc(C#CC[NH3+])c1 ZINC000049629652 519645177 /nfs/dbraw/zinc/64/51/77/519645177.db2.gz DYJLUUFPMVGXTC-CQSZACIVSA-N 1 0 287.407 2.336 10 30 CEEERO CC(C)C[NH+]1CCN([C@H](C)C[C@](C)(C#N)NC(C)C)CC1 ZINC000068615145 519727967 /nfs/dbraw/zinc/72/79/67/519727967.db2.gz ATQFAWFTAOSBEJ-IAGOWNOFSA-N 1 0 294.487 2.319 10 30 CEEERO CC(C)C[NH2+]Cc1ccc(-n2cnc(C#N)n2)c(F)c1 ZINC000062739000 519747147 /nfs/dbraw/zinc/74/71/47/519747147.db2.gz IGUFCGKCHZPGIE-UHFFFAOYSA-N 1 0 273.315 2.024 10 30 CEEERO CCCN[C@](C#N)(CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069080493 520100314 /nfs/dbraw/zinc/10/03/14/520100314.db2.gz WAYIIEPJPUFQNR-QGZVFWFLSA-N 1 0 292.471 2.074 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616542 520103406 /nfs/dbraw/zinc/10/34/06/520103406.db2.gz ADRCFBCQAGGMRM-ZBFHGGJFSA-N 1 0 281.444 2.405 10 30 CEEERO CC[N@H+](CCOc1cccc(C#CCCO)c1)C1CC1 ZINC000049617345 521149786 /nfs/dbraw/zinc/14/97/86/521149786.db2.gz WQPGZCMHOBRYCB-UHFFFAOYSA-N 1 0 273.376 2.284 10 30 CEEERO CCC[C@H]([NH2+]CC(=O)NCCC#N)c1cccs1 ZINC000049544892 521154751 /nfs/dbraw/zinc/15/47/51/521154751.db2.gz RVBAPHMYNMBXMJ-NSHDSACASA-N 1 0 265.382 2.209 10 30 CEEERO CN(C)C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1C#N ZINC000061644208 521837727 /nfs/dbraw/zinc/83/77/27/521837727.db2.gz YKKQKNDGUSDLMS-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO CN(C)C[C@H]1CCC[N@@H+]1CCCC[C@@](C)(C#N)NC1CC1 ZINC000061652806 521865085 /nfs/dbraw/zinc/86/50/85/521865085.db2.gz YJWXZEUHQKHKPC-SJORKVTESA-N 1 0 292.471 2.217 10 30 CEEERO COC[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049613859 522220470 /nfs/dbraw/zinc/22/04/70/522220470.db2.gz DRRAIJSOMBVYOB-CYBMUJFWSA-N 1 0 279.355 2.026 10 30 CEEERO COC1CC[NH+](Cc2ccc(F)cc2C#CCCO)CC1 ZINC000049618112 522705209 /nfs/dbraw/zinc/70/52/09/522705209.db2.gz LQHFQMMLIZZKNQ-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO C[N@H+](Cc1ccoc1)Cc1cccc(C#CCO)c1 ZINC000049614333 523474641 /nfs/dbraw/zinc/47/46/41/523474641.db2.gz OANCYFWQFRTTCA-UHFFFAOYSA-N 1 0 255.317 2.255 10 30 CEEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1[C@@H](C)C[C@@](C)(C#N)NC1CC1 ZINC000068613113 523517217 /nfs/dbraw/zinc/51/72/17/523517217.db2.gz ICBCIQGGMKHGSX-XNISGKROSA-N 1 0 279.428 2.299 10 30 CEEERO CC[C@H](C)[NH+]1CCN(Cc2ccc(C#CCO)s2)CC1 ZINC000055069338 523956842 /nfs/dbraw/zinc/95/68/42/523956842.db2.gz ZWEKAMBLYVDXDH-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2)[C@@H]1C ZINC000050568504 524208878 /nfs/dbraw/zinc/20/88/78/524208878.db2.gz IESRZRZBRVTRRB-ZIAGYGMSSA-N 1 0 270.376 2.257 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2cccc(C#CC[NH3+])c2)[C@H]1C ZINC000050568521 524210297 /nfs/dbraw/zinc/21/02/97/524210297.db2.gz DCILYFILJAMUOC-KGLIPLIRSA-N 1 0 270.376 2.257 10 30 CEEERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C#CCO)cc1F ZINC000049618511 524320997 /nfs/dbraw/zinc/32/09/97/524320997.db2.gz STWIPYQQCPOOEI-LBPRGKRZSA-N 1 0 261.340 2.400 10 30 CEEERO C[C@@H](C[C@@](C)(C#N)NC1CC1)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613161 524848795 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C[C@H](C1CC1)[N@H+](C)Cc1ccc(F)c(C#CCO)c1 ZINC000049618524 526205374 /nfs/dbraw/zinc/20/53/74/526205374.db2.gz GMONYBJCOKPQMY-GFCCVEGCSA-N 1 0 261.340 2.400 10 30 CEEERO Cc1nn(Cc2ccc(C#CC[NH3+])cc2F)c(C)c1C ZINC000049610245 526288239 /nfs/dbraw/zinc/28/82/39/526288239.db2.gz SZRWOHWBIJOPPM-UHFFFAOYSA-N 1 0 271.339 2.306 10 30 CEEERO Cc1nn(Cc2cccc(C#N)c2)c(C)c1C[C@H](C)[NH3+] ZINC000062803256 526292252 /nfs/dbraw/zinc/29/22/52/526292252.db2.gz UBALFUBFEFXWSM-NSHDSACASA-N 1 0 268.364 2.310 10 30 CEEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000054825990 526499365 /nfs/dbraw/zinc/49/93/65/526499365.db2.gz MTSQVFBSLWKMKY-GNRIBBGQSA-N 1 0 263.385 2.093 10 30 CEEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000054825991 526512058 /nfs/dbraw/zinc/51/20/58/526512058.db2.gz MTSQVFBSLWKMKY-HHTDUIENSA-N 1 0 263.385 2.093 10 30 CEEERO N#Cc1ccc(OCc2ccccc2C#CC[NH3+])cc1 ZINC000049610531 526677448 /nfs/dbraw/zinc/67/74/48/526677448.db2.gz PBQOHEVAYBRKLY-UHFFFAOYSA-N 1 0 262.312 2.447 10 30 CEEERO [NH3+]CC#Cc1ccc(COCC(F)(F)F)c(F)c1 ZINC000049610355 527150318 /nfs/dbraw/zinc/15/03/18/527150318.db2.gz LFSVUANKQBVDKM-UHFFFAOYSA-N 1 0 261.218 2.215 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)c2cccc(F)c2)c1 ZINC000049586520 527151389 /nfs/dbraw/zinc/15/13/89/527151389.db2.gz ZDCHTGGRJXNYSK-UHFFFAOYSA-N 1 0 282.318 2.066 10 30 CEEERO [NH3+]CC#Cc1cccc(OCCOC2CCCC2)c1 ZINC000049610336 527153081 /nfs/dbraw/zinc/15/30/81/527153081.db2.gz ZZGPGLLOZMPBJM-UHFFFAOYSA-N 1 0 259.349 2.335 10 30 CEEERO [NH3+]CC#Cc1ccccc1COc1ccccc1[N+](=O)[O-] ZINC000049611126 527155459 /nfs/dbraw/zinc/15/54/59/527155459.db2.gz SPFKVQHWLBOLJX-UHFFFAOYSA-N 1 0 282.299 2.484 10 30 CEEERO Cn1ccnc1SCc1ccc(C#CC[NH3+])cc1 ZINC000049611269 527448897 /nfs/dbraw/zinc/44/88/97/527448897.db2.gz SFONFEPSJJKCGX-UHFFFAOYSA-N 1 0 257.362 2.023 10 30 CEEERO C#C[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C[NH3+])nc1 ZINC000757133097 574826599 /nfs/dbraw/zinc/82/65/99/574826599.db2.gz GWBFQKVQHMSCBK-NSHDSACASA-N 1 0 275.352 2.304 10 30 CEEERO Cc1nc(N2CCCC[C@H]2C[NH3+])c(Cl)cc1C#N ZINC000261554069 623375636 /nfs/dbraw/zinc/37/56/36/623375636.db2.gz APWNNJPPJOENJL-NSHDSACASA-N 1 0 264.760 2.233 10 30 CEEERO Cc1nc(C#N)cc(N[C@H](CC(C)C)C[NH+](C)C)n1 ZINC000308338128 623666828 /nfs/dbraw/zinc/66/68/28/623666828.db2.gz PEASDQZRVJHRRI-CYBMUJFWSA-N 1 0 261.373 2.045 10 30 CEEERO C[C@@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@@H]1C[NH3+] ZINC000235374640 624716915 /nfs/dbraw/zinc/71/69/15/624716915.db2.gz ALGOKIGYVRIKDP-SFYZADRCSA-N 1 0 270.789 2.089 10 30 CEEERO COc1ccc([C@H](C)[NH2+]CCO[C@H](C)C#N)cc1OC ZINC000312425542 628262835 /nfs/dbraw/zinc/26/28/35/628262835.db2.gz ZJMWTCYGNTXJKA-NEPJUHHUSA-N 1 0 278.352 2.283 10 30 CEEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261561592 628938397 /nfs/dbraw/zinc/93/83/97/628938397.db2.gz FZORRTPEDFAJMZ-XDTLVQLUSA-N 1 0 261.756 2.385 10 30 CEEERO COC[C@]1(CNc2ccc(Cl)cc2C#N)CCC[NH2+]1 ZINC000261591523 628942702 /nfs/dbraw/zinc/94/27/02/628942702.db2.gz LZFOWLMWJYFANB-CQSZACIVSA-N 1 0 279.771 2.392 10 30 CEEERO C=CCc1cc(OC)cc(CN2CC[C@H]([NH+](C)C)C2)c1O ZINC000164282183 639363804 /nfs/dbraw/zinc/36/38/04/639363804.db2.gz LMKRKLHKMLVRNQ-HNNXBMFYSA-N 1 0 290.407 2.265 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000228551459 639641958 /nfs/dbraw/zinc/64/19/58/639641958.db2.gz ILBZEQUXYCJNCX-ZLKJLUDKSA-N 1 0 286.335 2.030 10 30 CEEERO C#CCOc1ccccc1CN[C@H]1CCC[C@H]1C#N ZINC000061891681 639728212 /nfs/dbraw/zinc/72/82/12/639728212.db2.gz MHVBVUZOTTVRDM-ZFWWWQNUSA-N 1 0 254.333 2.480 10 30 CEEERO CCO[C@@H]1C[C@H](NC(N[C@@H]2C[C@@H]2C)=[NH+]C)C12CCCC2 ZINC000154107247 640797633 /nfs/dbraw/zinc/79/76/33/640797633.db2.gz IXPVVKZEGBJYQC-RFQIPJPRSA-N 1 0 279.428 2.298 10 30 CEEERO C[N+]1(C)CCC(O)(C#CCOc2ccc(Cl)cc2)CC1 ZINC000019893012 717113055 /nfs/dbraw/zinc/11/30/55/717113055.db2.gz OYJKCICZCLARLS-UHFFFAOYSA-N 1 0 294.802 2.324 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(C#N)cc1OC ZINC000121117723 365525137 /nfs/dbraw/zinc/52/51/37/365525137.db2.gz YRUAMDRTBKFQFT-MRXNPFEDSA-N 1 0 287.407 2.483 10 30 CEEERO C=C(Br)CN(CCC)[C@@H]1CCC[NH2+]C1 ZINC000082501101 178065756 /nfs/dbraw/zinc/06/57/56/178065756.db2.gz JWCQGRJTMPTCBK-LLVKDONJSA-N 1 0 261.207 2.359 10 30 CEEERO CCc1nnc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c(C#N)c1CC ZINC000125482533 187187137 /nfs/dbraw/zinc/18/71/37/187187137.db2.gz KAWVPXZAUQFCCO-NWDGAFQWSA-N 1 0 287.411 2.273 10 30 CEEERO Cc1nnc(NC[C@H]([NH3+])c2ccccc2)c(C#N)c1C ZINC000125485245 187187287 /nfs/dbraw/zinc/18/72/87/187187287.db2.gz ICUQIMWXXAKOEW-AWEZNQCLSA-N 1 0 267.336 2.077 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1c(C#N)cnc2ccccc21 ZINC000216211190 539183310 /nfs/dbraw/zinc/18/33/10/539183310.db2.gz VYWLAQAHAMUJBS-RYUDHWBXSA-N 1 0 266.348 2.280 10 30 CEEERO N#Cc1cc2c(nc1N1CCC(C[NH3+])CC1)CCCC2 ZINC000044514920 362154151 /nfs/dbraw/zinc/15/41/51/362154151.db2.gz PKFOBWLEGKLULO-UHFFFAOYSA-N 1 0 270.380 2.007 10 30 CEEERO CC[C@H]1CN(c2ccc(C#N)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000123029346 344308536 /nfs/dbraw/zinc/30/85/36/344308536.db2.gz UHBDKPLJYPULCE-RYUDHWBXSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)CCO1 ZINC000156557314 344442431 /nfs/dbraw/zinc/44/24/31/344442431.db2.gz QZEIOLBCBVFPTF-ZANVPECISA-N 1 0 299.296 2.129 10 30 CEEERO CC[C@@H]1CN(c2nc3c(cc2C#N)CCC3)CC[C@H]1[NH3+] ZINC000251934853 344637822 /nfs/dbraw/zinc/63/78/22/344637822.db2.gz ZQLNTAIIXVNAPJ-BXUZGUMPSA-N 1 0 270.380 2.006 10 30 CEEERO CC[C@@H]1CN(c2c(C#N)nnc3ccccc32)CC[C@H]1[NH3+] ZINC000251937794 344637884 /nfs/dbraw/zinc/63/78/84/344637884.db2.gz ZXEJYONKJSYAAY-DGCLKSJQSA-N 1 0 281.363 2.065 10 30 CEEERO C[C@H](C[C@H](C)[NH3+])Nc1ncc(Br)cc1C#N ZINC000320949432 344752733 /nfs/dbraw/zinc/75/27/33/344752733.db2.gz UNCROSXYYMHJER-JGVFFNPUSA-N 1 0 283.173 2.253 10 30 CEEERO CC(=O)O[C@@]1(C#Cc2ccccc2)CC[N@@H+](C)C[C@@H]1C ZINC000584636803 344971408 /nfs/dbraw/zinc/97/14/08/344971408.db2.gz DYGLEMPSQGOBFF-YOEHRIQHSA-N 1 0 271.360 2.312 10 30 CEEERO C=CCC(CC=C)C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000127329475 187297221 /nfs/dbraw/zinc/29/72/21/187297221.db2.gz SIOZXLNWHYBYDJ-HNNXBMFYSA-N 1 0 262.397 2.452 10 30 CEEERO CC1([NH3+])CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000591435685 345253709 /nfs/dbraw/zinc/25/37/09/345253709.db2.gz SZCHVNVSFXAVFR-UHFFFAOYSA-N 1 0 270.380 2.150 10 30 CEEERO N#Cc1cnc2ccccc2c1NCC1([NH3+])CCCC1 ZINC000594695130 345673744 /nfs/dbraw/zinc/67/37/44/345673744.db2.gz ZUGRRJKNRBTDLU-UHFFFAOYSA-N 1 0 266.348 2.212 10 30 CEEERO CCC[NH+]1CCN(c2cc(C)nc(C)c2C#N)CC1 ZINC000211666168 539519211 /nfs/dbraw/zinc/51/92/11/539519211.db2.gz YDGNRDUXJUIHAK-UHFFFAOYSA-N 1 0 258.369 2.102 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368120 179038001 /nfs/dbraw/zinc/03/80/01/179038001.db2.gz JQDIHGHMQWQAFH-HUUCEWRRSA-N 1 0 271.364 2.034 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085368368 179038018 /nfs/dbraw/zinc/03/80/18/179038018.db2.gz KCRAGIQPHCYLMO-UKRRQHHQSA-N 1 0 289.354 2.173 10 30 CEEERO Cc1nc(N[C@@H]2CC[NH2+][C@H]2C)c(Cl)cc1C#N ZINC000600959103 346718570 /nfs/dbraw/zinc/71/85/70/346718570.db2.gz VNBUPPWJDRCJNQ-GZMMTYOYSA-N 1 0 250.733 2.077 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CC[NH3+])c(F)c2)[C@@H]1C ZINC000086081130 179227417 /nfs/dbraw/zinc/22/74/17/179227417.db2.gz CZMXGLUSRUEFRX-HSMVNMDESA-N 1 0 288.366 2.300 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+][C@H]2CN3CCC2CC3)C1 ZINC000086036117 179221707 /nfs/dbraw/zinc/22/17/07/179221707.db2.gz MJWSOPIETAAMNB-ADKAHSJRSA-N 1 0 281.403 2.294 10 30 CEEERO N#Cc1ccc(N[C@H](CCC[NH3+])c2ccccc2)nc1 ZINC000336837247 365909014 /nfs/dbraw/zinc/90/90/14/365909014.db2.gz LSPSPRDDPNZCLA-OAHLLOKOSA-N 1 0 266.348 2.267 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@@H](CC)C[NH3+])cc1 ZINC000087524181 179440685 /nfs/dbraw/zinc/44/06/85/179440685.db2.gz YMSXKRFIFHZLDJ-AWEZNQCLSA-N 1 0 276.380 2.195 10 30 CEEERO N#Cc1cc([N+](=O)[O-])cnc1Oc1ccc(CC[NH3+])cc1 ZINC000087882007 179509318 /nfs/dbraw/zinc/50/93/18/179509318.db2.gz NWTWCRMJDYEPLY-UHFFFAOYSA-N 1 0 284.275 2.155 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089386558 179777731 /nfs/dbraw/zinc/77/77/31/179777731.db2.gz PCLUBHSLLNXUNR-GXTWGEPZSA-N 1 0 257.337 2.262 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[C@H]1C[NH3+] ZINC000089393694 179779510 /nfs/dbraw/zinc/77/95/10/179779510.db2.gz NSWOPNLZGWEVBY-HOTGVXAUSA-N 1 0 285.391 2.304 10 30 CEEERO CC(C)(C#N)c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000089741812 179857377 /nfs/dbraw/zinc/85/73/77/179857377.db2.gz APJCNPQKTSGJBO-GFCCVEGCSA-N 1 0 271.364 2.426 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089744778 179858527 /nfs/dbraw/zinc/85/85/27/179858527.db2.gz PKYMNHYLIHIPEF-ZDUSSCGKSA-N 1 0 289.354 2.045 10 30 CEEERO C=CC(C)(C)CC[NH2+]Cc1c(C)nn(C)c1OC ZINC000623592577 350059950 /nfs/dbraw/zinc/05/99/50/350059950.db2.gz SQGRFABHGCJLIV-UHFFFAOYSA-N 1 0 251.374 2.429 10 30 CEEERO Cc1sc(NC(=O)C[C@H]2CSCC[NH2+]2)c(C#N)c1C ZINC000091138403 180105803 /nfs/dbraw/zinc/10/58/03/180105803.db2.gz XGJGZUXEMQAXEA-JTQLQIEISA-N 1 0 295.433 2.270 10 30 CEEERO CC1(C)C(C(=O)Nc2cccc(C#CC[NH3+])n2)C1(C)C ZINC000091492999 180170444 /nfs/dbraw/zinc/17/04/44/180170444.db2.gz MCKCNRLKOQZHII-UHFFFAOYSA-N 1 0 271.364 2.013 10 30 CEEERO N#Cc1ccc(-c2csc([C@H]3C[NH2+]CCO3)n2)cc1 ZINC000091502129 180175288 /nfs/dbraw/zinc/17/52/88/180175288.db2.gz QVYJMLJGZIHHII-CYBMUJFWSA-N 1 0 271.345 2.343 10 30 CEEERO CCc1ccc(C(=O)Nc2cccc(C#CC[NH3+])c2)o1 ZINC000091775622 180251535 /nfs/dbraw/zinc/25/15/35/180251535.db2.gz BZRAMMZLUCEABV-UHFFFAOYSA-N 1 0 268.316 2.405 10 30 CEEERO CC[NH+]1CCC(O)(C2(C#N)Cc3ccccc3C2)CC1 ZINC000091878288 180278659 /nfs/dbraw/zinc/27/86/59/180278659.db2.gz BCYXOZMWVLNYJJ-UHFFFAOYSA-N 1 0 270.376 2.142 10 30 CEEERO [NH3+]CC#Cc1cccc(NC(=O)N2CCCCC2)c1 ZINC000091969673 180295166 /nfs/dbraw/zinc/29/51/66/180295166.db2.gz MQFBXRFVMAMXRR-UHFFFAOYSA-N 1 0 257.337 2.015 10 30 CEEERO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1C#CCO ZINC000092087097 180321448 /nfs/dbraw/zinc/32/14/48/180321448.db2.gz CEDQRZAZNKQENP-OKILXGFUSA-N 1 0 273.376 2.127 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1 ZINC000092204175 180343709 /nfs/dbraw/zinc/34/37/09/180343709.db2.gz KTTUSNQXIDAGQQ-QWHCGFSZSA-N 1 0 285.347 2.211 10 30 CEEERO C[C@@H](C#N)N1CC[NH+](C[C@H]2CSc3ccccc32)CC1 ZINC000092275903 180356197 /nfs/dbraw/zinc/35/61/97/180356197.db2.gz AOMWYUGPFRWTRQ-KBPBESRZSA-N 1 0 287.432 2.406 10 30 CEEERO Cc1cc(C#N)cc(C)c1OCc1cccc(NN)[nH+]1 ZINC000092371902 180370794 /nfs/dbraw/zinc/37/07/94/180370794.db2.gz TXJUSHALNNITDT-UHFFFAOYSA-N 1 0 268.320 2.435 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1CCSc2ccccc21 ZINC000092473696 180392767 /nfs/dbraw/zinc/39/27/67/180392767.db2.gz MVCABGAEOQXJLX-GFCCVEGCSA-N 1 0 262.378 2.115 10 30 CEEERO C=CC[NH2+]CC(=O)N(Cc1cccs1)C(C)C ZINC000092475564 180393761 /nfs/dbraw/zinc/39/37/61/180393761.db2.gz CRNHOIURDKIANX-UHFFFAOYSA-N 1 0 252.383 2.261 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000092473895 180394028 /nfs/dbraw/zinc/39/40/28/180394028.db2.gz MEUHYEBNCUJQFL-UHFFFAOYSA-N 1 0 283.253 2.291 10 30 CEEERO C#CC[NH2+]CC(=O)N(CCCCC)CCCCC ZINC000092492862 180396637 /nfs/dbraw/zinc/39/66/37/180396637.db2.gz JQRZZFITYDMFLM-UHFFFAOYSA-N 1 0 252.402 2.418 10 30 CEEERO C[C@H]1CCCN(C(=O)c2cc(C#CC[NH3+])ccc2F)CC1 ZINC000110817773 186327802 /nfs/dbraw/zinc/32/78/02/186327802.db2.gz VHTXXIDFICBONZ-ZDUSSCGKSA-N 1 0 288.366 2.398 10 30 CEEERO CCCN(c1nc(C)ccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000110948512 186335343 /nfs/dbraw/zinc/33/53/43/186335343.db2.gz MONVLDRXHOYDQP-AWEZNQCLSA-N 1 0 258.369 2.230 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@@H+]1CCN(C)C(C)(C)C1 ZINC000110737493 186319335 /nfs/dbraw/zinc/31/93/35/186319335.db2.gz HENNLPIZCYJLMQ-INIZCTEOSA-N 1 0 280.460 2.073 10 30 CEEERO CCCOCCOCc1ccc(F)cc1C#CC[NH3+] ZINC000111109697 186354053 /nfs/dbraw/zinc/35/40/53/186354053.db2.gz SAEFXXOEVFVJPB-UHFFFAOYSA-N 1 0 265.328 2.079 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](CC)CCOCC ZINC000111121550 186354587 /nfs/dbraw/zinc/35/45/87/186354587.db2.gz UIUZETBNPMZJRQ-OAHLLOKOSA-N 1 0 269.433 2.407 10 30 CEEERO Cc1nn(C)c(NC[C@H](C)C[NH+]2CCCCC2)c1C#N ZINC000111350022 186403347 /nfs/dbraw/zinc/40/33/47/186403347.db2.gz ICWBPLVQOSIYMF-LBPRGKRZSA-N 1 0 275.400 2.134 10 30 CEEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000111264714 186382044 /nfs/dbraw/zinc/38/20/44/186382044.db2.gz VPSBOIVJXADELR-RISCZKNCSA-N 1 0 271.364 2.282 10 30 CEEERO Cc1sc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)c(C#N)c1C ZINC000111271637 186383763 /nfs/dbraw/zinc/38/37/63/186383763.db2.gz BNSIAKHFGGLPNQ-RDDDGLTNSA-N 1 0 263.366 2.031 10 30 CEEERO CC(C)[C@@H]([NH3+])CNc1nc2c(cc1C#N)CCCC2 ZINC000070463601 363089448 /nfs/dbraw/zinc/08/94/48/363089448.db2.gz BYOCNIFMPMRJKZ-ZDUSSCGKSA-N 1 0 258.369 2.227 10 30 CEEERO Cc1nc(C)n(C[C@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000121945685 187006536 /nfs/dbraw/zinc/00/65/36/187006536.db2.gz XUPAOLLNAPYWRU-AWEZNQCLSA-N 1 0 299.378 2.272 10 30 CEEERO N#Cc1cc(Br)ccc1N[C@@H]1CC[NH2+]C1 ZINC000132690058 366164136 /nfs/dbraw/zinc/16/41/36/366164136.db2.gz IPGVGJOIQZBVEZ-SNVBAGLBSA-N 1 0 266.142 2.095 10 30 CEEERO N#Cc1c(CN2CC[N@@H+]3CCC[C@H]3C2)cn2ccccc12 ZINC000246309274 283072684 /nfs/dbraw/zinc/07/26/84/283072684.db2.gz AFQMWRSUMJSUDK-HNNXBMFYSA-N 1 0 280.375 2.091 10 30 CEEERO N#Cc1cc(F)c(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000252856273 283097265 /nfs/dbraw/zinc/09/72/65/283097265.db2.gz KQBFDFLTYAXMCU-MJVIPROJSA-N 1 0 277.318 2.400 10 30 CEEERO C[C@H]1CCN(c2c(F)cc(C#N)cc2F)[C@@H](C[NH3+])C1 ZINC000235658123 290589732 /nfs/dbraw/zinc/58/97/32/290589732.db2.gz ZHSUIOCBNALSEK-GXSJLCMTSA-N 1 0 265.307 2.400 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccc(Br)cc1 ZINC000095081770 364334919 /nfs/dbraw/zinc/33/49/19/364334919.db2.gz XXEHYTNLSRCDPV-SNVBAGLBSA-N 1 0 297.196 2.402 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cn2ccccc2c1C#N ZINC000113271664 364882362 /nfs/dbraw/zinc/88/23/62/364882362.db2.gz MYFVPKYKAAOQBS-GOEBONIOSA-N 1 0 294.402 2.479 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)cn1 ZINC000116314574 365049107 /nfs/dbraw/zinc/04/91/07/365049107.db2.gz JJAJVTVDBFJFIW-ZDUSSCGKSA-N 1 0 284.338 2.420 10 30 CEEERO CCCCCCCC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000116787875 365067989 /nfs/dbraw/zinc/06/79/89/365067989.db2.gz OPEOSHSEUIIHNS-AWEZNQCLSA-N 1 0 270.417 2.136 10 30 CEEERO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000638873531 370811690 /nfs/dbraw/zinc/81/16/90/370811690.db2.gz BKGDTHGPGPCNHI-OLZOCXBDSA-N 1 0 252.402 2.470 10 30 CEEERO N#Cc1cc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)ccc1F ZINC000120506853 365434708 /nfs/dbraw/zinc/43/47/08/365434708.db2.gz JHQNRHWSBZKCOT-AWEZNQCLSA-N 1 0 299.353 2.201 10 30 CEEERO CCC[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000161481911 367091138 /nfs/dbraw/zinc/09/11/38/367091138.db2.gz CSKMEXQRXDSPPZ-HNNXBMFYSA-N 1 0 273.380 2.247 10 30 CEEERO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1C[C@@H]1C)C(C)C ZINC000246151228 370917346 /nfs/dbraw/zinc/91/73/46/370917346.db2.gz SYPHLZYVAJQXRV-RRFJBIMHSA-N 1 0 279.428 2.393 10 30 CEEERO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCCC#N ZINC000195234438 370116992 /nfs/dbraw/zinc/11/69/92/370116992.db2.gz YUVAEGVFWHEQHF-IHRRRGAJSA-N 1 0 264.369 2.486 10 30 CEEERO N#Cc1ccnc(NCC[C@H]2CCC[NH2+]2)c1Cl ZINC000236057398 189832313 /nfs/dbraw/zinc/83/23/13/189832313.db2.gz MIEMQRRNPZUFRZ-SNVBAGLBSA-N 1 0 250.733 2.161 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H]1[NH+](C)C ZINC000251576872 371407197 /nfs/dbraw/zinc/40/71/97/371407197.db2.gz CFLIIVZKYOUAKY-MLGOLLRUSA-N 1 0 280.375 2.493 10 30 CEEERO N#Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000252922070 371490225 /nfs/dbraw/zinc/49/02/25/371490225.db2.gz IADYVHZZTLPKEI-AWEZNQCLSA-N 1 0 275.783 2.492 10 30 CEEERO CCc1nnc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C#N)c1CC ZINC000262386975 371857671 /nfs/dbraw/zinc/85/76/71/371857671.db2.gz ZJDGIIMPXIXLBN-GLQYFDAESA-N 1 0 299.422 2.037 10 30 CEEERO N#Cc1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000382472869 375187895 /nfs/dbraw/zinc/18/78/95/375187895.db2.gz QYXJHJSIKLHUIU-KOLCDFICSA-N 1 0 260.297 2.006 10 30 CEEERO CC[NH2+][C@H](C)CNc1nc(C(F)(F)F)ccc1C#N ZINC000387401478 375275758 /nfs/dbraw/zinc/27/57/58/375275758.db2.gz ASHSOXQTOMPQSZ-MRVPVSSYSA-N 1 0 272.274 2.382 10 30 CEEERO CC1(C)C([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)C1(C)C ZINC000092816837 184628800 /nfs/dbraw/zinc/62/88/00/184628800.db2.gz XBPWHSYVMQUSKP-CYBMUJFWSA-N 1 0 288.391 2.322 10 30 CEEERO C=CCNC(=O)c1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000093215029 184656426 /nfs/dbraw/zinc/65/64/26/184656426.db2.gz CEOHFYWCJRUZRK-UKRRQHHQSA-N 1 0 273.380 2.284 10 30 CEEERO C[C@@H]1CCCCCN1C(=O)c1csc(C#CC[NH3+])c1 ZINC000093976548 184747529 /nfs/dbraw/zinc/74/75/29/184747529.db2.gz BNOSQCXCJJWDHC-GFCCVEGCSA-N 1 0 276.405 2.463 10 30 CEEERO C[C@H]1C[NH+](Cc2cc(F)cc(C#CCO)c2)C[C@H](C)S1 ZINC000093981845 184747728 /nfs/dbraw/zinc/74/77/28/184747728.db2.gz GIZDSWKZVLZSHX-STQMWFEESA-N 1 0 293.407 2.495 10 30 CEEERO [NH3+]CC#Cc1cc(F)cc(COC[C@@H]2CCCCO2)c1 ZINC000093993998 184749304 /nfs/dbraw/zinc/74/93/04/184749304.db2.gz YRWZGPYAXCMGGU-INIZCTEOSA-N 1 0 277.339 2.222 10 30 CEEERO CC[NH+]1CCN(c2ccc(-n3cccc3)cc2C#N)CC1 ZINC000226280042 134422956 /nfs/dbraw/zinc/42/29/56/134422956.db2.gz STKCSVIFKNWLKW-UHFFFAOYSA-N 1 0 280.375 2.491 10 30 CEEERO N#Cc1cc2ccccc2nc1N1CCCC[C@@H]1C[NH3+] ZINC000071386059 134486012 /nfs/dbraw/zinc/48/60/12/134486012.db2.gz SVYHEMVRXTWFCC-CQSZACIVSA-N 1 0 266.348 2.424 10 30 CEEERO CC1(C)C[NH2+]CCN1c1c(C#N)cnc2ccccc21 ZINC000088147076 135052945 /nfs/dbraw/zinc/05/29/45/135052945.db2.gz RXFNXBDFJSPKIU-UHFFFAOYSA-N 1 0 266.348 2.295 10 30 CEEERO N#Cc1cccnc1N1CC[NH2+]CC12CCCCC2 ZINC000088396638 135054134 /nfs/dbraw/zinc/05/41/34/135054134.db2.gz ANTIPWHBSAONPZ-UHFFFAOYSA-N 1 0 256.353 2.066 10 30 CEEERO C[C@H](C(=O)N[C@H]1CCC[C@H]1C#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359672043 394770770 /nfs/dbraw/zinc/77/07/70/394770770.db2.gz JBETWZJMIISCRB-BJJPWKGXSA-N 1 0 263.385 2.056 10 30 CEEERO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@@H]1C[NH3+] ZINC000127856399 394853011 /nfs/dbraw/zinc/85/30/11/394853011.db2.gz LFUBINVYFAVYBV-QMTHXVAHSA-N 1 0 274.324 2.030 10 30 CEEERO Cn1cc([C@H]2CCC[N@@H+]2CCCSCC#N)cn1 ZINC000173882195 395117130 /nfs/dbraw/zinc/11/71/30/395117130.db2.gz JXSSXLDAKWZDNX-CYBMUJFWSA-N 1 0 264.398 2.204 10 30 CEEERO N#Cc1ccccc1/C=C/C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195073791 153276879 /nfs/dbraw/zinc/27/68/79/153276879.db2.gz RSXPWSJGGZETHQ-IJDCCNJMSA-N 1 0 295.386 2.268 10 30 CEEERO N#Cc1c(C[N@H+]2CC[C@@H](CCO)C2)cn2ccccc12 ZINC000227573468 153348367 /nfs/dbraw/zinc/34/83/67/153348367.db2.gz RVDHDCHEPBSQEV-ZDUSSCGKSA-N 1 0 269.348 2.015 10 30 CEEERO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000131807262 162298544 /nfs/dbraw/zinc/29/85/44/162298544.db2.gz HUIGJIZZUPHHBV-LBPRGKRZSA-N 1 0 262.313 2.396 10 30 CEEERO CC[C@@H]([NH3+])CNc1cccc(Br)c1C#N ZINC000165080828 162341690 /nfs/dbraw/zinc/34/16/90/162341690.db2.gz SBTXZFHUAMPIQA-MRVPVSSYSA-N 1 0 268.158 2.470 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1sccc1C#N ZINC000174990330 165121860 /nfs/dbraw/zinc/12/18/60/165121860.db2.gz PRZHQEWWFNCXBF-CHWSQXEVSA-N 1 0 289.404 2.319 10 30 CEEERO N#Cc1ccc(NC(=O)CCC[NH+]2CCCC2)cc1 ZINC000019846662 170895251 /nfs/dbraw/zinc/89/52/51/170895251.db2.gz MKIWAFFBKYTFBH-UHFFFAOYSA-N 1 0 257.337 2.373 10 30 CEEERO Clc1cccc(C#CCN2CC[NH2+]CC2)c1Cl ZINC000037547749 173264434 /nfs/dbraw/zinc/26/44/34/173264434.db2.gz XPXVWFNJBQTFAE-UHFFFAOYSA-N 1 0 269.175 2.250 10 30 CEEERO CC(C)CN(CCC#N)C(=O)c1ccc(C[NH3+])cc1 ZINC000037822596 173776159 /nfs/dbraw/zinc/77/61/59/173776159.db2.gz JJKHEOMDLIHVPH-UHFFFAOYSA-N 1 0 259.353 2.157 10 30 CEEERO N#C[C@@]1(N2CCC[NH2+]CC2)CCCc2ccccc21 ZINC000037940572 173880569 /nfs/dbraw/zinc/88/05/69/173880569.db2.gz UYQKNXUBSMEMSL-INIZCTEOSA-N 1 0 255.365 2.037 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)COc1ccc(C)cc1 ZINC000040499952 174296702 /nfs/dbraw/zinc/29/67/02/174296702.db2.gz VSXRZLYITQARHV-ZIAGYGMSSA-N 1 0 276.380 2.043 10 30 CEEERO CCN1CCC[C@@H]([NH2+]Cc2cccc(OCC#N)c2)C1 ZINC000040502750 174298655 /nfs/dbraw/zinc/29/86/55/174298655.db2.gz KXOSWWHHPXYGTN-OAHLLOKOSA-N 1 0 273.380 2.163 10 30 CEEERO C[NH2+]C[C@@H]1CCCN(Cc2cc(C#N)ccc2F)C1 ZINC000040601095 174351254 /nfs/dbraw/zinc/35/12/54/174351254.db2.gz YOLSGZOIBOHPLQ-ZDUSSCGKSA-N 1 0 261.344 2.129 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@@H]1C[C@@H](OC)C[NH2+]1 ZINC000040634087 174359881 /nfs/dbraw/zinc/35/98/81/174359881.db2.gz UOELZBQJPDHMAX-YPMHNXCESA-N 1 0 292.404 2.280 10 30 CEEERO CN(c1ccc(C#N)cc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747234 174392532 /nfs/dbraw/zinc/39/25/32/174392532.db2.gz ZZBRLSMZCHTOKR-FUNVUKJBSA-N 1 0 259.328 2.417 10 30 CEEERO CCN(C(=O)C#Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747763 174392952 /nfs/dbraw/zinc/39/29/52/174392952.db2.gz BHGHSEFEAKPPLT-SJPCQFCGSA-N 1 0 282.387 2.170 10 30 CEEERO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H](C#N)Cc1ccccc1 ZINC000044825395 175259397 /nfs/dbraw/zinc/25/93/97/175259397.db2.gz KHOFDEDDUSOLFA-JKSUJKDBSA-N 1 0 287.407 2.071 10 30 CEEERO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C#N)Cc1ccccc1 ZINC000044825396 175259495 /nfs/dbraw/zinc/25/94/95/175259495.db2.gz KHOFDEDDUSOLFA-HOTGVXAUSA-N 1 0 287.407 2.071 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](CC)[C@@H](C)COC ZINC000045314219 175356999 /nfs/dbraw/zinc/35/69/99/175356999.db2.gz JATIJMCLUHNAGL-GJZGRUSLSA-N 1 0 269.433 2.405 10 30 CEEERO CN[C@](C)(C#N)CCCC[N@H+](C)CCc1ccncc1 ZINC000045312709 175357157 /nfs/dbraw/zinc/35/71/57/175357157.db2.gz NPIYTTPSVQWKRX-INIZCTEOSA-N 1 0 274.412 2.228 10 30 CEEERO COCC[N@H+](CCC[C@](C)(C#N)NC(C)C)C1CC1 ZINC000045316743 175358466 /nfs/dbraw/zinc/35/84/66/175358466.db2.gz NHBSSPUABURRHL-OAHLLOKOSA-N 1 0 267.417 2.158 10 30 CEEERO CCC[NH2+][C@@H](C)c1ccc(-n2cnc(C#N)n2)c(F)c1 ZINC000061842264 175656279 /nfs/dbraw/zinc/65/62/79/175656279.db2.gz XVYBBCNINFZSNB-JTQLQIEISA-N 1 0 273.315 2.339 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576922 175991954 /nfs/dbraw/zinc/99/19/54/175991954.db2.gz IZMKKBIIZOWOCC-CABCVRRESA-N 1 0 271.364 2.056 10 30 CEEERO CC(C)[C@H]1CCC[N@H+](CC(=O)N(C)CCC#N)CC1 ZINC000071029254 176022137 /nfs/dbraw/zinc/02/21/37/176022137.db2.gz KOCYDERHEIVINJ-AWEZNQCLSA-N 1 0 265.401 2.117 10 30 CEEERO CCC[NH2+][C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O ZINC000071039556 176027045 /nfs/dbraw/zinc/02/70/45/176027045.db2.gz JWXHYFKESGVSHZ-CYBMUJFWSA-N 1 0 277.755 2.317 10 30 CEEERO CC(C)[NH2+][C@H]1CCCN(c2ccc(F)c(C#N)c2)C1=O ZINC000071041650 176027953 /nfs/dbraw/zinc/02/79/53/176027953.db2.gz XLXUFAVPFDUFJD-AWEZNQCLSA-N 1 0 275.327 2.191 10 30 CEEERO C[C@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000071210974 176083443 /nfs/dbraw/zinc/08/34/43/176083443.db2.gz ZTAZOYZCXFGUEP-NHYWBVRUSA-N 1 0 274.339 2.054 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1cccc(F)c1)N(CCC#N)CCOC ZINC000071222598 176088081 /nfs/dbraw/zinc/08/80/81/176088081.db2.gz PLIABYCTWBLSBJ-HOTGVXAUSA-N 1 0 293.386 2.466 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(F)cc1C#N ZINC000071264401 176098278 /nfs/dbraw/zinc/09/82/78/176098278.db2.gz VSRXMQVFXFXVOE-IAQYHMDHSA-N 1 0 261.344 2.399 10 30 CEEERO C[C@@H](Cc1cccs1)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000071273673 176105714 /nfs/dbraw/zinc/10/57/14/176105714.db2.gz LMXFRARNTWYPPM-ZDUSSCGKSA-N 1 0 298.411 2.419 10 30 CEEERO C[C@@H](Cc1cccs1)NC(=O)c1cccc(C#CC[NH3+])c1 ZINC000071273680 176105757 /nfs/dbraw/zinc/10/57/57/176105757.db2.gz DCXYYXKSTXXKRK-ZDUSSCGKSA-N 1 0 298.411 2.419 10 30 CEEERO CCCN(c1nc2c(cc1C#N)CCC2)[C@H]1CC[NH2+]C1 ZINC000071332455 176125744 /nfs/dbraw/zinc/12/57/44/176125744.db2.gz XDSOHBRNBIIYOB-AWEZNQCLSA-N 1 0 270.380 2.020 10 30 CEEERO Cc1ccc(OCc2cccnc2C#N)c(C[NH3+])c1 ZINC000071403292 176155009 /nfs/dbraw/zinc/15/50/09/176155009.db2.gz XLYPHMZWMSAAIX-UHFFFAOYSA-N 1 0 253.305 2.299 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2C)[C@H]1C#N ZINC000071678178 176242792 /nfs/dbraw/zinc/24/27/92/176242792.db2.gz GNGBYZJAXCRBQD-CQSZACIVSA-N 1 0 271.364 2.357 10 30 CEEERO CC[NH+](CC)CCNC(=O)Nc1ccccc1C#N ZINC000071794367 176263955 /nfs/dbraw/zinc/26/39/55/176263955.db2.gz KFANKELAWXWOKP-UHFFFAOYSA-N 1 0 260.341 2.022 10 30 CEEERO C=CC[C@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000662630979 415913464 /nfs/dbraw/zinc/91/34/64/415913464.db2.gz OJWXEYGLVFGILC-DZGCQCFKSA-N 1 0 250.386 2.333 10 30 CEEERO C=CCNC(=O)C[C@@H](C[NH3+])c1c(C)cc(C)cc1C ZINC000076671058 177053881 /nfs/dbraw/zinc/05/38/81/177053881.db2.gz ATSGWLYMOQHVQU-AWEZNQCLSA-N 1 0 260.381 2.346 10 30 CEEERO N#CCCN1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000078527264 177350424 /nfs/dbraw/zinc/35/04/24/177350424.db2.gz OQMFCQUZFYGIGR-UHFFFAOYSA-N 1 0 268.364 2.199 10 30 CEEERO C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(C#N)cc1 ZINC000078538886 177351815 /nfs/dbraw/zinc/35/18/15/177351815.db2.gz ZQJKNRHPHZIEAI-IUODEOHRSA-N 1 0 283.375 2.125 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CC#Cc1ccccc1 ZINC000248882906 261213619 /nfs/dbraw/zinc/21/36/19/261213619.db2.gz QBZFTCIKKMMKIC-WBVHZDCISA-N 1 0 254.377 2.207 10 30 CEEERO COCc1ccccc1NC(=[NH2+])NCc1cc(C)no1 ZINC000122124844 263300192 /nfs/dbraw/zinc/30/01/92/263300192.db2.gz HQJXLRRQQFMJGQ-UHFFFAOYSA-N 1 0 274.324 2.056 10 30 CEEERO N#Cc1cc(F)c(N2CC[C@@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000261598674 274919537 /nfs/dbraw/zinc/91/95/37/274919537.db2.gz PEUSMPNRWVWTKQ-CQSZACIVSA-N 1 0 263.291 2.026 10 30 CEEERO C[C@@H]1[NH2+]CCC[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000229608381 274419216 /nfs/dbraw/zinc/41/92/16/274419216.db2.gz WXANXYGQXYNBHB-UFBFGSQYSA-N 1 0 251.280 2.389 10 30 CEEERO Cc1nc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c(Cl)cc1C#N ZINC000311449146 274843065 /nfs/dbraw/zinc/84/30/65/274843065.db2.gz IRHFTQQECZKSPZ-YMTOWFKASA-N 1 0 278.787 2.336 10 30 CEEERO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@@H](C[NH3+])C1 ZINC000235361648 278557856 /nfs/dbraw/zinc/55/78/56/278557856.db2.gz ZLFRKYJOIUDITQ-ZWNOBZJWSA-N 1 0 274.324 2.030 10 30 CEEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000156800834 280283116 /nfs/dbraw/zinc/28/31/16/280283116.db2.gz RVBGOOXTORAPPM-GFCCVEGCSA-N 1 0 276.340 2.276 10 30 CEEERO CN(C)C(=[NH+]Cc1cccc(OC(F)F)c1)N(C)C ZINC000261978648 329993407 /nfs/dbraw/zinc/99/34/07/329993407.db2.gz HCQARUROBINWDB-UHFFFAOYSA-N 1 0 271.311 2.267 10 30 CEEERO Cc1sc(CNC(=[NH2+])NC[C@@H]2CCCO2)nc1C(C)C ZINC000262315919 330005717 /nfs/dbraw/zinc/00/57/17/330005717.db2.gz PGMFVQVACVYOBD-NSHDSACASA-N 1 0 296.440 2.158 10 30 CEEERO CCc1cnc(CNC(N[C@@H]2CCC[C@H]2C#N)=[NH+]C)s1 ZINC000262349839 330007476 /nfs/dbraw/zinc/00/74/76/330007476.db2.gz DZEJGALILVZRTK-CMPLNLGQSA-N 1 0 291.424 2.063 10 30 CEEERO CN(C)C(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262519203 330019327 /nfs/dbraw/zinc/01/93/27/330019327.db2.gz HSNBILLBORNWMF-XCBNKYQSSA-N 1 0 255.724 2.211 10 30 CEEERO Cc1cccc(NC(=[NH2+])NCC(=O)OC(C)(C)C)c1 ZINC000262546961 330020632 /nfs/dbraw/zinc/02/06/32/330020632.db2.gz VTCIVWPWVMHFIP-UHFFFAOYSA-N 1 0 263.341 2.063 10 30 CEEERO C[C@H]1C[NH+]=C(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)N1 ZINC000262670597 330025753 /nfs/dbraw/zinc/02/57/53/330025753.db2.gz QRZWMUHKOJKNJN-FWDPORAESA-N 1 0 265.307 2.148 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000424066114 330219332 /nfs/dbraw/zinc/21/93/32/330219332.db2.gz NAFJCXVCEBKTOM-VWYCJHECSA-N 1 0 291.317 2.245 10 30 CEEERO C=C(C)COCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000163521016 331050120 /nfs/dbraw/zinc/05/01/20/331050120.db2.gz OUTHXAKGGRPCCO-AWEZNQCLSA-N 1 0 274.364 2.277 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](CCOC)[C@@H](CC)C1 ZINC000185601649 333144519 /nfs/dbraw/zinc/14/45/19/333144519.db2.gz QJAZGQCMHAPMPY-GJZGRUSLSA-N 1 0 282.428 2.158 10 30 CEEERO CCC[C@H](C#N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034101 520968437 /nfs/dbraw/zinc/96/84/37/520968437.db2.gz IFEPEFVIPGEEFF-OAHLLOKOSA-N 1 0 277.412 2.261 10 30 CEEERO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cncc(C#N)n1 ZINC000401398354 533747178 /nfs/dbraw/zinc/74/71/78/533747178.db2.gz QRHRBMASJCMVHH-ZDUSSCGKSA-N 1 0 281.363 2.281 10 30 CEEERO C#CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C(C)(C)C ZINC000062732020 518331204 /nfs/dbraw/zinc/33/12/04/518331204.db2.gz KGTNRFBAQHNSCA-UHFFFAOYSA-N 1 0 262.309 2.495 10 30 CEEERO C=C(C)COc1c(C[NH2+]CCOC)cccc1OC ZINC000062732387 518609155 /nfs/dbraw/zinc/60/91/55/518609155.db2.gz JBRMJFSRPTWYDI-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO C=CCN(CC=C)CC1(C[NH2+]C(C)C)CCOCC1 ZINC000052181531 518768624 /nfs/dbraw/zinc/76/86/24/518768624.db2.gz YHVHGCHUIRIPKP-UHFFFAOYSA-N 1 0 266.429 2.455 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000068616512 519735804 /nfs/dbraw/zinc/73/58/04/519735804.db2.gz JWPOIKHWCYVNSE-HRCADAONSA-N 1 0 281.444 2.404 10 30 CEEERO CC(C)C[NH2+]Cc1ccc(OCC#N)c([N+](=O)[O-])c1 ZINC000062730687 519747363 /nfs/dbraw/zinc/74/73/63/519747363.db2.gz FAVOFSPNZURSMN-UHFFFAOYSA-N 1 0 263.297 2.243 10 30 CEEERO CCC[NH2+]CCOc1cc(C#N)c2ccccc2n1 ZINC000068771657 519918795 /nfs/dbraw/zinc/91/87/95/519918795.db2.gz CSGPGQFUBAOPDC-UHFFFAOYSA-N 1 0 255.321 2.485 10 30 CEEERO CC(C)n1cc(NC(=O)c2ccc(C#CC[NH3+])cc2)cn1 ZINC000061684438 519965427 /nfs/dbraw/zinc/96/54/27/519965427.db2.gz LHHJBMBZXNXZTI-UHFFFAOYSA-N 1 0 282.347 2.027 10 30 CEEERO CCN[C@@H](C#N)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000062438714 520057651 /nfs/dbraw/zinc/05/76/51/520057651.db2.gz WCFXLJGRYTVMCG-JKSUJKDBSA-N 1 0 257.381 2.368 10 30 CEEERO CC[N@@H+](CC(=O)Nc1ccccc1C#N)CC1CC1 ZINC000069238176 520365202 /nfs/dbraw/zinc/36/52/02/520365202.db2.gz TWSOSRCKWPMSOR-UHFFFAOYSA-N 1 0 257.337 2.229 10 30 CEEERO CCCC[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000050890991 521147395 /nfs/dbraw/zinc/14/73/95/521147395.db2.gz QHWCXUFYCZHKOH-ZDUSSCGKSA-N 1 0 258.365 2.305 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)C(C)(C)[NH2+]C ZINC000061317360 521300273 /nfs/dbraw/zinc/30/02/73/521300273.db2.gz YHDLDVKPZLQISV-UHFFFAOYSA-N 1 0 277.343 2.044 10 30 CEEERO CCN(c1cc(C#N)c2ccccc2n1)[C@@H]1CC[NH2+]C1 ZINC000068771172 521478771 /nfs/dbraw/zinc/47/87/71/521478771.db2.gz MXLVRQCBIHVZEN-CYBMUJFWSA-N 1 0 266.348 2.295 10 30 CEEERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cccc(C#N)c1 ZINC000054628421 521956310 /nfs/dbraw/zinc/95/63/10/521956310.db2.gz STUDCCNNEXYCSZ-MQVJKMGUSA-N 1 0 255.365 2.273 10 30 CEEERO CC[C@H](NC(=O)c1ccc(OC)c(C#CC[NH3+])c1)C(C)C ZINC000049148559 522537479 /nfs/dbraw/zinc/53/74/79/522537479.db2.gz CSWCWKUJDWRROU-HNNXBMFYSA-N 1 0 288.391 2.170 10 30 CEEERO C[N@H+](Cc1ccc(C#CCCO)cc1F)[C@@H]1CCSC1 ZINC000049617804 523205339 /nfs/dbraw/zinc/20/53/39/523205339.db2.gz QKDOVCVPTOWYAL-OAHLLOKOSA-N 1 0 293.407 2.497 10 30 CEEERO C[N@@H+](Cc1ccc(F)c(C#CCO)c1)C[C@H]1CCCCO1 ZINC000049613712 523239630 /nfs/dbraw/zinc/23/96/30/523239630.db2.gz DCVRDSUFDNGAIN-MRXNPFEDSA-N 1 0 291.366 2.170 10 30 CEEERO CN(Cc1ccco1)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609124 523434043 /nfs/dbraw/zinc/43/40/43/523434043.db2.gz SSHZUGQERGQZIK-UHFFFAOYSA-N 1 0 272.323 2.361 10 30 CEEERO CN(c1cccc(C#N)c1)[C@@H](C[NH3+])c1cccnc1 ZINC000061950312 523645264 /nfs/dbraw/zinc/64/52/64/523645264.db2.gz TYKXZHSLNAIHTL-HNNXBMFYSA-N 1 0 252.321 2.089 10 30 CEEERO CC[C@H](C)[N@H+](C)Cc1cc(C#CCO)ccc1OC ZINC000049617206 523923080 /nfs/dbraw/zinc/92/30/80/523923080.db2.gz OINCHLIHSIJHSS-ZDUSSCGKSA-N 1 0 261.365 2.269 10 30 CEEERO COc1ccc(COCC(F)(F)F)cc1C#CC[NH3+] ZINC000049610354 524112798 /nfs/dbraw/zinc/11/27/98/524112798.db2.gz HJPGRAJSHYJFBA-UHFFFAOYSA-N 1 0 273.254 2.084 10 30 CEEERO C[C@@H]([NH3+])[C@@H](c1ccccn1)N(C)c1cccc(C#N)c1 ZINC000061950209 525006490 /nfs/dbraw/zinc/00/64/90/525006490.db2.gz LCNMJSBHZCVNNL-WBMJQRKESA-N 1 0 266.348 2.478 10 30 CEEERO Cc1ccc(C(=O)NCc2ccccc2C#CC[NH3+])cc1 ZINC000049586401 526187335 /nfs/dbraw/zinc/18/73/35/526187335.db2.gz CAPITNBUXDQEKY-UHFFFAOYSA-N 1 0 278.355 2.235 10 30 CEEERO Cc1ccc(C(=O)N[C@@H](C)c2ccc(C#CC[NH3+])cc2)o1 ZINC000049586691 526194624 /nfs/dbraw/zinc/19/46/24/526194624.db2.gz GLHLWWCQLCAAAY-ZDUSSCGKSA-N 1 0 282.343 2.389 10 30 CEEERO C[C@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])s2)[C@H]1C ZINC000050568543 526266691 /nfs/dbraw/zinc/26/66/91/526266691.db2.gz LLLUGCBHFRYQJR-RYUDHWBXSA-N 1 0 276.405 2.319 10 30 CEEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]C1CCC(C(N)=O)CC1 ZINC000054825992 526498915 /nfs/dbraw/zinc/49/89/15/526498915.db2.gz MTSQVFBSLWKMKY-YIOUJQMASA-N 1 0 263.385 2.093 10 30 CEEERO N#Cc1cc(N2CCC(C[NH3+])CC2)nc2ccccc12 ZINC000068770871 526564924 /nfs/dbraw/zinc/56/49/24/526564924.db2.gz JLYUUGLQEKCTGI-UHFFFAOYSA-N 1 0 266.348 2.282 10 30 CEEERO N#Cc1cc(N[C@@H]2CC[NH2+]C2)ccc1C(F)(F)F ZINC000164075036 526573984 /nfs/dbraw/zinc/57/39/84/526573984.db2.gz GPKSUPDVGRFUGT-SNVBAGLBSA-N 1 0 255.243 2.351 10 30 CEEERO N#Cc1cc(OCC2CC[NH2+]CC2)nc2ccccc12 ZINC000068771663 526575061 /nfs/dbraw/zinc/57/50/61/526575061.db2.gz BMRKOSZPBLTKKQ-UHFFFAOYSA-N 1 0 267.332 2.485 10 30 CEEERO N#Cc1cccc(OCc2[nH+]c(NN)ccc2Cl)c1 ZINC000061639920 526729147 /nfs/dbraw/zinc/72/91/47/526729147.db2.gz KEJRJYAUHOBNQH-UHFFFAOYSA-N 1 0 274.711 2.471 10 30 CEEERO N#Cc1ccccc1OCc1ccccc1C#CC[NH3+] ZINC000049610823 526746797 /nfs/dbraw/zinc/74/67/97/526746797.db2.gz GRZRRKYAYZVVNF-UHFFFAOYSA-N 1 0 262.312 2.447 10 30 CEEERO [NH3+]CC#Cc1cc(CN2CCCCCCC2=O)ccc1F ZINC000049610005 527146765 /nfs/dbraw/zinc/14/67/65/527146765.db2.gz FMYYEBNJZURCNI-UHFFFAOYSA-N 1 0 288.366 2.429 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2ccco2)c1 ZINC000061691984 527150188 /nfs/dbraw/zinc/15/01/88/527150188.db2.gz YZGRNBNLZCLAFX-UHFFFAOYSA-N 1 0 274.707 2.496 10 30 CEEERO [NH3+]CC#Cc1ccc(F)c(CNC(=O)c2ccccc2)c1 ZINC000049587003 527152507 /nfs/dbraw/zinc/15/25/07/527152507.db2.gz BBGZCZWBODISMO-UHFFFAOYSA-N 1 0 282.318 2.066 10 30 CEEERO Cn1cc(SCc2ccc(F)c(C#CC[NH3+])c2)cn1 ZINC000049612947 527292030 /nfs/dbraw/zinc/29/20/30/527292030.db2.gz SILUFIBLWQYUBE-UHFFFAOYSA-N 1 0 275.352 2.162 10 30 CEEERO Cn1cccc1C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691949 527390522 /nfs/dbraw/zinc/39/05/22/527390522.db2.gz DGFWVTMWOCAJAC-UHFFFAOYSA-N 1 0 287.750 2.241 10 30 CEEERO N#Cc1ccccc1/C=C\C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255668228 625368653 /nfs/dbraw/zinc/36/86/53/625368653.db2.gz RSXPWSJGGZETHQ-XZVRFQMRSA-N 1 0 295.386 2.268 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@@H]1[NH3+] ZINC000235326061 624709031 /nfs/dbraw/zinc/70/90/31/624709031.db2.gz FCTCPWVJPPXWQX-KCJUWKMLSA-N 1 0 280.169 2.104 10 30 CEEERO N#Cc1ccc(Cl)cc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261578995 628941571 /nfs/dbraw/zinc/94/15/71/628941571.db2.gz PHOJZQOUEXJTLT-YPMHNXCESA-N 1 0 261.756 2.400 10 30 CEEERO Cc1cccc(NC(=[NH2+])NCc2cn3c(n2)CCCC3)c1 ZINC000261990851 629413377 /nfs/dbraw/zinc/41/33/77/629413377.db2.gz LVQHKLORENFQDF-UHFFFAOYSA-N 1 0 283.379 2.455 10 30 CEEERO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227567110 639595639 /nfs/dbraw/zinc/59/56/39/639595639.db2.gz XOZGYDMPJRDIHF-HNNXBMFYSA-N 1 0 274.364 2.031 10 30 CEEERO C[C@H]1[NH2+]CCC[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000229608222 639710058 /nfs/dbraw/zinc/71/00/58/639710058.db2.gz VJGOYDGHIOJELT-MWLCHTKSSA-N 1 0 260.297 2.019 10 30 CEEERO C=CCOc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000238004074 641418799 /nfs/dbraw/zinc/41/87/99/641418799.db2.gz SCGAPSZTNDLECU-ZFWWWQNUSA-N 1 0 274.364 2.109 10 30 CEEERO C=C(Br)CN1C[C@H](CC)[NH2+]C[C@@H]1CC ZINC000083117809 178338160 /nfs/dbraw/zinc/33/81/60/178338160.db2.gz MRKAEOUBOJONNT-QWRGUYRKSA-N 1 0 261.207 2.357 10 30 CEEERO CC(C)[NH2+]CCCC(=O)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000096601513 185108179 /nfs/dbraw/zinc/10/81/79/185108179.db2.gz FJQMAFKOUFSNCX-UHFFFAOYSA-N 1 0 290.323 2.183 10 30 CEEERO C[C@@H]1C[NH2+]CCN1c1ccc(C(F)(F)F)cc1C#N ZINC000054374960 343589597 /nfs/dbraw/zinc/58/95/97/343589597.db2.gz DUGIUOCISVTRKG-SECBINFHSA-N 1 0 269.270 2.375 10 30 CEEERO CCN(CC[NH3+])c1ccc(C#N)cc1Br ZINC000165936273 344474927 /nfs/dbraw/zinc/47/49/27/344474927.db2.gz KXRLQGNVKJHXLV-UHFFFAOYSA-N 1 0 268.158 2.106 10 30 CEEERO C#C[C@@H]([NH3+])c1cccc(C)c1I ZINC000235809238 344593022 /nfs/dbraw/zinc/59/30/22/344593022.db2.gz GMDJZEPCILHQCT-SECBINFHSA-N 1 0 271.101 2.233 10 30 CEEERO C=CC[C@@H](C[NH3+])c1cc(OC)c(OC)c(OC)c1 ZINC000584594920 344961040 /nfs/dbraw/zinc/96/10/40/344961040.db2.gz FIWUDKLYVATXMX-JTQLQIEISA-N 1 0 251.326 2.331 10 30 CEEERO CC(C)(C#N)CCC[NH+]1CCN(c2ncccc2N)CC1 ZINC000087599511 534982293 /nfs/dbraw/zinc/98/22/93/534982293.db2.gz MXSAOERUOZHKNC-UHFFFAOYSA-N 1 0 287.411 2.116 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C)nc(C)c1C#N ZINC000127355366 187299363 /nfs/dbraw/zinc/29/93/63/187299363.db2.gz SIONABKBJTWGED-CQSZACIVSA-N 1 0 272.396 2.491 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(NCCC2CC[NH2+]CC2)c1 ZINC000593233167 345456862 /nfs/dbraw/zinc/45/68/62/345456862.db2.gz KXRYHPZSTHNEBT-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)c2ccc(C#N)cc2)cn1 ZINC000127417151 187305220 /nfs/dbraw/zinc/30/52/20/187305220.db2.gz BHQOCBNQENRZNB-IRXDYDNUSA-N 1 0 296.374 2.162 10 30 CEEERO C=C(CC)Cn1nc(C)c(CC[NH2+]CCOC)c1C ZINC000097209187 185564564 /nfs/dbraw/zinc/56/45/64/185564564.db2.gz ITNOTHPVYUXSBF-UHFFFAOYSA-N 1 0 265.401 2.245 10 30 CEEERO N#Cc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccn1 ZINC000594693039 345673109 /nfs/dbraw/zinc/67/31/09/345673109.db2.gz JBKILOCXZFFHAC-CQSZACIVSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1ccnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594693787 345673336 /nfs/dbraw/zinc/67/33/36/345673336.db2.gz UPJFAORJNOLEIV-OAHLLOKOSA-N 1 0 270.380 2.169 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1NCC12CC(C1)C[NH2+]2 ZINC000596027122 345925103 /nfs/dbraw/zinc/92/51/03/345925103.db2.gz OOBPMIAAJLDIPC-UHFFFAOYSA-N 1 0 282.269 2.136 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000085358195 179031492 /nfs/dbraw/zinc/03/14/92/179031492.db2.gz HDYWDGSEQMALBX-PWSUYJOCSA-N 1 0 263.728 2.278 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085368366 179038019 /nfs/dbraw/zinc/03/80/19/179038019.db2.gz KCRAGIQPHCYLMO-HIFRSBDPSA-N 1 0 289.354 2.173 10 30 CEEERO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC000085368151 179038026 /nfs/dbraw/zinc/03/80/26/179038026.db2.gz LHDNLLZJNJCPHF-GJZGRUSLSA-N 1 0 271.364 2.034 10 30 CEEERO N#Cc1cc(Br)ccc1NCCOCCC[NH3+] ZINC000600955873 346716764 /nfs/dbraw/zinc/71/67/64/346716764.db2.gz SZNSLEZEQXISOU-UHFFFAOYSA-N 1 0 298.184 2.098 10 30 CEEERO C[C@H]1[C@H](NC(=O)c2cc(F)ccc2C#CC[NH3+])CC[C@@H]1C ZINC000086081149 179227396 /nfs/dbraw/zinc/22/73/96/179227396.db2.gz CVAKZXXMOYJEQX-HWWQOWPSSA-N 1 0 288.366 2.300 10 30 CEEERO N#Cc1ccc(Cl)cc1NC[C@H](O)C[NH+]1CCCC1 ZINC000086114845 179234304 /nfs/dbraw/zinc/23/43/04/179234304.db2.gz ZYMVEEMIMJWHNO-ZDUSSCGKSA-N 1 0 279.771 2.080 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(F)cc1Br ZINC000086139050 179236281 /nfs/dbraw/zinc/23/62/81/179236281.db2.gz HTRGRZNAQIFLAK-UHFFFAOYSA-N 1 0 287.132 2.302 10 30 CEEERO CC[C@@H]1CN(CCOc2ccc(C#N)cc2)[C@@H](CC)C[NH2+]1 ZINC000086463694 179296483 /nfs/dbraw/zinc/29/64/83/179296483.db2.gz YYHAKLJCEFAHHX-CVEARBPZSA-N 1 0 287.407 2.399 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)CCC(F)(F)F)c(F)c1 ZINC000088834253 179680181 /nfs/dbraw/zinc/68/01/81/179680181.db2.gz DTTMPSLIDUQJRJ-UHFFFAOYSA-N 1 0 288.244 2.417 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000090323074 179958617 /nfs/dbraw/zinc/95/86/17/179958617.db2.gz MFYAECDVOCOBLJ-GHMZBOCLSA-N 1 0 281.281 2.233 10 30 CEEERO C[C@H](C[NH3+])CSCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000090350193 179972261 /nfs/dbraw/zinc/97/22/61/179972261.db2.gz CLSLAJLOGJVFOS-SECBINFHSA-N 1 0 297.811 2.478 10 30 CEEERO Cc1ncsc1CN(C)Cc1sccc1C#CC[NH3+] ZINC000104433294 186000689 /nfs/dbraw/zinc/00/06/89/186000689.db2.gz CWRIUABFDZIDNI-UHFFFAOYSA-N 1 0 291.445 2.455 10 30 CEEERO C=CCN(C(=O)c1csc(CC[NH3+])n1)C1CCCC1 ZINC000090950290 180071930 /nfs/dbraw/zinc/07/19/30/180071930.db2.gz MKZRJOSBMLFJLC-UHFFFAOYSA-N 1 0 279.409 2.215 10 30 CEEERO CC(C)(C#N)N1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090977029 180078700 /nfs/dbraw/zinc/07/87/00/180078700.db2.gz NIEAJAIADURRJL-OAHLLOKOSA-N 1 0 269.392 2.246 10 30 CEEERO COCC[NH2+]Cc1c(C)nn(CCC(C)(C)C#N)c1C ZINC000091002389 180083880 /nfs/dbraw/zinc/08/38/80/180083880.db2.gz BWBIRGIZXOLCOI-UHFFFAOYSA-N 1 0 278.400 2.176 10 30 CEEERO N#CCCN(C(=O)C[C@@H]1CSCC[NH2+]1)c1ccccc1 ZINC000091134219 180103115 /nfs/dbraw/zinc/10/31/15/180103115.db2.gz MARXAFIFTGOBEU-CYBMUJFWSA-N 1 0 289.404 2.028 10 30 CEEERO C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000091361209 180141305 /nfs/dbraw/zinc/14/13/05/180141305.db2.gz ABPWYMZFUUAKQV-RFGFWPKPSA-N 1 0 263.385 2.058 10 30 CEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1ccccc1Cl ZINC000091460983 180161579 /nfs/dbraw/zinc/16/15/79/180161579.db2.gz FQPCKCIGSCTDGF-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO CC[C@@H]1CCC[C@H](NC(=O)c2ccncc2C#CC[NH3+])C1 ZINC000091463579 180162581 /nfs/dbraw/zinc/16/25/81/180162581.db2.gz BIVHYDUCTSYBRB-HIFRSBDPSA-N 1 0 285.391 2.090 10 30 CEEERO C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1ccncc1C#CC[NH3+] ZINC000091462530 180162605 /nfs/dbraw/zinc/16/26/05/180162605.db2.gz ISVLTRJOMFUMSP-CJNGLKHVSA-N 1 0 285.391 2.043 10 30 CEEERO C#CCC[C@@H]([NH2+]CCC)C1(N2CCOCC2)CCCC1 ZINC000091646364 180215322 /nfs/dbraw/zinc/21/53/22/180215322.db2.gz NTKCSVHBPLFCCR-MRXNPFEDSA-N 1 0 278.440 2.413 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@H](C)C[NH2+]C)cc1 ZINC000092134100 180331438 /nfs/dbraw/zinc/33/14/38/180331438.db2.gz NBXOBEFLDZEUMP-CYBMUJFWSA-N 1 0 276.380 2.065 10 30 CEEERO Cc1ncc(CN2CC[NH+](CCCCC#N)CC2)s1 ZINC000105814857 186073124 /nfs/dbraw/zinc/07/31/24/186073124.db2.gz RFTFUTDIEWIGTB-UHFFFAOYSA-N 1 0 278.425 2.263 10 30 CEEERO CC(C)(C#N)c1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1 ZINC000092202434 180343034 /nfs/dbraw/zinc/34/30/34/180343034.db2.gz USVBMSSSPWELFX-WCQYABFASA-N 1 0 269.348 2.330 10 30 CEEERO Cc1nn(-c2cccc(C#N)c2)c(C)c1C[C@H](C)[NH3+] ZINC000092319896 180361643 /nfs/dbraw/zinc/36/16/43/180361643.db2.gz YTUKEDNOZLMBRJ-JTQLQIEISA-N 1 0 254.337 2.251 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](c1cccs1)C(C)C ZINC000105996644 186096351 /nfs/dbraw/zinc/09/63/51/186096351.db2.gz MRQGBZUDCDAXKL-ZDUSSCGKSA-N 1 0 252.383 2.337 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000092473891 180393654 /nfs/dbraw/zinc/39/36/54/180393654.db2.gz KMEWMHHLENFWAO-UHFFFAOYSA-N 1 0 288.269 2.342 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(-c2cnco2)c1 ZINC000092474459 180393793 /nfs/dbraw/zinc/39/37/93/180393793.db2.gz WVRRUOJTBNOJGX-UHFFFAOYSA-N 1 0 257.293 2.056 10 30 CEEERO COc1ccc([C@H](C#N)NCC[NH+](C)C)c(Cl)c1OC ZINC000110830024 186327856 /nfs/dbraw/zinc/32/78/56/186327856.db2.gz SGCBFGNCXNZWEJ-NSHDSACASA-N 1 0 297.786 2.073 10 30 CEEERO CCN(c1nc2c(cc1C#N)CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000110946834 186335243 /nfs/dbraw/zinc/33/52/43/186335243.db2.gz GWEFTKNXQKAJGG-OAHLLOKOSA-N 1 0 284.407 2.410 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)[C@H]1CCC[NH2+]C1 ZINC000110944150 186335703 /nfs/dbraw/zinc/33/57/03/186335703.db2.gz PSUCUIQVFZKGIL-AWEZNQCLSA-N 1 0 261.344 2.271 10 30 CEEERO CCCN(c1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000110948309 186335873 /nfs/dbraw/zinc/33/58/73/186335873.db2.gz IPRQMTACCSQLOB-CQSZACIVSA-N 1 0 288.351 2.435 10 30 CEEERO N#CCc1nc2ccccc2n1[C@H](C[NH3+])c1cccnc1 ZINC000110951709 186336891 /nfs/dbraw/zinc/33/68/91/186336891.db2.gz PHPGXOSBJZRQBZ-OAHLLOKOSA-N 1 0 277.331 2.045 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@H](C)[NH2+]C ZINC000110959863 186336969 /nfs/dbraw/zinc/33/69/69/186336969.db2.gz JJHGZRGHDPPXOX-QWHCGFSZSA-N 1 0 276.380 2.345 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)s1 ZINC000111102483 186352944 /nfs/dbraw/zinc/35/29/44/186352944.db2.gz WPJRQLNGZGLLBF-XQQFMLRXSA-N 1 0 288.416 2.224 10 30 CEEERO CCOCC[N@H+](CC)CCC[C@@](C)(C#N)NC(C)C ZINC000111121622 186355048 /nfs/dbraw/zinc/35/50/48/186355048.db2.gz SFMXOFPJHPOAKI-HNNXBMFYSA-N 1 0 269.433 2.405 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](C)C[C@@H]1CCCOC1 ZINC000111169020 186365224 /nfs/dbraw/zinc/36/52/24/186365224.db2.gz ICDLAQOJABMONU-JKSUJKDBSA-N 1 0 281.444 2.407 10 30 CEEERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000111267561 186383090 /nfs/dbraw/zinc/38/30/90/186383090.db2.gz MQUYZUXJJFLZMG-SWLSCSKDSA-N 1 0 287.363 2.163 10 30 CEEERO COCC[NH2+]C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000111705126 186447661 /nfs/dbraw/zinc/44/76/61/186447661.db2.gz TZHVDNZNBSVYSP-QGZVFWFLSA-N 1 0 287.407 2.149 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000070174820 363048576 /nfs/dbraw/zinc/04/85/76/363048576.db2.gz VTIFTVSCDMJQKM-TZMCWYRMSA-N 1 0 284.407 2.396 10 30 CEEERO CC(=O)c1ccc(C#N)cc1N1CCN2CCCC[C@@H]2C1 ZINC000131229441 366032660 /nfs/dbraw/zinc/03/26/60/366032660.db2.gz YIFKJDXZOANEHO-OAHLLOKOSA-N 1 0 283.375 2.435 10 30 CEEERO N#Cc1cc(Br)ccc1N[C@H]1CC[NH2+]C1 ZINC000132690240 366163566 /nfs/dbraw/zinc/16/35/66/366163566.db2.gz IPGVGJOIQZBVEZ-JTQLQIEISA-N 1 0 266.142 2.095 10 30 CEEERO N#CCSCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000074981859 363429528 /nfs/dbraw/zinc/42/95/28/363429528.db2.gz GJNHDIZXIZTNOE-STQMWFEESA-N 1 0 254.399 2.277 10 30 CEEERO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc2ccccc12 ZINC000261702328 283107554 /nfs/dbraw/zinc/10/75/54/283107554.db2.gz OJFDVSHQPMHAED-GXTWGEPZSA-N 1 0 278.359 2.152 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CCCC[C@H]1C[NH3+] ZINC000094337360 283136157 /nfs/dbraw/zinc/13/61/57/283136157.db2.gz SDMCWQHTBCSYMU-JTQLQIEISA-N 1 0 284.285 2.290 10 30 CEEERO N#Cc1ccc(F)cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000247694303 283151960 /nfs/dbraw/zinc/15/19/60/283151960.db2.gz SZAQVPGWAPHESN-INIZCTEOSA-N 1 0 273.355 2.367 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(F)c1 ZINC000252869698 283170858 /nfs/dbraw/zinc/17/08/58/283170858.db2.gz RZVDATHBUOZTDZ-SGMGOOAPSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1cc(F)cc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000019148320 361521177 /nfs/dbraw/zinc/52/11/77/361521177.db2.gz JSVJBGATLPJZHB-OAHLLOKOSA-N 1 0 287.338 2.008 10 30 CEEERO C=CCN1C[C@H]([NH3+])c2cc(Br)ccc21 ZINC000019795865 361555500 /nfs/dbraw/zinc/55/55/00/361555500.db2.gz UYIMTZSEPHRKSG-JTQLQIEISA-N 1 0 253.143 2.455 10 30 CEEERO CCC(C#N)(CC)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000094447218 364274799 /nfs/dbraw/zinc/27/47/99/364274799.db2.gz VJUKUWNMYQHWCW-KBPBESRZSA-N 1 0 277.412 2.402 10 30 CEEERO C[NH2+]C[C@@H]1CCCN1c1nc(C(F)(F)F)ccc1C#N ZINC000156660809 366836034 /nfs/dbraw/zinc/83/60/34/366836034.db2.gz JPLDXNLPWBMJDR-JTQLQIEISA-N 1 0 284.285 2.160 10 30 CEEERO C[NH+](C)[C@@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000113817467 364915058 /nfs/dbraw/zinc/91/50/58/364915058.db2.gz BEHKDAOQEUTQSK-GFCCVEGCSA-N 1 0 294.196 2.461 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](CCOc3ccc(C#N)cc3)C2)cn1 ZINC000116318737 365051926 /nfs/dbraw/zinc/05/19/26/365051926.db2.gz WTVWLDRMYQXYRS-OAHLLOKOSA-N 1 0 296.374 2.160 10 30 CEEERO C#CCOc1ccc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1 ZINC000120735118 365467299 /nfs/dbraw/zinc/46/72/99/365467299.db2.gz BYSBUPOTPIMJSY-GOEBONIOSA-N 1 0 298.386 2.007 10 30 CEEERO C[NH2+][C@@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000161818102 367114611 /nfs/dbraw/zinc/11/46/11/367114611.db2.gz ZPCKKADDKZGCFT-SECBINFHSA-N 1 0 280.169 2.119 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(CC#N)c1 ZINC000172054913 367665346 /nfs/dbraw/zinc/66/53/46/367665346.db2.gz OUCAICZZANWXFI-CZUORRHYSA-N 1 0 283.375 2.061 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cccc(CC#N)c1 ZINC000177012910 368257676 /nfs/dbraw/zinc/25/76/76/368257676.db2.gz CQQZKOORLWXVDW-INIZCTEOSA-N 1 0 285.391 2.309 10 30 CEEERO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000180037360 368364079 /nfs/dbraw/zinc/36/40/79/368364079.db2.gz IUYVGJWBFLNEJZ-HZSPNIEDSA-N 1 0 252.402 2.339 10 30 CEEERO Clc1ccc(C#CCN2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246352441 370949801 /nfs/dbraw/zinc/94/98/01/370949801.db2.gz MHHSGYDIKFVHNR-INIZCTEOSA-N 1 0 274.795 2.472 10 30 CEEERO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])c(C#N)n2)CC1 ZINC000232832702 370513362 /nfs/dbraw/zinc/51/33/62/370513362.db2.gz DRUQXBJEQJBQAQ-UHFFFAOYSA-N 1 0 289.339 2.005 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000246836280 371018869 /nfs/dbraw/zinc/01/88/69/371018869.db2.gz DYJRVOUFOWYELT-IUODEOHRSA-N 1 0 271.364 2.017 10 30 CEEERO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1cccc(C#N)c1 ZINC000232861177 189818822 /nfs/dbraw/zinc/81/88/22/189818822.db2.gz LTNFVEBFCYOSGP-CQSZACIVSA-N 1 0 286.379 2.458 10 30 CEEERO C=C(Br)CN1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250517563 371385649 /nfs/dbraw/zinc/38/56/49/371385649.db2.gz IGRPDDFJSIMTRE-MNOVXSKESA-N 1 0 259.191 2.111 10 30 CEEERO Cc1nc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)cc1C#N ZINC000261752264 371719748 /nfs/dbraw/zinc/71/97/48/371719748.db2.gz NALJSJCLILSPHC-VHRBIJSZSA-N 1 0 290.798 2.479 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccc(OC(F)F)cc1 ZINC000093375102 184668340 /nfs/dbraw/zinc/66/83/40/184668340.db2.gz YNTRDLVSVRKWBR-LLVKDONJSA-N 1 0 267.279 2.145 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@H]1c1ccc2ncccc2c1 ZINC000093375449 184668358 /nfs/dbraw/zinc/66/83/58/184668358.db2.gz LHAINANBDLCAEY-CQSZACIVSA-N 1 0 252.321 2.092 10 30 CEEERO CC(C)CN(CCC#N)C(=O)C1CCC(C[NH3+])CC1 ZINC000093425326 184674100 /nfs/dbraw/zinc/67/41/00/184674100.db2.gz ASYVTCVYCHAXDB-UHFFFAOYSA-N 1 0 265.401 2.150 10 30 CEEERO C[C@@H]1CCCCN1C(=O)c1csc(C#CC[NH3+])c1 ZINC000093975576 184747354 /nfs/dbraw/zinc/74/73/54/184747354.db2.gz JICYAXCOPLYONI-LLVKDONJSA-N 1 0 262.378 2.073 10 30 CEEERO Cc1cc(C(=O)NCc2ccccc2)sc1C#CC[NH3+] ZINC000094536047 184814769 /nfs/dbraw/zinc/81/47/69/184814769.db2.gz PYKATGVQNIMBGK-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO C[NH2+]C1CCC(N(C)c2ccc(C#N)c([N+](=O)[O-])c2)CC1 ZINC000094592361 184822567 /nfs/dbraw/zinc/82/25/67/184822567.db2.gz QVHXISJIOJLUQQ-UHFFFAOYSA-N 1 0 288.351 2.433 10 30 CEEERO C=CC[NH+]1CCC(Nc2ccc(SC)nn2)CC1 ZINC000301392867 394460237 /nfs/dbraw/zinc/46/02/37/394460237.db2.gz IPIHTKAIBVWGNG-UHFFFAOYSA-N 1 0 264.398 2.261 10 30 CEEERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1cccc(C#N)n1 ZINC000251919432 394569801 /nfs/dbraw/zinc/56/98/01/394569801.db2.gz XVRMQJTYZNZOPW-JSGCOSHPSA-N 1 0 256.353 2.016 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261783967 394607610 /nfs/dbraw/zinc/60/76/10/394607610.db2.gz XCJXXULTODHMFK-GARJFASQSA-N 1 0 296.296 2.146 10 30 CEEERO N#Cc1cc2c(nc1N1CC[N@@H+]3CCCC[C@@H]3C1)CCC2 ZINC000107813140 394728482 /nfs/dbraw/zinc/72/84/82/394728482.db2.gz ZPVFZNYTDXZWLQ-OAHLLOKOSA-N 1 0 282.391 2.116 10 30 CEEERO C[C@H](C(=O)N[C@@H]1CCC[C@@H]1C#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000359672048 394770817 /nfs/dbraw/zinc/77/08/17/394770817.db2.gz JBETWZJMIISCRB-XVIXHAIJSA-N 1 0 263.385 2.056 10 30 CEEERO C=CC[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195258912 395462836 /nfs/dbraw/zinc/46/28/36/395462836.db2.gz GHZQVAMWEVYTOC-CYBMUJFWSA-N 1 0 265.426 2.391 10 30 CEEERO C=CCCCCC[N@H+]1CCN(C[C@@H](C)O)[C@H](C)C1 ZINC000193336104 395406912 /nfs/dbraw/zinc/40/69/12/395406912.db2.gz YTLOMTLZOSAOMW-HUUCEWRRSA-N 1 0 254.418 2.120 10 30 CEEERO CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094591705 400245629 /nfs/dbraw/zinc/24/56/29/400245629.db2.gz SIHNUYXRQJVANE-ZDUSSCGKSA-N 1 0 274.324 2.363 10 30 CEEERO CC[N@@H+]1CCC[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094591706 400245776 /nfs/dbraw/zinc/24/57/76/400245776.db2.gz SIHNUYXRQJVANE-CYBMUJFWSA-N 1 0 274.324 2.363 10 30 CEEERO N#Cc1cccc(C[N@H+]2CCC[C@H]2CCCO)c1F ZINC000223529321 153317231 /nfs/dbraw/zinc/31/72/31/153317231.db2.gz KZQKZMIMIPJWFS-AWEZNQCLSA-N 1 0 262.328 2.434 10 30 CEEERO C[NH+](C)CCCN[C@H](C#N)c1ccc(Cl)cc1 ZINC000020174192 171041522 /nfs/dbraw/zinc/04/15/22/171041522.db2.gz YTLAEGMPFFNVPZ-CYBMUJFWSA-N 1 0 251.761 2.446 10 30 CEEERO CC(C)[C@H](C)N(C)C(=O)c1ccccc1C#CC[NH3+] ZINC000037571449 173522254 /nfs/dbraw/zinc/52/22/54/173522254.db2.gz YRTMYGMTGDBQMP-ZDUSSCGKSA-N 1 0 258.365 2.113 10 30 CEEERO CCC[C@@](C)([NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC000038101700 174117985 /nfs/dbraw/zinc/11/79/85/174117985.db2.gz NDQDZSHFFQPQPP-OAHLLOKOSA-N 1 0 259.353 2.056 10 30 CEEERO CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000040462985 174272120 /nfs/dbraw/zinc/27/21/20/174272120.db2.gz IKGIUBGQIDHEDE-WDMOLILDSA-N 1 0 259.353 2.109 10 30 CEEERO N#Cc1ccc(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c(F)c1 ZINC000040749971 174395254 /nfs/dbraw/zinc/39/52/54/174395254.db2.gz MFQARLGLDWJYAI-AGUYFDCRSA-N 1 0 259.328 2.151 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000662857484 414777806 /nfs/dbraw/zinc/77/78/06/414777806.db2.gz MQUAXDYVVMWTBG-MGPQQGTHSA-N 1 0 250.386 2.176 10 30 CEEERO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000657911403 415123115 /nfs/dbraw/zinc/12/31/15/415123115.db2.gz DRZDGKWQEPNDIC-QLFBSQMISA-N 1 0 252.402 2.042 10 30 CEEERO COc1cc(C#N)ccc1O[C@H](c1cccnc1)[C@@H](C)[NH3+] ZINC000043349280 175019181 /nfs/dbraw/zinc/01/91/81/175019181.db2.gz NIYCADBAJUGGOS-BZNIZROVSA-N 1 0 283.331 2.429 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1ccncc1 ZINC000043355754 175023729 /nfs/dbraw/zinc/02/37/29/175023729.db2.gz UHCGYIADQRJHGK-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO COc1cc(C#N)ccc1O[C@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043383399 175031191 /nfs/dbraw/zinc/03/11/91/175031191.db2.gz XRTKAWFLLPSKMS-WRWORJQWSA-N 1 0 274.242 2.224 10 30 CEEERO CC[C@@H]1CO[C@H](C)CN1Cc1ccc(C#CC[NH3+])s1 ZINC000043683974 175092171 /nfs/dbraw/zinc/09/21/71/175092171.db2.gz IEEANJQYYGGUBS-CHWSQXEVSA-N 1 0 278.421 2.058 10 30 CEEERO N#Cc1cc2c(nc1NC[C@H]1CCC[NH2+]C1)CCCC2 ZINC000044503059 175186448 /nfs/dbraw/zinc/18/64/48/175186448.db2.gz OZVBYYWTCPNVHS-LBPRGKRZSA-N 1 0 270.380 2.244 10 30 CEEERO Cc1c(C)n(C[C@@H](C)[NH+]2CCCCC2)c(N)c1C#N ZINC000045006745 175288204 /nfs/dbraw/zinc/28/82/04/175288204.db2.gz DCWIICMVXJNRMS-LLVKDONJSA-N 1 0 260.385 2.433 10 30 CEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)CCc1ccncc1 ZINC000045181464 175324781 /nfs/dbraw/zinc/32/47/81/175324781.db2.gz XNVSJYORORIQLZ-INIZCTEOSA-N 1 0 274.412 2.226 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCN1CC[NH+](C(C)(C)C)CC1 ZINC000045182853 175325407 /nfs/dbraw/zinc/32/54/07/175325407.db2.gz GZPNHBBUBCCOJF-MRXNPFEDSA-N 1 0 280.460 2.073 10 30 CEEERO CC[N@H+](CCCC[C@@](C)(C#N)NC)[C@@H](C)COC ZINC000045314243 175357404 /nfs/dbraw/zinc/35/74/04/175357404.db2.gz WHMKCZILANPBDT-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO CC(C)[NH2+][C@@H]1CCCN(c2ccc(CC#N)cc2)C1=O ZINC000071041483 176027872 /nfs/dbraw/zinc/02/78/72/176027872.db2.gz QOKYSHIKKNMUJR-OAHLLOKOSA-N 1 0 271.364 2.246 10 30 CEEERO CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1(C#N)CCCCCC1 ZINC000071190161 176066077 /nfs/dbraw/zinc/06/60/77/176066077.db2.gz XRMANDHLTSIOMJ-AWEZNQCLSA-N 1 0 277.412 2.261 10 30 CEEERO C[C@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000071210976 176083237 /nfs/dbraw/zinc/08/32/37/176083237.db2.gz ZTAZOYZCXFGUEP-XHDPSFHLSA-N 1 0 274.339 2.054 10 30 CEEERO C[C@@H]1CCC[C@@H]1NC(=O)c1cc(C#CC[NH3+])ccc1F ZINC000071210981 176083293 /nfs/dbraw/zinc/08/32/93/176083293.db2.gz HHJLDNBINKPUMF-ABAIWWIYSA-N 1 0 274.339 2.054 10 30 CEEERO [NH3+]CC#Cc1csc(CNC(=O)c2ccsc2)c1 ZINC000071322561 176122795 /nfs/dbraw/zinc/12/27/95/176122795.db2.gz DCZMHUXOGHKEGF-UHFFFAOYSA-N 1 0 276.386 2.050 10 30 CEEERO Cc1cccc(C(=O)NCc2ccc(C#CC[NH3+])s2)c1 ZINC000071322673 176123089 /nfs/dbraw/zinc/12/30/89/176123089.db2.gz AKHNCSJCNQELMF-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO CCN(CCC#N)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400835 176153046 /nfs/dbraw/zinc/15/30/46/176153046.db2.gz JAXQFEPVWKGPFD-AWEZNQCLSA-N 1 0 259.353 2.229 10 30 CEEERO Cc1c2c(ccc1Cl)[C@H](C#N)N(CC[NH+](C)C)C2=O ZINC000071679707 176244263 /nfs/dbraw/zinc/24/42/63/176244263.db2.gz WDZRRVDDLLYSPB-LBPRGKRZSA-N 1 0 277.755 2.231 10 30 CEEERO CC(C)[C@H](CC[NH3+])CCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000079278561 177462394 /nfs/dbraw/zinc/46/23/94/177462394.db2.gz SPAOSITZPKZVQJ-BFHYXJOUSA-N 1 0 265.401 2.196 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1CCOCC1 ZINC000127998976 264274920 /nfs/dbraw/zinc/27/49/20/264274920.db2.gz SGUQSRSMAJBXPC-LSDHHAIUSA-N 1 0 279.428 2.299 10 30 CEEERO CCCNC(NCc1cc(F)cc2c1OCOC2)=[NH+]CC ZINC000073505817 264290492 /nfs/dbraw/zinc/29/04/92/264290492.db2.gz WXJFXFOPJOGUAW-UHFFFAOYSA-N 1 0 295.358 2.157 10 30 CEEERO C[C@H]1CN(c2cccc(Br)c2C#N)C[C@H]1[NH3+] ZINC000261535001 274595383 /nfs/dbraw/zinc/59/53/83/274595383.db2.gz VLSVVCABOINKRB-GZMMTYOYSA-N 1 0 280.169 2.104 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000118895293 274925677 /nfs/dbraw/zinc/92/56/77/274925677.db2.gz YRJVQIWEIFPUJN-GHMZBOCLSA-N 1 0 260.297 2.148 10 30 CEEERO CC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118393536 277058387 /nfs/dbraw/zinc/05/83/87/277058387.db2.gz RYEUYVUUYUUFCX-LRDDRELGSA-N 1 0 271.364 2.220 10 30 CEEERO C[C@@H](C[NH3+])Nc1cccc(Br)c1C#N ZINC000165080314 278251015 /nfs/dbraw/zinc/25/10/15/278251015.db2.gz BPFHJADLDLAHKJ-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO C[C@H]1CCN(c2c(F)cc(C#N)cc2F)[C@H](C[NH3+])C1 ZINC000261575619 278369556 /nfs/dbraw/zinc/36/95/56/278369556.db2.gz ZHSUIOCBNALSEK-ONGXEEELSA-N 1 0 265.307 2.400 10 30 CEEERO C=CCSCC[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000186395595 329343861 /nfs/dbraw/zinc/34/38/61/329343861.db2.gz BIXFKYULAXZQMD-ZIAGYGMSSA-N 1 0 285.453 2.469 10 30 CEEERO C=CCOc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1OC ZINC000262013757 329997394 /nfs/dbraw/zinc/99/73/94/329997394.db2.gz MNYLAGNHXARMMC-GXTWGEPZSA-N 1 0 276.380 2.039 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])NCC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000262159154 330000949 /nfs/dbraw/zinc/00/09/49/330000949.db2.gz NWWLCYLMCNXVJS-JHJVBQTASA-N 1 0 267.417 2.237 10 30 CEEERO COc1ccccc1[C@@]1(C)C[C@@H]1NC(=[NH2+])N(C)C1CC1 ZINC000262281976 330003624 /nfs/dbraw/zinc/00/36/24/330003624.db2.gz VUAXUMGSJSMIHO-GOEBONIOSA-N 1 0 273.380 2.134 10 30 CEEERO Cc1sc(CNC(=[NH2+])NC[C@H]2CCCO2)nc1C(C)C ZINC000262315917 330005774 /nfs/dbraw/zinc/00/57/74/330005774.db2.gz PGMFVQVACVYOBD-LLVKDONJSA-N 1 0 296.440 2.158 10 30 CEEERO C=CCNC(=[NH2+])N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262344337 330007156 /nfs/dbraw/zinc/00/71/56/330007156.db2.gz DIVJHZRDVYLPTH-GZMMTYOYSA-N 1 0 267.735 2.425 10 30 CEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])NC1CC1 ZINC000262349351 330007462 /nfs/dbraw/zinc/00/74/62/330007462.db2.gz IFTAGUMXCDHAIE-UHFFFAOYSA-N 1 0 256.353 2.053 10 30 CEEERO CN1CC[NH+]=C1N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262478474 330016441 /nfs/dbraw/zinc/01/64/41/330016441.db2.gz COJZMOPMLORISX-GZMMTYOYSA-N 1 0 267.735 2.226 10 30 CEEERO [NH2+]=C(NCC1(C(F)F)CC1)N[C@H]1CCOc2ccccc21 ZINC000262505209 330018580 /nfs/dbraw/zinc/01/85/80/330018580.db2.gz ZPRRHWNJCXOWCD-NSHDSACASA-N 1 0 295.333 2.460 10 30 CEEERO CC(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262522206 330022783 /nfs/dbraw/zinc/02/27/83/330022783.db2.gz JDSWJLCDLCULMS-MCIONIFRSA-N 1 0 267.417 2.094 10 30 CEEERO C[NH+]=C(NC[C@@H](O)c1ccc(Cl)s1)N1CCCC1 ZINC000262662509 330025074 /nfs/dbraw/zinc/02/50/74/330025074.db2.gz MEZBGBYDJJKGPD-SECBINFHSA-N 1 0 287.816 2.106 10 30 CEEERO CCc1nc(CNC(N[C@@H]2CCC[C@H]2C#N)=[NH+]C)cs1 ZINC000262768718 330030330 /nfs/dbraw/zinc/03/03/30/330030330.db2.gz GZSPSKTVTJNFOW-CMPLNLGQSA-N 1 0 291.424 2.063 10 30 CEEERO CC[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H](C)C(C)C ZINC000262824471 330034273 /nfs/dbraw/zinc/03/42/73/330034273.db2.gz XVEMJMSAHNZWER-JSGCOSHPSA-N 1 0 255.406 2.013 10 30 CEEERO C=C(Br)CN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000246258927 334247279 /nfs/dbraw/zinc/24/72/79/334247279.db2.gz KSPHWPZHJHIPGN-NEPJUHHUSA-N 1 0 273.218 2.454 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000068611607 519735566 /nfs/dbraw/zinc/73/55/66/519735566.db2.gz SROOTCAULUTQDS-GDBMZVCRSA-N 1 0 280.460 2.071 10 30 CEEERO CC[NH2+][C@@H](C)CC(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000061270610 520065789 /nfs/dbraw/zinc/06/57/89/520065789.db2.gz WYYCMQXVANDEDE-RYUDHWBXSA-N 1 0 259.353 2.124 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[NH+](CC(C)C)CC1 ZINC000068615083 520102490 /nfs/dbraw/zinc/10/24/90/520102490.db2.gz BJQKNWQXKGKTLR-IRXDYDNUSA-N 1 0 294.487 2.320 10 30 CEEERO CCCN(CC[NH+](C)C)[C@H](C)C[C@@](C)(C#N)NC(C)C ZINC000068613931 521657394 /nfs/dbraw/zinc/65/73/94/521657394.db2.gz GZLQEPZKDMATMT-CVEARBPZSA-N 1 0 282.476 2.319 10 30 CEEERO C#CC(C)(C)[NH2+]C[C@@H](O)CO[C@H](C)c1ccccc1 ZINC000070119313 518238388 /nfs/dbraw/zinc/23/83/88/518238388.db2.gz NLCHEVWBBBUIRM-UKRRQHHQSA-N 1 0 261.365 2.127 10 30 CEEERO C#CCC[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000070246487 518252012 /nfs/dbraw/zinc/25/20/12/518252012.db2.gz ZKQBGFQQLYWNRY-LBPRGKRZSA-N 1 0 257.255 2.352 10 30 CEEERO CC(C)[NH+](CCNCc1cccnc1C#N)C(C)C ZINC000061656835 519647956 /nfs/dbraw/zinc/64/79/56/519647956.db2.gz GIHAFBZZESCDNH-UHFFFAOYSA-N 1 0 260.385 2.162 10 30 CEEERO CC(C)c1nccn1Cc1cccc(C#CC[NH3+])c1 ZINC000049610136 519880169 /nfs/dbraw/zinc/88/01/69/519880169.db2.gz RGBGCEDNXDBTJF-UHFFFAOYSA-N 1 0 253.349 2.365 10 30 CEEERO CC[NH2+]CCC(=O)N(CC)Cc1ccc(C#N)cc1F ZINC000061295478 519915157 /nfs/dbraw/zinc/91/51/57/519915157.db2.gz KJSLXMDEZLWNLE-UHFFFAOYSA-N 1 0 277.343 2.045 10 30 CEEERO CC(C)n1cc(NC(=O)c2ccccc2C#CC[NH3+])cn1 ZINC000061684439 519966211 /nfs/dbraw/zinc/96/62/11/519966211.db2.gz YKGVPNIYIMZWLZ-UHFFFAOYSA-N 1 0 282.347 2.027 10 30 CEEERO CCCN[C@@](C#N)(CN1CC[NH+](C(C)(C)C)CC1)C1CC1 ZINC000069080496 520029755 /nfs/dbraw/zinc/02/97/55/520029755.db2.gz WAYIIEPJPUFQNR-KRWDZBQOSA-N 1 0 292.471 2.074 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068615952 520030860 /nfs/dbraw/zinc/03/08/60/520030860.db2.gz LIFRNBUQBZURHN-IXDOHACOSA-N 1 0 292.471 2.217 10 30 CEEERO CCC[C@@H](C#N)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000062034100 520571746 /nfs/dbraw/zinc/57/17/46/520571746.db2.gz IFEPEFVIPGEEFF-HNNXBMFYSA-N 1 0 277.412 2.261 10 30 CEEERO CCCCNC(=O)N[C@@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587463 520640990 /nfs/dbraw/zinc/64/09/90/520640990.db2.gz CUURZEYLWBOFNG-ZDUSSCGKSA-N 1 0 273.380 2.157 10 30 CEEERO Cc1cnc(NC(=O)N2CCC([NH+]3CCCCC3)CC2)o1 ZINC000330030134 534567487 /nfs/dbraw/zinc/56/74/87/534567487.db2.gz RCUIKBZFOBAOPP-UHFFFAOYSA-N 1 0 292.383 2.479 10 30 CEEERO C[NH+](C)C[C@@H]1CCCN1CCOc1ccc(CC#N)cc1 ZINC000061644217 521839001 /nfs/dbraw/zinc/83/90/01/521839001.db2.gz RNGCGRHBURTTAD-INIZCTEOSA-N 1 0 287.407 2.157 10 30 CEEERO CC[C@H](C)[C@H](C)NC(=O)c1ccc(C#CC[NH3+])cc1F ZINC000049105847 521934040 /nfs/dbraw/zinc/93/40/40/521934040.db2.gz RIKVLAQMRXQGFH-RYUDHWBXSA-N 1 0 276.355 2.300 10 30 CEEERO CC[C@@H]([NH3+])Cc1nccn1Cc1ccccc1C#N ZINC000062803020 522646405 /nfs/dbraw/zinc/64/64/05/522646405.db2.gz YVNOFSYDSFRBOM-CQSZACIVSA-N 1 0 254.337 2.083 10 30 CEEERO COCC[N@H+](C)CCNc1cccc(Cl)c1C#N ZINC000061379462 523615899 /nfs/dbraw/zinc/61/58/99/523615899.db2.gz ZLNFXJXAIVCBAB-UHFFFAOYSA-N 1 0 267.760 2.202 10 30 CEEERO COCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OCCCC#N ZINC000062732128 523950656 /nfs/dbraw/zinc/95/06/56/523950656.db2.gz RQPXWUSXGUBSCM-UHFFFAOYSA-N 1 0 293.323 2.013 10 30 CEEERO CSC[C@H](C)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000069447951 525680665 /nfs/dbraw/zinc/68/06/65/525680665.db2.gz SRQHOSINSCTERR-BXUZGUMPSA-N 1 0 264.394 2.180 10 30 CEEERO Cc1ccc(C(=O)N[C@H](C)c2ccc(C#CC[NH3+])cc2)o1 ZINC000049586692 526210418 /nfs/dbraw/zinc/21/04/18/526210418.db2.gz GLHLWWCQLCAAAY-CYBMUJFWSA-N 1 0 282.343 2.389 10 30 CEEERO N#Cc1cc(OC[C@H]2CCC[NH2+]2)nc2ccccc12 ZINC000068771617 526575387 /nfs/dbraw/zinc/57/53/87/526575387.db2.gz CCTSFFVUVVDMFY-GFCCVEGCSA-N 1 0 253.305 2.237 10 30 CEEERO N#Cc1ccc(-c2nnc(CCC[NH2+]C3CC3)o2)cc1 ZINC000050617749 526584437 /nfs/dbraw/zinc/58/44/37/526584437.db2.gz GMQOTJZZZUVFCA-UHFFFAOYSA-N 1 0 268.320 2.293 10 30 CEEERO N#Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)c(F)c1 ZINC000052759562 526613872 /nfs/dbraw/zinc/61/38/72/526613872.db2.gz WNSANQANSFWLFL-AWEZNQCLSA-N 1 0 262.328 2.434 10 30 CEEERO N#Cc1ccc(NC(=O)N[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063212769 526656227 /nfs/dbraw/zinc/65/62/27/526656227.db2.gz VAOGYYWSRCPECB-KGLIPLIRSA-N 1 0 272.352 2.340 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000061610870 526656607 /nfs/dbraw/zinc/65/66/07/526656607.db2.gz RZAJSTPLGSJNQU-HNNXBMFYSA-N 1 0 265.316 2.239 10 30 CEEERO N#Cc1ncccc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000061664364 526789737 /nfs/dbraw/zinc/78/97/37/526789737.db2.gz RZBJNJFGQBAFBD-UHFFFAOYSA-N 1 0 284.407 2.404 10 30 CEEERO [NH3+]CC#Cc1cc(CSc2nncs2)ccc1F ZINC000049611427 527146981 /nfs/dbraw/zinc/14/69/81/527146981.db2.gz KBQMHKYNUHAZDV-UHFFFAOYSA-N 1 0 279.365 2.280 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1CSc1ncccn1 ZINC000049611452 527148625 /nfs/dbraw/zinc/14/86/25/527148625.db2.gz HSISCRNYCFWCJW-UHFFFAOYSA-N 1 0 273.336 2.218 10 30 CEEERO [NH3+]CC#Cc1ccccc1CNC(=O)CC1CCCC1 ZINC000049586405 527154849 /nfs/dbraw/zinc/15/48/49/527154849.db2.gz BDWJALLFDNKKHA-UHFFFAOYSA-N 1 0 270.376 2.193 10 30 CEEERO OCCC#Cc1cc(C[N@@H+]2CCCSCC2)ccc1F ZINC000049615049 527530286 /nfs/dbraw/zinc/53/02/86/527530286.db2.gz GEPNQSNGHNZZRT-UHFFFAOYSA-N 1 0 293.407 2.499 10 30 CEEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000061891693 628921031 /nfs/dbraw/zinc/92/10/31/628921031.db2.gz HCSVEGXHCJADDE-RDJZCZTQSA-N 1 0 285.391 2.305 10 30 CEEERO [NH2+]=C(NC[C@@H](O)c1cccc(Cl)c1)NC1CCCC1 ZINC000261727298 629159974 /nfs/dbraw/zinc/15/99/74/629159974.db2.gz GSFDPRBWFIKVFT-CYBMUJFWSA-N 1 0 281.787 2.220 10 30 CEEERO CCCCCCC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000173451017 639857476 /nfs/dbraw/zinc/85/74/76/639857476.db2.gz GKFZAJUOPKMPAT-HNNXBMFYSA-N 1 0 256.434 2.345 10 30 CEEERO N#Cc1cc(F)c(N2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000133688952 652704599 /nfs/dbraw/zinc/70/45/99/652704599.db2.gz RHNMIQVAGNLYJD-JTQLQIEISA-N 1 0 265.307 2.402 10 30 CEEERO C#CC[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000034992256 361803068 /nfs/dbraw/zinc/80/30/68/361803068.db2.gz FBCGLOJTHQYRJT-UHFFFAOYSA-N 1 0 254.127 2.181 10 30 CEEERO C[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1ccc(C#N)cc1 ZINC000037749536 361928667 /nfs/dbraw/zinc/92/86/67/361928667.db2.gz VYQFRGVGQFCSTJ-DOMZBBRYSA-N 1 0 276.380 2.385 10 30 CEEERO C#CC1(O)CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000003601020 343352191 /nfs/dbraw/zinc/35/21/91/343352191.db2.gz ZEGXFGQSFILBAM-INIZCTEOSA-N 1 0 255.361 2.004 10 30 CEEERO C#CC[NH2+]Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000045945314 362171130 /nfs/dbraw/zinc/17/11/30/362171130.db2.gz FHSMNXXAZAIHGK-UHFFFAOYSA-N 1 0 253.729 2.470 10 30 CEEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000044493231 343472595 /nfs/dbraw/zinc/47/25/95/343472595.db2.gz VAPCIIHPTQDKEB-NSHDSACASA-N 1 0 260.297 2.020 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209509687 344530613 /nfs/dbraw/zinc/53/06/13/344530613.db2.gz FDKBDVAGKOBULA-RNCFNFMXSA-N 1 0 281.281 2.375 10 30 CEEERO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C ZINC000307249481 344721413 /nfs/dbraw/zinc/72/14/13/344721413.db2.gz JRFYFSRUJLMMQX-VIFPVBQESA-N 1 0 262.781 2.489 10 30 CEEERO C[C@H]([NH3+])COc1ccc(Br)cc1C#N ZINC000306254219 344712413 /nfs/dbraw/zinc/71/24/13/344712413.db2.gz WEWTYUHYLOKQIS-ZETCQYMHSA-N 1 0 255.115 2.047 10 30 CEEERO N#Cc1cccc(NCCC2(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000404513395 344880944 /nfs/dbraw/zinc/88/09/44/344880944.db2.gz HBBGFUMHKLNFSK-UHFFFAOYSA-N 1 0 260.297 2.007 10 30 CEEERO C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085361727 179033549 /nfs/dbraw/zinc/03/35/49/179033549.db2.gz CUSWBZVSVMUONM-CQDKDKBSSA-N 1 0 271.364 2.253 10 30 CEEERO N#CCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000085370783 179040872 /nfs/dbraw/zinc/04/08/72/179040872.db2.gz UHTIDZCSANKLBH-UONOGXRCSA-N 1 0 273.336 2.045 10 30 CEEERO Cc1ccc(CN2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1C#N ZINC000599338698 346501538 /nfs/dbraw/zinc/50/15/38/346501538.db2.gz VRRVBAPXJPGPDE-CZUORRHYSA-N 1 0 257.381 2.249 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000110651816 136558220 /nfs/dbraw/zinc/55/82/20/136558220.db2.gz HCZZMUCDXKEEDS-JTQLQIEISA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1cc2c(nc1N1CCCCC[C@H]([NH3+])C1)CCC2 ZINC000600958528 346717997 /nfs/dbraw/zinc/71/79/97/346717997.db2.gz HMAMLEXQQQJMEZ-AWEZNQCLSA-N 1 0 270.380 2.150 10 30 CEEERO C#CCOc1ccccc1C[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000128488268 187373612 /nfs/dbraw/zinc/37/36/12/187373612.db2.gz BFILZZBRHVNZDA-OAHLLOKOSA-N 1 0 295.386 2.422 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000127851231 136709701 /nfs/dbraw/zinc/70/97/01/136709701.db2.gz IJIFTLVFLJICET-JTQLQIEISA-N 1 0 274.324 2.030 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1c1c(C#N)nnc2ccccc21 ZINC000085920853 179200463 /nfs/dbraw/zinc/20/04/63/179200463.db2.gz HKLRHPWCIVPFGY-LBPRGKRZSA-N 1 0 281.363 2.080 10 30 CEEERO N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000085984779 179211287 /nfs/dbraw/zinc/21/12/87/179211287.db2.gz NAKLPZZGEVMZCQ-DOMZBBRYSA-N 1 0 262.328 2.338 10 30 CEEERO Cc1n[nH]cc1C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037302 179221572 /nfs/dbraw/zinc/22/15/72/179221572.db2.gz ORZOOTOLGASBNB-UHFFFAOYSA-N 1 0 266.348 2.432 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+]Cc2cn[nH]c2)C1 ZINC000086037297 179221728 /nfs/dbraw/zinc/22/17/28/179221728.db2.gz WSLOQEWXJYIEDN-UHFFFAOYSA-N 1 0 252.321 2.123 10 30 CEEERO CC[NH+](CC)C[C@@H](O)CNc1cc(Cl)ccc1C#N ZINC000086114841 179234357 /nfs/dbraw/zinc/23/43/57/179234357.db2.gz DJEZPFXODOQADP-ZDUSSCGKSA-N 1 0 281.787 2.326 10 30 CEEERO C#CCN1C[C@@](C)(c2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000086222883 179250610 /nfs/dbraw/zinc/25/06/10/179250610.db2.gz WQKLJSDOSNPORT-SJORKVTESA-N 1 0 256.393 2.465 10 30 CEEERO CC[C@H]1CN(C(=O)c2cccc(C#N)c2)[C@@H](CC)C[NH2+]1 ZINC000086446698 179295490 /nfs/dbraw/zinc/29/54/90/179295490.db2.gz UKAIUXQPWIMYTO-GJZGRUSLSA-N 1 0 271.364 2.161 10 30 CEEERO CC[C@H]1CN(CCOc2ccc(C#N)cc2)[C@@H](CC)C[NH2+]1 ZINC000086463697 179296301 /nfs/dbraw/zinc/29/63/01/179296301.db2.gz YYHAKLJCEFAHHX-HOTGVXAUSA-N 1 0 287.407 2.399 10 30 CEEERO N#Cc1ncccc1C[NH2+]CC1(O)CCCCCC1 ZINC000087089333 179393476 /nfs/dbraw/zinc/39/34/76/179393476.db2.gz PNRKHEIQZFCBEN-UHFFFAOYSA-N 1 0 259.353 2.128 10 30 CEEERO C[C@H]([NH3+])CCC[C@H](C)C(=O)NCc1ccc(C#N)cc1 ZINC000087694810 179471539 /nfs/dbraw/zinc/47/15/39/179471539.db2.gz NLUCWQWAJFTOMC-STQMWFEESA-N 1 0 273.380 2.328 10 30 CEEERO Cc1cc(C#N)cc(C)c1O[C@H](c1cnn(C)c1)[C@@H](C)[NH3+] ZINC000088153601 179558432 /nfs/dbraw/zinc/55/84/32/179558432.db2.gz PCVDRJMOXWRDHZ-WBMJQRKESA-N 1 0 284.363 2.376 10 30 CEEERO C=CC[NH2+]CCN(C)[C@@H](C)Cc1ccccc1OC ZINC000088243159 179569160 /nfs/dbraw/zinc/56/91/60/179569160.db2.gz JJCACVIZBFIFNQ-AWEZNQCLSA-N 1 0 262.397 2.334 10 30 CEEERO N#Cc1cccc(C(=O)N2CC[NH2+]CC23CCCCC3)c1 ZINC000088396103 179591264 /nfs/dbraw/zinc/59/12/64/179591264.db2.gz TZBJOSDVAXLKKJ-UHFFFAOYSA-N 1 0 283.375 2.307 10 30 CEEERO N#Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000089386451 179777423 /nfs/dbraw/zinc/77/74/23/179777423.db2.gz PCEUCOFVILDUEK-GXTWGEPZSA-N 1 0 257.337 2.262 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089386561 179777442 /nfs/dbraw/zinc/77/74/42/179777442.db2.gz PCLUBHSLLNXUNR-JSGCOSHPSA-N 1 0 257.337 2.262 10 30 CEEERO N#Cc1ccc(Cn2cc(CC[NH3+])c3cccnc32)cc1 ZINC000091021351 180088925 /nfs/dbraw/zinc/08/89/25/180088925.db2.gz GLRKBCDRUAZEGR-UHFFFAOYSA-N 1 0 276.343 2.457 10 30 CEEERO CC[C@@H]([NH3+])[C@@](O)(c1cc(F)cc(C#N)c1)C(F)(F)F ZINC000091332088 180135918 /nfs/dbraw/zinc/13/59/18/180135918.db2.gz FPOGQEZJUCATSL-MNOVXSKESA-N 1 0 276.233 2.185 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091428856 180153038 /nfs/dbraw/zinc/15/30/38/180153038.db2.gz SBUOBAUXFAFAOA-JYJNAYRXSA-N 1 0 280.460 2.073 10 30 CEEERO C[NH+](C)[C@H]1CCCN(CCCC[C@](C)(C#N)NC2CC2)C1 ZINC000091450152 180157873 /nfs/dbraw/zinc/15/78/73/180157873.db2.gz NPWZXPHDUAAHKR-DLBZAZTESA-N 1 0 292.471 2.217 10 30 CEEERO CSc1ccc(NC(=O)c2ccncc2C#CC[NH3+])cc1 ZINC000091460861 180161886 /nfs/dbraw/zinc/16/18/86/180161886.db2.gz KLSFSLWMJMDXQL-UHFFFAOYSA-N 1 0 297.383 2.366 10 30 CEEERO CSC1(C#N)CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000091473640 180165569 /nfs/dbraw/zinc/16/55/69/180165569.db2.gz VXMQWUFWTLXNBA-LBPRGKRZSA-N 1 0 254.399 2.277 10 30 CEEERO CC[NH+](CC)CCN1CCC(C#N)(SC)CC1 ZINC000091475461 180166257 /nfs/dbraw/zinc/16/62/57/180166257.db2.gz SXWSOLIXZTXILH-UHFFFAOYSA-N 1 0 255.431 2.049 10 30 CEEERO CCN(CC)C(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000091962389 180293354 /nfs/dbraw/zinc/29/33/54/180293354.db2.gz HCZIKNMCICGXAZ-CYBMUJFWSA-N 1 0 273.380 2.109 10 30 CEEERO C[N@@H+]1CCC[C@@](O)(C2(C#N)Cc3ccccc3C2)CC1 ZINC000091888256 180280488 /nfs/dbraw/zinc/28/04/88/180280488.db2.gz APTXCDMVTYSYCW-KRWDZBQOSA-N 1 0 270.376 2.142 10 30 CEEERO Cc1ccc(OCC2(CC#N)CC2)c(C[C@H](C)[NH3+])n1 ZINC000092000343 180303999 /nfs/dbraw/zinc/30/39/99/180303999.db2.gz XRLNRXMMGUKAMV-NSHDSACASA-N 1 0 259.353 2.352 10 30 CEEERO C#CCOc1ccccc1CNC[C@@H](C)[NH+]1CCCC1 ZINC000092022540 180307413 /nfs/dbraw/zinc/30/74/13/180307413.db2.gz SBVLZHMRHHDOHX-OAHLLOKOSA-N 1 0 272.392 2.273 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000092473784 180392764 /nfs/dbraw/zinc/39/27/64/180392764.db2.gz MHMOGSVGRJDXTQ-UHFFFAOYSA-N 1 0 257.337 2.202 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H](C)c1ccccc1OC(C)C ZINC000092474306 180393680 /nfs/dbraw/zinc/39/36/80/180393680.db2.gz QNXHXKLKLRADEF-CYBMUJFWSA-N 1 0 276.380 2.427 10 30 CEEERO C=CC[NH2+]CC(=O)N(Cc1ccsc1)C1CC1 ZINC000092475349 180393969 /nfs/dbraw/zinc/39/39/69/180393969.db2.gz PVUPMZJEWHCHQU-UHFFFAOYSA-N 1 0 250.367 2.015 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000092474028 180394094 /nfs/dbraw/zinc/39/40/94/180394094.db2.gz LHKAMADTXOEECZ-BFHYXJOUSA-N 1 0 252.402 2.339 10 30 CEEERO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c(F)c1 ZINC000107918784 186197375 /nfs/dbraw/zinc/19/73/75/186197375.db2.gz KFRCNTFNDXRMNM-PBWFPOADSA-N 1 0 260.312 2.185 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2F)CC1 ZINC000110817776 186327830 /nfs/dbraw/zinc/32/78/30/186327830.db2.gz ZQBQVNIBOGKOFD-CYBMUJFWSA-N 1 0 288.366 2.398 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@@H+]1CCN(C)[C@@H](CC)C1 ZINC000110737327 186318483 /nfs/dbraw/zinc/31/84/83/186318483.db2.gz OAQIPONLFQIXQZ-HOTGVXAUSA-N 1 0 280.460 2.074 10 30 CEEERO CC[N@@H+]1CCN(CCCC[C@@](C)(C#N)NC(C)C)C[C@@H]1C ZINC000110737100 186318568 /nfs/dbraw/zinc/31/85/68/186318568.db2.gz JSBOUCOACOWUQK-IRXDYDNUSA-N 1 0 294.487 2.463 10 30 CEEERO [NH3+]CC#Cc1ccc(CSc2ccncn2)s1 ZINC000111114964 186353842 /nfs/dbraw/zinc/35/38/42/186353842.db2.gz DGMFRUVYKFCJGK-UHFFFAOYSA-N 1 0 261.375 2.141 10 30 CEEERO C[N@@H+](Cc1ccc(F)c(C#CCO)c1)C[C@H]1CCCOC1 ZINC000111168191 186363465 /nfs/dbraw/zinc/36/34/65/186363465.db2.gz DQMZNGHWDWHBAS-OAHLLOKOSA-N 1 0 291.366 2.028 10 30 CEEERO C[N@@H+](Cc1cccc(C#CCCO)c1)CC1CCOCC1 ZINC000111168354 186364438 /nfs/dbraw/zinc/36/44/38/186364438.db2.gz CCYWLKNBGBNHAT-UHFFFAOYSA-N 1 0 287.403 2.279 10 30 CEEERO C[C@@H]1CCC[C@]([NH3+])(c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000111283921 186390272 /nfs/dbraw/zinc/39/02/72/186390272.db2.gz BPZRDTDZMVHQGD-MEBBXXQBSA-N 1 0 283.335 2.367 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000070171234 363044557 /nfs/dbraw/zinc/04/45/57/363044557.db2.gz IQRNUHBPYBCMQX-CYBMUJFWSA-N 1 0 258.369 2.135 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C#N)c(C)n1 ZINC000291773326 198088263 /nfs/dbraw/zinc/08/82/63/198088263.db2.gz BYXBBGSMZFCBEV-CQSZACIVSA-N 1 0 258.369 2.182 10 30 CEEERO C=CCN(CC=C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000152398932 188015419 /nfs/dbraw/zinc/01/54/19/188015419.db2.gz GGXSRFDVKWRUJK-OAHLLOKOSA-N 1 0 279.428 2.490 10 30 CEEERO CC#CCCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000156940166 188288549 /nfs/dbraw/zinc/28/85/49/188288549.db2.gz IBJCUKWUPFYMSO-IUODEOHRSA-N 1 0 265.303 2.486 10 30 CEEERO C[NH2+][C@H]1CCN(c2ccc(Br)cc2C#N)C1 ZINC000161817192 188546529 /nfs/dbraw/zinc/54/65/29/188546529.db2.gz DLQFXEQUFOPEJF-NSHDSACASA-N 1 0 280.169 2.119 10 30 CEEERO C=CCCCN(C)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000132394912 366139934 /nfs/dbraw/zinc/13/99/34/366139934.db2.gz JVHYEUDTBUAPAY-KBPBESRZSA-N 1 0 267.417 2.323 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261587048 283094708 /nfs/dbraw/zinc/09/47/08/283094708.db2.gz UUBCYHMYIZVCOB-ZYHUDNBSSA-N 1 0 261.756 2.257 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000228552842 283170778 /nfs/dbraw/zinc/17/07/78/283170778.db2.gz VVWOLRRINGVJCF-IACUBPJLSA-N 1 0 286.335 2.030 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(OC)c(C#N)c1 ZINC000092628791 364089904 /nfs/dbraw/zinc/08/99/04/364089904.db2.gz JXHCLDPZLQQHNX-MRXNPFEDSA-N 1 0 287.407 2.483 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)CCOc1ccccc1C#N ZINC000092628717 364090133 /nfs/dbraw/zinc/09/01/33/364090133.db2.gz ZQSGYBDOKFYFCI-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)CCOc1cccc(C#N)c1 ZINC000092628642 364090849 /nfs/dbraw/zinc/09/08/49/364090849.db2.gz TWOPDMBKOQEXIU-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO N#Cc1c(Cl)cccc1N1CC[C@@H](N2CCOCC2)C1 ZINC000110259125 364720773 /nfs/dbraw/zinc/72/07/73/364720773.db2.gz UGTPUOACLADDAR-GFCCVEGCSA-N 1 0 291.782 2.123 10 30 CEEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000335588126 212300588 /nfs/dbraw/zinc/30/05/88/212300588.db2.gz FRWSMIQKDPVGDC-GXFFZTMASA-N 1 0 264.756 2.414 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000118895288 365188470 /nfs/dbraw/zinc/18/84/70/365188470.db2.gz YRJVQIWEIFPUJN-WDEREUQCSA-N 1 0 260.297 2.148 10 30 CEEERO C=CCCC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000638866103 370806713 /nfs/dbraw/zinc/80/67/13/370806713.db2.gz NKCYQHMFNTXUPD-CYBMUJFWSA-N 1 0 252.402 2.485 10 30 CEEERO C=CCOc1cccc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)c1 ZINC000171081501 367473753 /nfs/dbraw/zinc/47/37/53/367473753.db2.gz JKDLMHCYPDEWHW-CQSZACIVSA-N 1 0 289.379 2.419 10 30 CEEERO C[NH+](C)C[C@@H](NC(=O)NCCCCC#N)c1ccccc1 ZINC000171416946 367538012 /nfs/dbraw/zinc/53/80/12/367538012.db2.gz UMCCXVZJZMOEPH-OAHLLOKOSA-N 1 0 288.395 2.282 10 30 CEEERO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1 ZINC000183660785 368640615 /nfs/dbraw/zinc/64/06/15/368640615.db2.gz FKIJLHFRXRWDGN-ZBFHGGJFSA-N 1 0 290.407 2.123 10 30 CEEERO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000186992398 369083414 /nfs/dbraw/zinc/08/34/14/369083414.db2.gz KMRPFSUBYRNOLR-OAHLLOKOSA-N 1 0 275.783 2.492 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@@]12CCCc1ccc(OC)cc12 ZINC000093375395 184667895 /nfs/dbraw/zinc/66/78/95/184667895.db2.gz SEENUKLCOHONHF-MRXNPFEDSA-N 1 0 271.364 2.043 10 30 CEEERO N#CC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCCCCC1 ZINC000094460752 184805303 /nfs/dbraw/zinc/80/53/03/184805303.db2.gz YLDNXNVSLHRVTR-CQSZACIVSA-N 1 0 275.396 2.157 10 30 CEEERO N#Cc1ccc(O[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000094593561 184823165 /nfs/dbraw/zinc/82/31/65/184823165.db2.gz NMQGSNPDRZVMIM-RISCZKNCSA-N 1 0 275.308 2.363 10 30 CEEERO CC(C)C[C@@H](C[NH3+])C(=O)Nc1ccc(OCC#N)cc1 ZINC000094699439 184842450 /nfs/dbraw/zinc/84/24/50/184842450.db2.gz HNGYDDNRWZJJSZ-LBPRGKRZSA-N 1 0 275.352 2.148 10 30 CEEERO N#Cc1ccc(N2CCC[C@@H]([NH3+])C2=O)cc1C(F)(F)F ZINC000088191975 135053070 /nfs/dbraw/zinc/05/30/70/135053070.db2.gz BDBOEODALKLZQS-LLVKDONJSA-N 1 0 283.253 2.031 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C)nc(C#N)c1 ZINC000308275024 394526038 /nfs/dbraw/zinc/52/60/38/394526038.db2.gz ZYGAVEIIEABQFT-AWEZNQCLSA-N 1 0 258.369 2.182 10 30 CEEERO C[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2C#N)C1 ZINC000129115636 394858301 /nfs/dbraw/zinc/85/83/01/394858301.db2.gz WLMIMYXMEBVDCG-LLVKDONJSA-N 1 0 269.270 2.375 10 30 CEEERO CC(C)[NH2+]CCCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000515525583 395175765 /nfs/dbraw/zinc/17/57/65/395175765.db2.gz OQXFKPOPXLEIMZ-UHFFFAOYSA-N 1 0 262.313 2.266 10 30 CEEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000186231858 395287324 /nfs/dbraw/zinc/28/73/24/395287324.db2.gz SAGRFEYRJFSJHD-MRXNPFEDSA-N 1 0 295.390 2.370 10 30 CEEERO CCc1nnc(N2CCC[C@@H](CC[NH3+])C2)c(C#N)c1CC ZINC000125500183 400278851 /nfs/dbraw/zinc/27/88/51/400278851.db2.gz BZECNSHHVIVQAY-LBPRGKRZSA-N 1 0 287.411 2.038 10 30 CEEERO CCc1nnc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C#N)c1CC ZINC000262386978 153944966 /nfs/dbraw/zinc/94/49/66/153944966.db2.gz ZJDGIIMPXIXLBN-NILFDRSVSA-N 1 0 299.422 2.037 10 30 CEEERO N#Cc1c(Br)cccc1NC[C@H]([NH3+])C1CC1 ZINC000165084396 162341215 /nfs/dbraw/zinc/34/12/15/162341215.db2.gz GZZUYPFEJFFIML-NSHDSACASA-N 1 0 280.169 2.470 10 30 CEEERO OC[C@@H](C#CC[NH+]1CCCCCC1)NCc1ccccc1 ZINC000005518236 170106955 /nfs/dbraw/zinc/10/69/55/170106955.db2.gz YEQHWIRELCFWLP-GOSISDBHSA-N 1 0 286.419 2.017 10 30 CEEERO C[NH+](C)CCCN[C@@H](C#N)c1cccc(Cl)c1 ZINC000020173938 171041217 /nfs/dbraw/zinc/04/12/17/171041217.db2.gz PQFFWYFYIINCHN-ZDUSSCGKSA-N 1 0 251.761 2.446 10 30 CEEERO N#CCOc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000020441399 171204871 /nfs/dbraw/zinc/20/48/71/171204871.db2.gz UYBIIXAHIKUCJO-HNNXBMFYSA-N 1 0 257.337 2.095 10 30 CEEERO CCCCC(=O)Nc1sc2c(c1C#N)CC[NH2+]C2 ZINC000035248232 172078495 /nfs/dbraw/zinc/07/84/95/172078495.db2.gz SQYIHOCNCUEIIR-UHFFFAOYSA-N 1 0 263.366 2.394 10 30 CEEERO CC[C@H](CC#N)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036984974 172850565 /nfs/dbraw/zinc/85/05/65/172850565.db2.gz DONKKZLPFFVRKQ-MRXNPFEDSA-N 1 0 257.381 2.496 10 30 CEEERO C[NH2+]C[C@H]1CCCN(Cc2ccc(C#N)cc2F)C1 ZINC000040598743 174349610 /nfs/dbraw/zinc/34/96/10/174349610.db2.gz QJRRDUGRKZUZPG-CYBMUJFWSA-N 1 0 261.344 2.129 10 30 CEEERO Cc1c(C[NH2+]C2CC2)cnn1-c1cccc(C#N)c1 ZINC000042355890 174694396 /nfs/dbraw/zinc/69/43/96/174694396.db2.gz GXNPGKNEKONNIY-UHFFFAOYSA-N 1 0 252.321 2.304 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccc(Cl)cc1)N(CC#N)CC#N ZINC000042944629 174920141 /nfs/dbraw/zinc/92/01/41/174920141.db2.gz JQSDJSREWMLDDA-UONOGXRCSA-N 1 0 276.771 2.468 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](c1ccccc1Cl)N(CC#N)CC#N ZINC000043051121 174959140 /nfs/dbraw/zinc/95/91/40/174959140.db2.gz GMRSBCNFFSKYFH-ZIAGYGMSSA-N 1 0 276.771 2.468 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CN(C)CCO1 ZINC000657911401 415122381 /nfs/dbraw/zinc/12/23/81/415122381.db2.gz DRZDGKWQEPNDIC-ILXRZTDVSA-N 1 0 252.402 2.042 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccccn1)N(CCC#N)C1CC1 ZINC000043340906 175014554 /nfs/dbraw/zinc/01/45/54/175014554.db2.gz AARWTELJUDSSQS-UKRRQHHQSA-N 1 0 258.369 2.238 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H](C[NH3+])c1ccccn1 ZINC000043341832 175014986 /nfs/dbraw/zinc/01/49/86/175014986.db2.gz LENPGYZIVRSCOT-HNNXBMFYSA-N 1 0 269.304 2.041 10 30 CEEERO C[C@@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342287 175015835 /nfs/dbraw/zinc/01/58/35/175015835.db2.gz JIOCBXILOXJEQK-ABAIWWIYSA-N 1 0 253.305 2.421 10 30 CEEERO C[C@@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1ccccn1 ZINC000043342291 175015911 /nfs/dbraw/zinc/01/59/11/175015911.db2.gz JIOCBXILOXJEQK-IAQYHMDHSA-N 1 0 253.305 2.421 10 30 CEEERO CC[C@H]([NH3+])[C@@H](c1ccncc1)N(CCC#N)C1CC1 ZINC000043354643 175022660 /nfs/dbraw/zinc/02/26/60/175022660.db2.gz WQFWDZZRGXJHDA-LSDHHAIUSA-N 1 0 258.369 2.238 10 30 CEEERO CCO[C@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043698667 175096661 /nfs/dbraw/zinc/09/66/61/175096661.db2.gz DYTBUOCLYPVJTD-AWEZNQCLSA-N 1 0 279.405 2.093 10 30 CEEERO CCCO[C@H]1CCC[N@H+](Cc2cc(C#CCO)cs2)C1 ZINC000043698663 175096907 /nfs/dbraw/zinc/09/69/07/175096907.db2.gz RHZBOIWEKKQEAB-HNNXBMFYSA-N 1 0 293.432 2.483 10 30 CEEERO CC[N@H+](Cc1cc(C#CCCO)cs1)[C@@H](C)COC ZINC000043698776 175096931 /nfs/dbraw/zinc/09/69/31/175096931.db2.gz GYSBXITVLSTYQI-ZDUSSCGKSA-N 1 0 281.421 2.339 10 30 CEEERO CC[NH+](CC)CCCNC(=O)[C@H](C#N)Cc1ccccc1 ZINC000044811012 175258012 /nfs/dbraw/zinc/25/80/12/175258012.db2.gz SGFZRQYDLYOFHU-INIZCTEOSA-N 1 0 287.407 2.217 10 30 CEEERO CCCN[C@](C)(C#N)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045182597 175325776 /nfs/dbraw/zinc/32/57/76/175325776.db2.gz SQEHZJLEDJXYGC-HOCLYGCPSA-N 1 0 281.444 2.405 10 30 CEEERO CCCN[C@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1C ZINC000045310443 175356210 /nfs/dbraw/zinc/35/62/10/175356210.db2.gz KGXDAJQOXBFTIN-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CC[C@H]1C[N@H+](CCC[C@@](C)(C#N)NC(C)C)CCO1 ZINC000045310742 175356242 /nfs/dbraw/zinc/35/62/42/175356242.db2.gz YJHXUJRNLDPWKH-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](C)C1CCOCC1 ZINC000045311842 175356463 /nfs/dbraw/zinc/35/64/63/175356463.db2.gz PCNJHVKKUBXIFR-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CN1CCC([N@H+](C)CCCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045307925 175356693 /nfs/dbraw/zinc/35/66/93/175356693.db2.gz FMKQTLLYSGNUIF-KRWDZBQOSA-N 1 0 292.471 2.217 10 30 CEEERO CC[N@H+](CCC[C@@](C)(C#N)NC1CC1)[C@@H](C)COC ZINC000045314230 175357084 /nfs/dbraw/zinc/35/70/84/175357084.db2.gz XDACNCQKTPHODC-ZFWWWQNUSA-N 1 0 267.417 2.158 10 30 CEEERO CCN1CCC([N@H+](C)CCCC[C@@](C)(C#N)NC)CC1 ZINC000045317178 175358229 /nfs/dbraw/zinc/35/82/29/175358229.db2.gz MOJKKHLLHDHKTA-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CN[C@](C)(C#N)CCCC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045317441 175358474 /nfs/dbraw/zinc/35/84/74/175358474.db2.gz MMIDRPIBDJNYRX-HOCLYGCPSA-N 1 0 281.444 2.405 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318450 175359033 /nfs/dbraw/zinc/35/90/33/175359033.db2.gz NVHKTEGYTVXCCK-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO CN(C(=O)c1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1 ZINC000070553012 175981619 /nfs/dbraw/zinc/98/16/19/175981619.db2.gz PRFOHZJIPZYNCD-UHFFFAOYSA-N 1 0 279.343 2.336 10 30 CEEERO CN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070576209 175991781 /nfs/dbraw/zinc/99/17/81/175991781.db2.gz XVHLZQMWLDBAMG-CABCVRRESA-N 1 0 271.364 2.034 10 30 CEEERO CC[C@@H]1CC[C@@H](C#N)[C@H](N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000070939524 176013239 /nfs/dbraw/zinc/01/32/39/176013239.db2.gz MQBCYKGXMVGUFS-OWCLPIDISA-N 1 0 293.455 2.093 10 30 CEEERO C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(F)cc1C#CC[NH3+] ZINC000071210973 176083143 /nfs/dbraw/zinc/08/31/43/176083143.db2.gz ZTAZOYZCXFGUEP-ABAIWWIYSA-N 1 0 274.339 2.054 10 30 CEEERO C=CCCOc1cc([N+](=O)[O-])c(C[NH3+])cc1OC ZINC000071274327 176106419 /nfs/dbraw/zinc/10/64/19/176106419.db2.gz VROKJLYWQFGTDM-UHFFFAOYSA-N 1 0 252.270 2.017 10 30 CEEERO Cc1ccc(N2CCCCCC2=O)cc1C#CC[NH3+] ZINC000071278332 176107792 /nfs/dbraw/zinc/10/77/92/176107792.db2.gz CKDVOQWSPVCSDJ-UHFFFAOYSA-N 1 0 256.349 2.212 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]CC ZINC000071403861 176155159 /nfs/dbraw/zinc/15/51/59/176155159.db2.gz ZFHQZEUNQXLVKH-CYBMUJFWSA-N 1 0 276.380 2.174 10 30 CEEERO C#CCOc1ccccc1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000077205603 177233624 /nfs/dbraw/zinc/23/36/24/177233624.db2.gz LQYMENZGOLGWKC-GDBMZVCRSA-N 1 0 273.376 2.339 10 30 CEEERO C[C@@H]1CCC(=O)N(Cc2sccc2C#CC[NH3+])CC1 ZINC000079247528 177456379 /nfs/dbraw/zinc/45/63/79/177456379.db2.gz NLUILKKKFDBTSY-GFCCVEGCSA-N 1 0 276.405 2.207 10 30 CEEERO C[C@@]1(C(=O)Nc2ccc(Cl)c(C#N)c2)CCC[NH2+]1 ZINC000079513962 177511436 /nfs/dbraw/zinc/51/14/36/177511436.db2.gz AKCDZKPOJWOOTC-ZDUSSCGKSA-N 1 0 263.728 2.292 10 30 CEEERO N#Cc1cc(Cl)ccc1N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261561593 274919417 /nfs/dbraw/zinc/91/94/17/274919417.db2.gz FZORRTPEDFAJMZ-ZWKOPEQDSA-N 1 0 261.756 2.385 10 30 CEEERO COC(=O)C1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000305821361 268006252 /nfs/dbraw/zinc/00/62/52/268006252.db2.gz HCXLDKSXGZBWTJ-PYNQCMFNSA-N 1 0 250.342 2.000 10 30 CEEERO CC1(C)CN(c2nc3c(cc2C#N)CCC3)CC[C@@H]1[NH3+] ZINC000261774015 273585307 /nfs/dbraw/zinc/58/53/07/273585307.db2.gz OWZBETKZOPQJSR-AWEZNQCLSA-N 1 0 270.380 2.006 10 30 CEEERO C[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000129142489 273972575 /nfs/dbraw/zinc/97/25/75/273972575.db2.gz DSPHWOFCZQRWQQ-SNVBAGLBSA-N 1 0 269.270 2.375 10 30 CEEERO C[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@@H]1[NH3+] ZINC000229253750 274362032 /nfs/dbraw/zinc/36/20/32/274362032.db2.gz AZIXLVJSWSEGAZ-SKDRFNHKSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1nc(C(F)(F)F)ccc1C#N ZINC000216213441 279947500 /nfs/dbraw/zinc/94/75/00/279947500.db2.gz FZWSSLIKYRVBMK-IUCAKERBSA-N 1 0 284.285 2.146 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1c(C#N)nnc2ccccc21 ZINC000229599661 280045364 /nfs/dbraw/zinc/04/53/64/280045364.db2.gz JFTKYGPMOSNSJP-PWSUYJOCSA-N 1 0 267.336 2.054 10 30 CEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1nc2c(cc1C#N)CCCC2 ZINC000320642087 297497911 /nfs/dbraw/zinc/49/79/11/297497911.db2.gz IGFMMXSIIBLDJC-GHMZBOCLSA-N 1 0 258.369 2.370 10 30 CEEERO Cc1nc(N[C@H](C)C[C@@H](C)[NH3+])c(Cl)cc1C#N ZINC000320777596 297497941 /nfs/dbraw/zinc/49/79/41/297497941.db2.gz ZHCBXQBQVQOYRP-HTQZYQBOSA-N 1 0 252.749 2.453 10 30 CEEERO C=CC[C@@H](CC)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000393854405 329090587 /nfs/dbraw/zinc/09/05/87/329090587.db2.gz YGJJJWKDYXPTHY-CHWSQXEVSA-N 1 0 253.342 2.101 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000382480737 321840593 /nfs/dbraw/zinc/84/05/93/321840593.db2.gz WLZWHAKDSNDXGS-MWLCHTKSSA-N 1 0 260.297 2.006 10 30 CEEERO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000181119202 329226659 /nfs/dbraw/zinc/22/66/59/329226659.db2.gz UOHKPAFKTXWBFI-ZIAGYGMSSA-N 1 0 265.401 2.221 10 30 CEEERO CC[C@@H]1CN(C(N[C@H]2CC2(C)C)=[NH+]C)CCS1 ZINC000262039417 329998727 /nfs/dbraw/zinc/99/87/27/329998727.db2.gz YEHLMWIGHQQQAE-MNOVXSKESA-N 1 0 255.431 2.188 10 30 CEEERO CCN(CC)C(=[NH2+])NCc1nccc2ccccc21 ZINC000262166489 330001102 /nfs/dbraw/zinc/00/11/02/330001102.db2.gz AJOFEAJRUJMMHD-UHFFFAOYSA-N 1 0 256.353 2.391 10 30 CEEERO C=CCNC(=[NH2+])NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000262255290 330002803 /nfs/dbraw/zinc/00/28/03/330002803.db2.gz DZVYHVADVAXALJ-NXEZZACHSA-N 1 0 263.307 2.445 10 30 CEEERO [NH2+]=C(Nc1cc(F)ccc1F)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000262316925 330005749 /nfs/dbraw/zinc/00/57/49/330005749.db2.gz URXWLRAONPWHQE-IRUJWGPZSA-N 1 0 281.306 2.259 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N1CCC2(C1)CCCCC2 ZINC000262787528 330031557 /nfs/dbraw/zinc/03/15/57/330031557.db2.gz MZBCYJFIUKMHBX-GJZGRUSLSA-N 1 0 293.455 2.379 10 30 CEEERO COc1ccc([C@H]2C[C@H](NC(=[NH2+])N3CCC3)C2)cc1F ZINC000263064977 330041673 /nfs/dbraw/zinc/04/16/73/330041673.db2.gz GBHIQCRMDMVGIP-HAQNSBGRSA-N 1 0 277.343 2.101 10 30 CEEERO COc1ccc(NC(=[NH2+])NC[C@@H]2CC23CC3)cc1OC ZINC000263181415 330047679 /nfs/dbraw/zinc/04/76/79/330047679.db2.gz UGGFYJHSJANEEC-JTQLQIEISA-N 1 0 275.352 2.231 10 30 CEEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(F)cc1F ZINC000424065414 330219342 /nfs/dbraw/zinc/21/93/42/330219342.db2.gz LIGUWDHLMQJOKZ-TVQRCGJNSA-N 1 0 281.306 2.163 10 30 CEEERO C=C(Br)CN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000136076934 334145902 /nfs/dbraw/zinc/14/59/02/334145902.db2.gz KSPHWPZHJHIPGN-NWDGAFQWSA-N 1 0 273.218 2.454 10 30 CEEERO CCCN[C@@](C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CN(C)C ZINC000061652802 520031880 /nfs/dbraw/zinc/03/18/80/520031880.db2.gz APGLBWDQALNOST-IAGOWNOFSA-N 1 0 294.487 2.465 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616547 520032066 /nfs/dbraw/zinc/03/20/66/520032066.db2.gz ADRCFBCQAGGMRM-GDBMZVCRSA-N 1 0 281.444 2.405 10 30 CEEERO CCCN[C@@](C)(C#N)CCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070139 520032188 /nfs/dbraw/zinc/03/21/88/520032188.db2.gz YRQNMVZQJXXIQV-DLBZAZTESA-N 1 0 294.487 2.465 10 30 CEEERO CCN[C@](C)(C#N)C[C@H](C)[N@H+](CCN(C)C)CC(C)C ZINC000068612312 520224873 /nfs/dbraw/zinc/22/48/73/520224873.db2.gz WPANXCUWGIYASB-HOTGVXAUSA-N 1 0 282.476 2.176 10 30 CEEERO C#CCCOc1c(C)cc(C[NH2+]CCOC)cc1C ZINC000062728666 518251794 /nfs/dbraw/zinc/25/17/94/518251794.db2.gz DHITXOAKCUCBBD-UHFFFAOYSA-N 1 0 261.365 2.442 10 30 CEEERO C=C(C)COc1cc(OC)ccc1C[NH2+]CCOC ZINC000062733305 518610847 /nfs/dbraw/zinc/61/08/47/518610847.db2.gz KGAQJJWVHIWRDB-UHFFFAOYSA-N 1 0 265.353 2.386 10 30 CEEERO CC(C)[NH2+]C[C@@H]1CCCN(C(=O)C#Cc2ccccc2)C1 ZINC000063137952 519723095 /nfs/dbraw/zinc/72/30/95/519723095.db2.gz SRYRWNUHMGUXFH-KRWDZBQOSA-N 1 0 284.403 2.275 10 30 CEEERO CC(C)C[NH2+]Cc1cc(F)c(-n2cnc(C#N)n2)c(F)c1 ZINC000062739012 519746810 /nfs/dbraw/zinc/74/68/10/519746810.db2.gz GSKATXVZIQHQCF-UHFFFAOYSA-N 1 0 291.305 2.163 10 30 CEEERO CC(C)COC(=O)N[C@H](C)c1cccc(C#CC[NH3+])c1 ZINC000049587454 519750671 /nfs/dbraw/zinc/75/06/71/519750671.db2.gz HJQOVQIFRVXIBF-CYBMUJFWSA-N 1 0 274.364 2.440 10 30 CEEERO CC[NH2+]CCCc1cnn(-c2cccc(C#N)c2)c1 ZINC000054680391 519920560 /nfs/dbraw/zinc/92/05/60/519920560.db2.gz JDJRHJJLEWCLMF-UHFFFAOYSA-N 1 0 254.337 2.286 10 30 CEEERO CCC(C)(C)N(C)C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000069461732 521294737 /nfs/dbraw/zinc/29/47/37/521294737.db2.gz QQRPSNUXIMOPCQ-UHFFFAOYSA-N 1 0 276.355 2.397 10 30 CEEERO CC[N@@H+](Cc1ccc(C#CCO)cc1F)C[C@@H]1CCCO1 ZINC000049613775 521299370 /nfs/dbraw/zinc/29/93/70/521299370.db2.gz INHZKFOUKNFDPV-INIZCTEOSA-N 1 0 291.366 2.170 10 30 CEEERO CC[N@@H+](Cc1ccc(F)c(C#CCO)c1)C[C@@H]1CCCO1 ZINC000049613786 521314782 /nfs/dbraw/zinc/31/47/82/521314782.db2.gz KRISDTRVXSLHPD-INIZCTEOSA-N 1 0 291.366 2.170 10 30 CEEERO CC[N@@H+](Cc1ccc(F)cc1C#CCO)C[C@H]1CCCO1 ZINC000049613784 521315817 /nfs/dbraw/zinc/31/58/17/521315817.db2.gz CGQBJNLFVLNVBI-QGZVFWFLSA-N 1 0 291.366 2.170 10 30 CEEERO CC[N@@H+](Cc1ccc(F)cc1C#CCO)C[C@@H]1CCCO1 ZINC000049613783 521316016 /nfs/dbraw/zinc/31/60/16/521316016.db2.gz CGQBJNLFVLNVBI-KRWDZBQOSA-N 1 0 291.366 2.170 10 30 CEEERO CCCN(Cc1ccnc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000068757704 521691062 /nfs/dbraw/zinc/69/10/62/521691062.db2.gz JNEQAAYLMFGDQJ-FKEKPDDDSA-N 1 0 284.407 2.448 10 30 CEEERO CCCN1C(=O)CCC[C@@H]([NH3+])[C@@H]1c1cccc(C#N)c1 ZINC000070295298 521699180 /nfs/dbraw/zinc/69/91/80/521699180.db2.gz JNZDMUQBONCMDM-ZBFHGGJFSA-N 1 0 271.364 2.349 10 30 CEEERO CC[C@H](C)[C@@H](C)NC(=O)c1ccc(OC)c(C#CC[NH3+])c1 ZINC000049105853 521817687 /nfs/dbraw/zinc/81/76/87/521817687.db2.gz ZKCVSHSRDGJKBJ-QWHCGFSZSA-N 1 0 288.391 2.170 10 30 CEEERO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C#CCCO)s1 ZINC000061652320 521840757 /nfs/dbraw/zinc/84/07/57/521840757.db2.gz YXWYVIJUAIHWQF-AWEZNQCLSA-N 1 0 292.448 2.008 10 30 CEEERO CN(C)C[C@H]1CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000061644200 521867914 /nfs/dbraw/zinc/86/79/14/521867914.db2.gz UIISKMFEBOEBQI-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000061300799 521941255 /nfs/dbraw/zinc/94/12/55/521941255.db2.gz JHVYNZSUNQOTIW-UHFFFAOYSA-N 1 0 251.717 2.148 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000061300681 521941633 /nfs/dbraw/zinc/94/16/33/521941633.db2.gz OQVZUJPULPRUDO-UHFFFAOYSA-N 1 0 259.353 2.424 10 30 CEEERO C[NH2+]C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068771148 522055914 /nfs/dbraw/zinc/05/59/14/522055914.db2.gz ITPWXHGOHMHSAT-LBPRGKRZSA-N 1 0 266.348 2.152 10 30 CEEERO C[NH2+][C@@H](C)c1nnn(-c2cc(C#N)ccc2C)c1C ZINC000050436685 522341056 /nfs/dbraw/zinc/34/10/56/522341056.db2.gz JWQFWBDUAMRGHN-JTQLQIEISA-N 1 0 255.325 2.036 10 30 CEEERO COc1ccc(C#CCCO)cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000049613590 523510604 /nfs/dbraw/zinc/51/06/04/523510604.db2.gz WCDZKRUNIDBIFP-CQSZACIVSA-N 1 0 273.376 2.271 10 30 CEEERO CO[C@@H]1CCC[C@@H](Oc2ccc(F)cc2C#CC[NH3+])C1 ZINC000070338272 523619977 /nfs/dbraw/zinc/61/99/77/523619977.db2.gz KPFXTMGTLLMLGL-HUUCEWRRSA-N 1 0 277.339 2.472 10 30 CEEERO C[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1[NH3+] ZINC000070148144 524524276 /nfs/dbraw/zinc/52/42/76/524524276.db2.gz KSQAPYYYQCKKNY-RISCZKNCSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@@H](NC(=O)Cc1ccsc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586687 525140688 /nfs/dbraw/zinc/14/06/88/525140688.db2.gz NNFBHTFIGRJSJQ-CYBMUJFWSA-N 1 0 298.411 2.478 10 30 CEEERO C[C@]1(C(=O)Nc2sc3c(c2C#N)CCC3)CC[NH2+]C1 ZINC000062900453 525225789 /nfs/dbraw/zinc/22/57/89/525225789.db2.gz NVMBCABUVFDFFS-AWEZNQCLSA-N 1 0 275.377 2.047 10 30 CEEERO N#Cc1cc(NC(=O)[C@@H](C[NH3+])c2ccccc2)ccc1F ZINC000061613344 526568956 /nfs/dbraw/zinc/56/89/56/526568956.db2.gz CDQYYTNYPRRFJR-AWEZNQCLSA-N 1 0 283.306 2.378 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1NC1CCC([NH3+])CC1 ZINC000051694052 526576892 /nfs/dbraw/zinc/57/68/92/526576892.db2.gz APYNEIXLEKVICI-UHFFFAOYSA-N 1 0 260.297 2.148 10 30 CEEERO N#Cc1ccc(F)cc1CN1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000069402084 526640508 /nfs/dbraw/zinc/64/05/08/526640508.db2.gz KXXINPRYZUTAPH-JKSUJKDBSA-N 1 0 273.355 2.414 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000058425916 526656503 /nfs/dbraw/zinc/65/65/03/526656503.db2.gz BPHVFRKURAOKME-AWEZNQCLSA-N 1 0 251.289 2.197 10 30 CEEERO CC(C)(CNC(=O)Cc1cncnc1)[NH+]1CCCCC1 ZINC000330308444 526947193 /nfs/dbraw/zinc/94/71/93/526947193.db2.gz STVHXWGPMPMKOB-UHFFFAOYSA-N 1 0 276.384 2.240 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(N2C(=O)CCCCC2=O)c1 ZINC000061692171 527149862 /nfs/dbraw/zinc/14/98/62/527149862.db2.gz SBAIKZDJMIYLIC-UHFFFAOYSA-N 1 0 290.750 2.084 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(N2CCCCC2=O)c1 ZINC000061692176 527150025 /nfs/dbraw/zinc/15/00/25/527150025.db2.gz YVWYJVASQVJHJO-UHFFFAOYSA-N 1 0 262.740 2.167 10 30 CEEERO [NH3+]CC#Cc1ccc(Cn2ncc3ccccc32)cc1 ZINC000050527407 527150240 /nfs/dbraw/zinc/15/02/40/527150240.db2.gz ZUYRWYFTAKERQW-UHFFFAOYSA-N 1 0 261.328 2.395 10 30 CEEERO [NH3+]CC#Cc1ccccc1C(=O)N1Cc2ccccc2C1 ZINC000050913631 527153462 /nfs/dbraw/zinc/15/34/62/527153462.db2.gz NLHVOYMFSQWGMU-UHFFFAOYSA-N 1 0 276.339 2.153 10 30 CEEERO [NH3+]CC#Cc1ccccc1Cn1ncc2ccccc21 ZINC000050527404 527154455 /nfs/dbraw/zinc/15/44/55/527154455.db2.gz FQPLTMBPQCISGH-UHFFFAOYSA-N 1 0 261.328 2.395 10 30 CEEERO N#Cc1sc(N[C@@H]2CCC[C@H]2C[NH3+])nc1Cl ZINC000236221059 625613564 /nfs/dbraw/zinc/61/35/64/625613564.db2.gz HWUHSLJPLOAQJV-NKWVEPMBSA-N 1 0 256.762 2.207 10 30 CEEERO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(Br)cc1C#N ZINC000261575154 623335210 /nfs/dbraw/zinc/33/52/10/623335210.db2.gz JQBQBYQNAHEYSJ-KCJUWKMLSA-N 1 0 280.169 2.247 10 30 CEEERO C[C@]1(CNc2nc(Cl)c(C#N)s2)CCC[NH2+]C1 ZINC000235739562 625729541 /nfs/dbraw/zinc/72/95/41/625729541.db2.gz WQESOFPYLPEANK-NSHDSACASA-N 1 0 270.789 2.470 10 30 CEEERO COC[C@]1(CNc2ccc(C#N)c(Cl)c2)CCC[NH2+]1 ZINC000261594408 628942108 /nfs/dbraw/zinc/94/21/08/628942108.db2.gz NOZGBTZOYMALEG-CQSZACIVSA-N 1 0 279.771 2.392 10 30 CEEERO CCCN(c1ccc(C#N)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000094592227 632244527 /nfs/dbraw/zinc/24/45/27/632244527.db2.gz UJVZRXQSUWHULC-CYBMUJFWSA-N 1 0 274.324 2.045 10 30 CEEERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1[NH2+]CCC#N ZINC000089147987 640090491 /nfs/dbraw/zinc/09/04/91/640090491.db2.gz QCRQHVYBQYANRS-VXGBXAGGSA-N 1 0 267.373 2.183 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1cc(C#N)c2ccccc2n1 ZINC000216209458 652969692 /nfs/dbraw/zinc/96/96/92/652969692.db2.gz KYVCNHRPUWIBTD-VXGBXAGGSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@@H]1C[C@H](C[NH3+])CN1c1nc(C(F)(F)F)ccc1C#N ZINC000216213321 652969730 /nfs/dbraw/zinc/96/97/30/652969730.db2.gz FZWSSLIKYRVBMK-RKDXNWHRSA-N 1 0 284.285 2.146 10 30 CEEERO C=C[C@H]([NH3+])c1cccc(I)c1 ZINC000095766838 185027467 /nfs/dbraw/zinc/02/74/67/185027467.db2.gz QJDONQJSMNYLMF-VIFPVBQESA-N 1 0 259.090 2.477 10 30 CEEERO C#CCOC[C@@H](O)C[N@H+](Cc1ccccc1)[C@H](C)CC ZINC000036096909 361827077 /nfs/dbraw/zinc/82/70/77/361827077.db2.gz YOFXFUDXVLTNBV-WBVHZDCISA-N 1 0 275.392 2.298 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000040447371 361994885 /nfs/dbraw/zinc/99/48/85/361994885.db2.gz JXQHYWXZUUHXCJ-VXGBXAGGSA-N 1 0 292.379 2.045 10 30 CEEERO N#Cc1cc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000131789066 344360355 /nfs/dbraw/zinc/36/03/55/344360355.db2.gz MFOPDXMSBIWEFU-LBPRGKRZSA-N 1 0 260.297 2.020 10 30 CEEERO CC[C@@H]1CN(c2c(F)cc(C#N)cc2F)CC[C@@H]1[NH3+] ZINC000122994413 344308496 /nfs/dbraw/zinc/30/84/96/344308496.db2.gz CWMVCYKUHMNEKS-MFKMUULPSA-N 1 0 265.307 2.400 10 30 CEEERO N#Cc1cccc(N2CCc3ccccc3[C@H]2C[NH3+])n1 ZINC000227724703 344556362 /nfs/dbraw/zinc/55/63/62/344556362.db2.gz OONHXIHOWSSYOT-OAHLLOKOSA-N 1 0 264.332 2.016 10 30 CEEERO C[N@H+]1CC=C(CNC(=O)c2ncoc2[C@@H]2CCCO2)CC1 ZINC000329216486 530047134 /nfs/dbraw/zinc/04/71/34/530047134.db2.gz ONSCFJYSQLSGAP-LBPRGKRZSA-N 1 0 291.351 2.093 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000127269993 187293061 /nfs/dbraw/zinc/29/30/61/187293061.db2.gz GNSZEJIFJGETRL-SCZZXKLOSA-N 1 0 251.280 2.010 10 30 CEEERO C[C@H](c1ccccc1)[C@H]([NH3+])CC(=O)N1CCC[C@H]1C#N ZINC000584629483 344969305 /nfs/dbraw/zinc/96/93/05/344969305.db2.gz TXWNWQCDGRBOSR-VHDGCEQUSA-N 1 0 271.364 2.022 10 30 CEEERO N#Cc1ccc(NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594694421 345673968 /nfs/dbraw/zinc/67/39/68/345673968.db2.gz PDHOEMJXWLJZAQ-UHFFFAOYSA-N 1 0 260.297 2.150 10 30 CEEERO C#CCCC[C@H](NN)C1([NH+]2CCCCC2)CCCC1 ZINC000097588648 185633724 /nfs/dbraw/zinc/63/37/24/185633724.db2.gz FJMYLXMVWPHZEM-HNNXBMFYSA-N 1 0 263.429 2.421 10 30 CEEERO C=CCN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])C1CCCC1 ZINC000085368883 179038480 /nfs/dbraw/zinc/03/84/80/179038480.db2.gz OGQOEXWSKGTENS-KBPBESRZSA-N 1 0 250.386 2.461 10 30 CEEERO N#CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC000085369800 179039514 /nfs/dbraw/zinc/03/95/14/179039514.db2.gz JOEABTKQFRETRJ-HUUCEWRRSA-N 1 0 271.364 2.056 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@H]2CCC[C@@H]2[NH3+])c1 ZINC000085365854 179036607 /nfs/dbraw/zinc/03/66/07/179036607.db2.gz YPXAJSDWVJJWEH-GJZGRUSLSA-N 1 0 287.363 2.435 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C[NH2+]1 ZINC000600956024 346717467 /nfs/dbraw/zinc/71/74/67/346717467.db2.gz UUCBQLBUVNZEKY-MWLCHTKSSA-N 1 0 260.297 2.019 10 30 CEEERO N#Cc1ccc(N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000600958992 346718417 /nfs/dbraw/zinc/71/84/17/346718417.db2.gz OXSUBSOXULUOTE-GFCCVEGCSA-N 1 0 274.324 2.174 10 30 CEEERO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc(C#N)cc1Br ZINC000600962914 346720468 /nfs/dbraw/zinc/72/04/68/346720468.db2.gz PDYRDWBXKGQYSN-PSASIEDQSA-N 1 0 280.169 2.247 10 30 CEEERO CC(C)[N@@H+]1CCC[C@@](C#N)(NCC(F)(F)F)CC1 ZINC000086849662 179357911 /nfs/dbraw/zinc/35/79/11/179357911.db2.gz NUHNFXMXWNKRFT-LLVKDONJSA-N 1 0 263.307 2.295 10 30 CEEERO CC(C)c1ccc([C@@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000066472873 362867784 /nfs/dbraw/zinc/86/77/84/362867784.db2.gz ODWGZPZPFQUUAB-GFCCVEGCSA-N 1 0 259.353 2.100 10 30 CEEERO N#Cc1cccc([C@@H]2CN(CC[NH3+])c3ccccc3N2)c1 ZINC000616693443 348562908 /nfs/dbraw/zinc/56/29/08/348562908.db2.gz RQLPFHQGUWTETO-INIZCTEOSA-N 1 0 278.359 2.490 10 30 CEEERO COc1cc(C[NH3+])cc(OC)c1OCC1(CC#N)CC1 ZINC000088249150 179570742 /nfs/dbraw/zinc/57/07/42/179570742.db2.gz IMCNRVGLQQNNFY-UHFFFAOYSA-N 1 0 276.336 2.235 10 30 CEEERO CN(C(=O)C#Cc1ccccc1)[C@@H]1CCCC[C@H]1C[NH3+] ZINC000089132071 179713874 /nfs/dbraw/zinc/71/38/74/179713874.db2.gz PGHLGJASGKOGNK-JKSUJKDBSA-N 1 0 270.376 2.014 10 30 CEEERO N#Cc1c(NC(=O)[C@H]2CCC[C@H]2C[NH3+])sc2c1CCC2 ZINC000089459996 179795187 /nfs/dbraw/zinc/79/51/87/179795187.db2.gz FZQMCNFRWTURIY-UWVGGRQHSA-N 1 0 289.404 2.422 10 30 CEEERO N#Cc1ccc(Cn2cc(C[NH3+])c3cccnc32)cc1 ZINC000091018975 180087181 /nfs/dbraw/zinc/08/71/81/180087181.db2.gz JQMSUSRJQLMMJE-UHFFFAOYSA-N 1 0 262.316 2.415 10 30 CEEERO [NH3+]CC#Cc1cnccc1C(=O)NCCC1CCCCC1 ZINC000091461806 180161518 /nfs/dbraw/zinc/16/15/18/180161518.db2.gz SFGFRTHFTGSJBT-UHFFFAOYSA-N 1 0 285.391 2.092 10 30 CEEERO Cc1ccc(NC(=O)c2ccncc2C#CC[NH3+])cc1C ZINC000091460946 180161665 /nfs/dbraw/zinc/16/16/65/180161665.db2.gz FWQDVWVEXFPBAY-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO C=CCC[C@H]([NH2+]CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612988 180207420 /nfs/dbraw/zinc/20/74/20/180207420.db2.gz FNFNHQRSYOPJJF-LSDHHAIUSA-N 1 0 254.418 2.432 10 30 CEEERO C[C@H]1C[NH+](CC(=O)Nc2ccccc2C#N)C[C@@H]1C ZINC000091528023 180179769 /nfs/dbraw/zinc/17/97/69/180179769.db2.gz FNDQNUJLSADDCS-RYUDHWBXSA-N 1 0 257.337 2.085 10 30 CEEERO CCc1ccc(C(=O)NCc2ccc(C#CC[NH3+])s2)o1 ZINC000091775647 180251479 /nfs/dbraw/zinc/25/14/79/180251479.db2.gz INRUBTAVSVCQLR-UHFFFAOYSA-N 1 0 288.372 2.144 10 30 CEEERO CCc1ccc(C(=O)NCc2ccc(C#CC[NH3+])cc2)o1 ZINC000091775635 180252059 /nfs/dbraw/zinc/25/20/59/180252059.db2.gz VOBSQACIFYAKQK-UHFFFAOYSA-N 1 0 282.343 2.082 10 30 CEEERO CC[NH2+][C@H](C)c1ccn(Cc2cccnc2C#N)c1 ZINC000091804835 180260034 /nfs/dbraw/zinc/26/00/34/180260034.db2.gz OXDKZNUKDJQESW-GFCCVEGCSA-N 1 0 254.337 2.474 10 30 CEEERO C[C@](O)([C@@H]1CCC[NH2+]C1)C1(C#N)Cc2ccccc2C1 ZINC000091879173 180279313 /nfs/dbraw/zinc/27/93/13/180279313.db2.gz ILORYMVUSLTMLD-CVEARBPZSA-N 1 0 270.376 2.046 10 30 CEEERO C[C@@H]1CCCN(C(=O)Nc2ccc(C#CC[NH3+])cc2F)C1 ZINC000091992426 180300324 /nfs/dbraw/zinc/30/03/24/180300324.db2.gz ODBINCWNEKGEQV-GFCCVEGCSA-N 1 0 289.354 2.400 10 30 CEEERO C=CCCCOc1ccc(C)nc1C[NH2+]CCOC ZINC000091996617 180301990 /nfs/dbraw/zinc/30/19/90/180301990.db2.gz HAMPNZVVKNILHR-UHFFFAOYSA-N 1 0 264.369 2.471 10 30 CEEERO C[C@H]1C[N@H+](Cc2ccc(F)cc2C#CCO)C[C@H]1C ZINC000092087034 180321831 /nfs/dbraw/zinc/32/18/31/180321831.db2.gz CRZWUMMVOFYYHD-BETUJISGSA-N 1 0 261.340 2.257 10 30 CEEERO CC(C)(C#N)c1ccc(NC(=O)[C@H]2C=C[C@H]([NH3+])C2)cc1 ZINC000092202436 180342851 /nfs/dbraw/zinc/34/28/51/180342851.db2.gz USVBMSSSPWELFX-AAEUAGOBSA-N 1 0 269.348 2.330 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000092473876 180393925 /nfs/dbraw/zinc/39/39/25/180393925.db2.gz YWERZNZBFWMPLY-LBPRGKRZSA-N 1 0 280.368 2.254 10 30 CEEERO CN(CC1CCCC1)C(=O)c1ccccc1C#CC[NH3+] ZINC000110847569 186329081 /nfs/dbraw/zinc/32/90/81/186329081.db2.gz YGPKRKHXOATJDT-UHFFFAOYSA-N 1 0 270.376 2.259 10 30 CEEERO N#CCc1nc2ccccc2n1[C@@H](C[NH3+])c1ccncc1 ZINC000110951636 186336146 /nfs/dbraw/zinc/33/61/46/186336146.db2.gz TUCYXEWJWUSXGP-HNNXBMFYSA-N 1 0 277.331 2.045 10 30 CEEERO CC[C@H]1CN(Cc2cc(C#CCCO)cs2)CC[N@@H+]1C ZINC000110734563 186318062 /nfs/dbraw/zinc/31/80/62/186318062.db2.gz LDLDGTMLQDWUJR-HNNXBMFYSA-N 1 0 292.448 2.008 10 30 CEEERO [NH3+]CC#Cc1ccccc1C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000111102456 186352552 /nfs/dbraw/zinc/35/25/52/186352552.db2.gz DHFGHWXWOJSLOY-NUEKZKHPSA-N 1 0 282.387 2.163 10 30 CEEERO CC(C)N[C@](C)(C#N)CC[N@H+](C)CC1CCOCC1 ZINC000111169306 186365481 /nfs/dbraw/zinc/36/54/81/186365481.db2.gz FUTLWNRCVUTTAF-HNNXBMFYSA-N 1 0 267.417 2.015 10 30 CEEERO C=CC1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000111382485 186411489 /nfs/dbraw/zinc/41/14/89/186411489.db2.gz ZPQPCPAJOYHLIU-KRWDZBQOSA-N 1 0 275.392 2.462 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000070174822 363048889 /nfs/dbraw/zinc/04/88/89/363048889.db2.gz VTIFTVSCDMJQKM-OCCSQVGLSA-N 1 0 284.407 2.396 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000130528751 187501680 /nfs/dbraw/zinc/50/16/80/187501680.db2.gz HQOOBSGCNOJYLH-GFCCVEGCSA-N 1 0 262.313 2.396 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1c(F)cc(C#N)cc1F ZINC000216211690 291055830 /nfs/dbraw/zinc/05/58/30/291055830.db2.gz VLNIVLUZHKHKHT-WPRPVWTQSA-N 1 0 251.280 2.010 10 30 CEEERO N#Cc1cc(Br)cnc1N1CCCC[C@H]1C[NH3+] ZINC000261553316 283087667 /nfs/dbraw/zinc/08/76/67/283087667.db2.gz NVOBQWMDKQTUJC-NSHDSACASA-N 1 0 295.184 2.033 10 30 CEEERO N#Cc1cc(N2CCC[C@H]([NH3+])C2)nc2ccccc12 ZINC000068770814 283103597 /nfs/dbraw/zinc/10/35/97/283103597.db2.gz XSXJDZQULQHDOB-LBPRGKRZSA-N 1 0 252.321 2.034 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261746788 283136758 /nfs/dbraw/zinc/13/67/58/283136758.db2.gz SUHDBMYRKVBVGF-GHMZBOCLSA-N 1 0 296.296 2.160 10 30 CEEERO N#Cc1ccc(N[C@H]2CC[NH2+]C2)c(C(F)(F)F)c1 ZINC000094078618 283181203 /nfs/dbraw/zinc/18/12/03/283181203.db2.gz WRQBPOKWZQQZKB-VIFPVBQESA-N 1 0 255.243 2.351 10 30 CEEERO C=C(Cl)CC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000685958854 540657813 /nfs/dbraw/zinc/65/78/13/540657813.db2.gz CXHJRTXVTWGADI-CYBMUJFWSA-N 1 0 266.772 2.157 10 30 CEEERO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC000092628672 364089415 /nfs/dbraw/zinc/08/94/15/364089415.db2.gz RDEHAXZXQYQEPD-INIZCTEOSA-N 1 0 257.381 2.474 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000094955187 364314288 /nfs/dbraw/zinc/31/42/88/364314288.db2.gz JVCMQSYHOSVKDG-NWDGAFQWSA-N 1 0 264.344 2.475 10 30 CEEERO CCOCC[N@@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000192001444 369761245 /nfs/dbraw/zinc/76/12/45/369761245.db2.gz PVTHVRAQFFVRIB-KRWDZBQOSA-N 1 0 286.419 2.081 10 30 CEEERO C=C(Br)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000228259446 370401067 /nfs/dbraw/zinc/40/10/67/370401067.db2.gz KSPHWPZHJHIPGN-RYUDHWBXSA-N 1 0 273.218 2.454 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C#N)cc2)C1 ZINC000246836312 371018020 /nfs/dbraw/zinc/01/80/20/371018020.db2.gz DYJRVOUFOWYELT-SWLSCSKDSA-N 1 0 271.364 2.017 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000247684130 371134982 /nfs/dbraw/zinc/13/49/82/371134982.db2.gz ZXXGEIMKBSPAGM-GJZGRUSLSA-N 1 0 263.385 2.156 10 30 CEEERO C=CCC1(C(=O)N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)CCC1 ZINC000249601578 371344812 /nfs/dbraw/zinc/34/48/12/371344812.db2.gz OLXYFZNKNMOJDL-LSDHHAIUSA-N 1 0 294.439 2.036 10 30 CEEERO N#Cc1cc2c(nc1N1CCC([NH2+]CC3CC3)CC1)CCC2 ZINC000262378151 371856764 /nfs/dbraw/zinc/85/67/64/371856764.db2.gz YKWFIUNLSOZZIE-UHFFFAOYSA-N 1 0 296.418 2.410 10 30 CEEERO C=CCOc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000392939804 375324173 /nfs/dbraw/zinc/32/41/73/375324173.db2.gz OLPCKOOWTQYRTN-DOMZBBRYSA-N 1 0 274.364 2.008 10 30 CEEERO C[C@H]1CN(Cc2cccc(C#N)c2F)C[C@H]1[NH+](C)C ZINC000300240171 379157410 /nfs/dbraw/zinc/15/74/10/379157410.db2.gz JNZXNTDLPUZEKZ-SMDDNHRTSA-N 1 0 261.344 2.079 10 30 CEEERO CCCN(c1cccc(C#N)n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000081596804 177828992 /nfs/dbraw/zinc/82/89/92/177828992.db2.gz MJRWHEQKAPFAKE-NNQSOWQGSA-N 1 0 270.380 2.453 10 30 CEEERO CC[C@@H](C)CN(C)C(=O)c1csc(C#CC[NH3+])c1 ZINC000093975759 184747431 /nfs/dbraw/zinc/74/74/31/184747431.db2.gz HOLLTIFANZWVID-LLVKDONJSA-N 1 0 264.394 2.176 10 30 CEEERO CN(C(=O)[C@H]1CCCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000094753583 184853391 /nfs/dbraw/zinc/85/33/91/184853391.db2.gz YISGFDKWLXWYFU-GJZGRUSLSA-N 1 0 271.364 2.429 10 30 CEEERO C[C@H]1CN(c2c(C#N)cnc3ccccc32)C[C@H]1[NH+](C)C ZINC000251550400 131129601 /nfs/dbraw/zinc/12/96/01/131129601.db2.gz BEUVMILDDPKRSG-BLLLJJGKSA-N 1 0 280.375 2.493 10 30 CEEERO CC[NH2+][C@@H](C)c1ccccc1N1CCO[C@H](C#N)C1 ZINC000093932665 135082827 /nfs/dbraw/zinc/08/28/27/135082827.db2.gz ZZNDVUKGQBNNKI-QWHCGFSZSA-N 1 0 259.353 2.086 10 30 CEEERO C[NH2+][C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000068770971 394583611 /nfs/dbraw/zinc/58/36/11/394583611.db2.gz KLMWCFVOCQEATI-CYBMUJFWSA-N 1 0 266.348 2.295 10 30 CEEERO N#Cc1cnc2ccccc2c1N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261729811 394606385 /nfs/dbraw/zinc/60/63/85/394606385.db2.gz QZVBRWSODXXJCV-TUKIKUTGSA-N 1 0 278.359 2.280 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000089108780 394646666 /nfs/dbraw/zinc/64/66/66/394646666.db2.gz VOUNCNQPEHVRHT-GWCFXTLKSA-N 1 0 274.324 2.396 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000096537356 394697857 /nfs/dbraw/zinc/69/78/57/394697857.db2.gz OYDCXCHXAJWDBL-SMDDNHRTSA-N 1 0 286.335 2.139 10 30 CEEERO C=C(Br)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000125288505 394842639 /nfs/dbraw/zinc/84/26/39/394842639.db2.gz AUQGCULFZIBMHW-LLVKDONJSA-N 1 0 259.191 2.065 10 30 CEEERO C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1C[NH3+] ZINC000164008969 395085204 /nfs/dbraw/zinc/08/52/04/395085204.db2.gz PFLGFHZZPXRFIY-WFASDCNBSA-N 1 0 284.407 2.253 10 30 CEEERO N#Cc1c(Br)cccc1N1CCC[C@@H]([NH3+])C1 ZINC000165075084 395086053 /nfs/dbraw/zinc/08/60/53/395086053.db2.gz HEOAXTFXXFXJMH-SECBINFHSA-N 1 0 280.169 2.248 10 30 CEEERO COC[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC(C)(C)O1 ZINC000343739159 395044596 /nfs/dbraw/zinc/04/45/96/395044596.db2.gz KFYVVIQQMOZMNF-AWEZNQCLSA-N 1 0 292.354 2.323 10 30 CEEERO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)[C@@H]1CCCO1 ZINC000183149608 395252605 /nfs/dbraw/zinc/25/26/05/395252605.db2.gz HFOQTSKBOLRFTI-PWSUYJOCSA-N 1 0 293.392 2.105 10 30 CEEERO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000186218217 395286624 /nfs/dbraw/zinc/28/66/24/395286624.db2.gz DKLKZAZYBVQMGX-INIZCTEOSA-N 1 0 281.363 2.295 10 30 CEEERO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cccs1 ZINC000192941248 395397270 /nfs/dbraw/zinc/39/72/70/395397270.db2.gz NSHXQAVCIRUDOV-MNOVXSKESA-N 1 0 265.382 2.159 10 30 CEEERO N#Cc1cc2c(nc1N1CCC([C@@H]3CCC[NH2+]3)CC1)CCC2 ZINC000261819829 153847945 /nfs/dbraw/zinc/84/79/45/153847945.db2.gz AQSVWZIUUYPLHO-INIZCTEOSA-N 1 0 296.418 2.410 10 30 CEEERO C[C@@H]([NH3+])CCNc1ccc(Br)cc1C#N ZINC000165302646 162343899 /nfs/dbraw/zinc/34/38/99/162343899.db2.gz SSUOBWQZJRHBRI-MRVPVSSYSA-N 1 0 268.158 2.470 10 30 CEEERO Cc1nc(NC[C@@H]2CCC[NH2+]2)c(Cl)cc1C#N ZINC000261551286 162546484 /nfs/dbraw/zinc/54/64/84/162546484.db2.gz MAIOTMWNLHBSQM-JTQLQIEISA-N 1 0 250.733 2.079 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1cccc(Br)c1C#N ZINC000169106379 165034506 /nfs/dbraw/zinc/03/45/06/165034506.db2.gz KQEYNDVRSWRJSJ-UWVGGRQHSA-N 1 0 294.196 2.494 10 30 CEEERO C[NH+](C)CCN[C@@H](C#N)c1c(F)cccc1Cl ZINC000020175254 171041740 /nfs/dbraw/zinc/04/17/40/171041740.db2.gz BVNWIUOWAGGOPL-NSHDSACASA-N 1 0 255.724 2.195 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl ZINC000020364450 171163057 /nfs/dbraw/zinc/16/30/57/171163057.db2.gz MKYNVTFLCLSCGH-SNVBAGLBSA-N 1 0 299.201 2.263 10 30 CEEERO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCc2ccccc21 ZINC000035179977 172033335 /nfs/dbraw/zinc/03/33/35/172033335.db2.gz YUMVENNITHPYPA-WFASDCNBSA-N 1 0 258.365 2.344 10 30 CEEERO C=CC[NH2+]Cc1ccc(I)o1 ZINC000037184987 173016852 /nfs/dbraw/zinc/01/68/52/173016852.db2.gz OIQWAEQEBBCFTR-UHFFFAOYSA-N 1 0 263.078 2.160 10 30 CEEERO Cc1cc(C)c(C#N)c(OCC[NH+]2CCCCC2)n1 ZINC000040509244 174303284 /nfs/dbraw/zinc/30/32/84/174303284.db2.gz TYILVHKOVSTYAG-UHFFFAOYSA-N 1 0 259.353 2.435 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000040634085 174360101 /nfs/dbraw/zinc/36/01/01/174360101.db2.gz UOELZBQJPDHMAX-WCQYABFASA-N 1 0 292.404 2.280 10 30 CEEERO C=C(Br)CN(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748442 174393020 /nfs/dbraw/zinc/39/30/20/174393020.db2.gz QNBVGGRTKSCICD-FOSCPWQOSA-N 1 0 273.218 2.500 10 30 CEEERO C=C(C)CN(CC)C(=O)CN(CC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748245 174393100 /nfs/dbraw/zinc/39/31/00/174393100.db2.gz MDHAXUOBPWFANH-XYPWUTKMSA-N 1 0 293.455 2.016 10 30 CEEERO OCC#Cc1ccccc1C[N@@H+](CCO)C1CCCCC1 ZINC000042514700 174765911 /nfs/dbraw/zinc/76/59/11/174765911.db2.gz JNQNPHMTCURIBO-UHFFFAOYSA-N 1 0 287.403 2.157 10 30 CEEERO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000042587974 174809618 /nfs/dbraw/zinc/80/96/18/174809618.db2.gz XMVQNOWHFBAUEK-RKDXNWHRSA-N 1 0 270.785 2.190 10 30 CEEERO COc1ccc([C@H]([C@H](C)[NH3+])N(CCC#N)C2CC2)cc1 ZINC000042962009 174927618 /nfs/dbraw/zinc/92/76/18/174927618.db2.gz AYZUGYVCUWEBNR-LRDDRELGSA-N 1 0 273.380 2.462 10 30 CEEERO CC[C@H]([NH3+])[C@@H](Oc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000043234025 174986941 /nfs/dbraw/zinc/98/69/41/174986941.db2.gz FWWGLSHKHHGLQT-GJZGRUSLSA-N 1 0 270.336 2.149 10 30 CEEERO CC[C@@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1cnn(C)c1 ZINC000043235097 174987289 /nfs/dbraw/zinc/98/72/89/174987289.db2.gz JNVJZNYLFSWUQY-CABCVRRESA-N 1 0 270.336 2.149 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1ccc(C#N)cc1)c1cccnc1 ZINC000043349717 175019101 /nfs/dbraw/zinc/01/91/01/175019101.db2.gz YCENXNOUOHDBFD-NHYWBVRUSA-N 1 0 253.305 2.421 10 30 CEEERO COc1cc(C#N)ccc1O[C@@H]([C@H](C)[NH3+])C(F)(F)F ZINC000043383395 175031258 /nfs/dbraw/zinc/03/12/58/175031258.db2.gz XRTKAWFLLPSKMS-CPCISQLKSA-N 1 0 274.242 2.224 10 30 CEEERO [NH3+]CC#Cc1ccc(CN2CCCCCCC2=O)s1 ZINC000043684309 175092976 /nfs/dbraw/zinc/09/29/76/175092976.db2.gz IMUWLKQCNKBQDX-UHFFFAOYSA-N 1 0 276.405 2.351 10 30 CEEERO [NH3+]CC#Cc1ccsc1COc1cccc(CO)c1 ZINC000043685445 175094200 /nfs/dbraw/zinc/09/42/00/175094200.db2.gz IFRXIQPTSDEHSZ-UHFFFAOYSA-N 1 0 273.357 2.130 10 30 CEEERO CC[N@@H+]1CC[C@H](CNC(=O)C2(C#N)CCCCCC2)C1 ZINC000044765985 175249036 /nfs/dbraw/zinc/24/90/36/175249036.db2.gz YUBYDVKYPLEGOO-CQSZACIVSA-N 1 0 277.412 2.309 10 30 CEEERO C[NH+](C)C1CCN(C(=O)C2(C#N)CCCCCC2)CC1 ZINC000044765874 175249104 /nfs/dbraw/zinc/24/91/04/175249104.db2.gz JAPAPAAGTPCEBP-UHFFFAOYSA-N 1 0 277.412 2.403 10 30 CEEERO CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](C#N)C(C)C ZINC000044810057 175257386 /nfs/dbraw/zinc/25/73/86/175257386.db2.gz XMPGIZDEBYIEGO-ZIAGYGMSSA-N 1 0 267.417 2.409 10 30 CEEERO C[NH+](C)CC(C)(C)CNC(=O)[C@@H](C#N)Cc1ccccc1 ZINC000044809431 175257549 /nfs/dbraw/zinc/25/75/49/175257549.db2.gz PCEXUSBDZZFINC-OAHLLOKOSA-N 1 0 287.407 2.073 10 30 CEEERO COCC[N@H+](CC[C@](C)(C#N)NC(C)C)[C@@H](C)C1CC1 ZINC000045182603 175325643 /nfs/dbraw/zinc/32/56/43/175325643.db2.gz LGZOQJTVTKRCNJ-GOEBONIOSA-N 1 0 281.444 2.404 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCC[N@@H+]1CCCN(C)CC1 ZINC000045308407 175356816 /nfs/dbraw/zinc/35/68/16/175356816.db2.gz APYQGPXFWCRTOW-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](CCCOC)CCOC ZINC000045317062 175357897 /nfs/dbraw/zinc/35/78/97/175357897.db2.gz UFEMDYTUWBFUMI-MRXNPFEDSA-N 1 0 299.459 2.033 10 30 CEEERO CCN[C@@](C)(C#N)CCCN1CC[NH+](C(C)(C)C)CC1 ZINC000045318442 175359067 /nfs/dbraw/zinc/35/90/67/175359067.db2.gz SYWDPLWHGMXPGK-MRXNPFEDSA-N 1 0 280.460 2.074 10 30 CEEERO CCC[NH2+][C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1=O ZINC000071039557 176027333 /nfs/dbraw/zinc/02/73/33/176027333.db2.gz JWXHYFKESGVSHZ-ZDUSSCGKSA-N 1 0 277.755 2.317 10 30 CEEERO C[NH2+]CC1CCN(Cc2ccc(F)cc2C#N)CC1 ZINC000071264375 176098198 /nfs/dbraw/zinc/09/81/98/176098198.db2.gz ITIQGQABRMHLIB-UHFFFAOYSA-N 1 0 261.344 2.129 10 30 CEEERO CC1CC[NH+](Cc2ccc(F)cc2/C(N)=N/O)CC1 ZINC000071266683 176100612 /nfs/dbraw/zinc/10/06/12/176100612.db2.gz YUCHSCCKJFNEDL-UHFFFAOYSA-N 1 0 265.332 2.152 10 30 CEEERO CCCN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CC[NH2+]C1 ZINC000071332748 176125929 /nfs/dbraw/zinc/12/59/29/176125929.db2.gz RUIVBIPYYUHAFA-ZDUSSCGKSA-N 1 0 274.324 2.045 10 30 CEEERO N#Cc1cc2ccccc2nc1N[C@@H]1CCC[NH2+]C1 ZINC000071386143 176147432 /nfs/dbraw/zinc/14/74/32/176147432.db2.gz HLAUUKWTVYZTCJ-CYBMUJFWSA-N 1 0 252.321 2.270 10 30 CEEERO C[C@H](C#N)CN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000071400819 176153090 /nfs/dbraw/zinc/15/30/90/176153090.db2.gz RRTOPKBMFSRWGG-TZMCWYRMSA-N 1 0 259.353 2.085 10 30 CEEERO C[NH+](C)CCCCN1C(=O)c2ccccc2[C@@H]1C#N ZINC000071677971 176242798 /nfs/dbraw/zinc/24/27/98/176242798.db2.gz JKGZSCQTMLDFKV-AWEZNQCLSA-N 1 0 257.337 2.049 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)C1 ZINC000662629534 415911532 /nfs/dbraw/zinc/91/15/32/415911532.db2.gz FBCHBYNCBWZHJU-IJLUTSLNSA-N 1 0 290.329 2.199 10 30 CEEERO C[C@@H](CC[NH3+])CCC(=O)N(C)Cc1cc(C#N)ccc1F ZINC000079118509 177436218 /nfs/dbraw/zinc/43/62/18/177436218.db2.gz PAZKLLIJRDGGFR-GFCCVEGCSA-N 1 0 291.370 2.421 10 30 CEEERO CCC[C@H](CC[NH3+])CCC(=O)NCCCCC#N ZINC000079866581 177572138 /nfs/dbraw/zinc/57/21/38/177572138.db2.gz XAFWZPLKXUTUJZ-ZDUSSCGKSA-N 1 0 253.390 2.342 10 30 CEEERO O=C(C[C@@H]1CCCCNC1=O)NCC[NH+]1CCSCC1 ZINC000329270948 227397815 /nfs/dbraw/zinc/39/78/15/227397815.db2.gz HTUVDDXYQFUGLJ-LBPRGKRZSA-N 1 0 299.440 2.138 10 30 CEEERO C=CCC1(C(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)CCC1 ZINC000249601577 261257358 /nfs/dbraw/zinc/25/73/58/261257358.db2.gz OLXYFZNKNMOJDL-GJZGRUSLSA-N 1 0 294.439 2.036 10 30 CEEERO Cc1ccccc1[C@H](C)[NH2+]CCC(=O)N(C)CCC#N ZINC000181562065 261903023 /nfs/dbraw/zinc/90/30/23/261903023.db2.gz MHDLXXBDFZQSGY-AWEZNQCLSA-N 1 0 273.380 2.408 10 30 CEEERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000399257310 267223999 /nfs/dbraw/zinc/22/39/99/267223999.db2.gz RINAKCUOPDKIIZ-ZFWWWQNUSA-N 1 0 274.364 2.172 10 30 CEEERO COC(=O)C1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000305821357 268005948 /nfs/dbraw/zinc/00/59/48/268005948.db2.gz HCXLDKSXGZBWTJ-MVKMKZAISA-N 1 0 250.342 2.000 10 30 CEEERO N#Cc1ccc(CNC(=[NH2+])N2CCCCCC2)s1 ZINC000263163232 268051506 /nfs/dbraw/zinc/05/15/06/268051506.db2.gz QXBRYIMCJKTCHJ-UHFFFAOYSA-N 1 0 262.382 2.310 10 30 CEEERO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000398987009 270364694 /nfs/dbraw/zinc/36/46/94/270364694.db2.gz FXIKAAMJKXRTBQ-GUTXKFCHSA-N 1 0 274.339 2.290 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCN(c2nc(C(F)(F)F)ccc2C#N)C1 ZINC000132472397 274240964 /nfs/dbraw/zinc/24/09/64/274240964.db2.gz XXGUJACTRLAPII-SCZZXKLOSA-N 1 0 284.285 2.146 10 30 CEEERO Cc1nc(N2CC[C@H]([NH+](C)C)C2)c(Cl)cc1C#N ZINC000292560767 274842275 /nfs/dbraw/zinc/84/22/75/274842275.db2.gz JQIGPWUYZMAYHV-NSHDSACASA-N 1 0 264.760 2.055 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261579666 274919421 /nfs/dbraw/zinc/91/94/21/274919421.db2.gz POLAZZKVRVLWBK-ZWNOBZJWSA-N 1 0 261.756 2.400 10 30 CEEERO N#Cc1ccc(N2CC[C@H](C[NH3+])C2)cc1C(F)(F)F ZINC000050249480 274924793 /nfs/dbraw/zinc/92/47/93/274924793.db2.gz VOEFQEBQGHUOFP-SECBINFHSA-N 1 0 269.270 2.362 10 30 CEEERO COCC[N@@H+]1CCN([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000249279996 280390739 /nfs/dbraw/zinc/39/07/39/280390739.db2.gz NBCHTUNVYFYEAA-LSDHHAIUSA-N 1 0 287.407 2.272 10 30 CEEERO Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c(C#N)c(C)n1 ZINC000156580436 280567862 /nfs/dbraw/zinc/56/78/62/280567862.db2.gz FBPCNRRQENBJHN-CQSZACIVSA-N 1 0 270.380 2.245 10 30 CEEERO Cc1nc(N[C@@H]2CCC[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261585918 293340418 /nfs/dbraw/zinc/34/04/18/293340418.db2.gz UCULEXLQQPWWJP-BXKDBHETSA-N 1 0 264.760 2.454 10 30 CEEERO N#Cc1cnc2ccccc2c1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000382443624 321840021 /nfs/dbraw/zinc/84/00/21/321840021.db2.gz HQNJYUONQIHGCR-WCQYABFASA-N 1 0 266.348 2.068 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000382455207 321840033 /nfs/dbraw/zinc/84/00/33/321840033.db2.gz IRBFTJBILXJQSJ-ONGXEEELSA-N 1 0 260.297 2.006 10 30 CEEERO C=CCC(CC=C)C(=O)N1CCN(CCOCC)[C@H](C)C1 ZINC000150727009 327365604 /nfs/dbraw/zinc/36/56/04/327365604.db2.gz XJLPPEJLWRWUGY-OAHLLOKOSA-N 1 0 294.439 2.324 10 30 CEEERO C[NH+]=C(NCc1cc(C)no1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000179130742 329205436 /nfs/dbraw/zinc/20/54/36/329205436.db2.gz KZHYCTRRIIDYTH-STQMWFEESA-N 1 0 276.384 2.180 10 30 CEEERO CC[C@@H](C)NC(=[NH2+])NCC1(C(F)(F)F)CCC1 ZINC000262070950 329999235 /nfs/dbraw/zinc/99/92/35/329999235.db2.gz CGCOJGTXGOQAFV-MRVPVSSYSA-N 1 0 251.296 2.422 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)C1 ZINC000262429874 330010054 /nfs/dbraw/zinc/01/00/54/330010054.db2.gz BNYDXJZHUWZGJF-MSQAHXEGSA-N 1 0 269.392 2.371 10 30 CEEERO COC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262512369 330019002 /nfs/dbraw/zinc/01/90/02/330019002.db2.gz DSSUPNMOMYSGDN-SBMIAAHKSA-N 1 0 299.777 2.274 10 30 CEEERO CCCOc1cc(C)ccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262675887 330026157 /nfs/dbraw/zinc/02/61/57/330026157.db2.gz TYFLJAMWHPUQLK-LBPRGKRZSA-N 1 0 261.369 2.221 10 30 CEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])NC1CCC1 ZINC000263097758 330043174 /nfs/dbraw/zinc/04/31/74/330043174.db2.gz JPSNETAADDFTHX-UHFFFAOYSA-N 1 0 270.380 2.444 10 30 CEEERO CN1CCC[NH+]=C1NC[C@]1(C)C[C@H]1c1ccccc1 ZINC000263195526 330048515 /nfs/dbraw/zinc/04/85/15/330048515.db2.gz WKLAVQMOLJEYOY-HOCLYGCPSA-N 1 0 257.381 2.461 10 30 CEEERO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000424066110 330219293 /nfs/dbraw/zinc/21/92/93/330219293.db2.gz NAFJCXVCEBKTOM-AXFHLTTASA-N 1 0 291.317 2.245 10 30 CEEERO C=CCCCCC[N@H+]1CCN(C[C@H](C)O)[C@@H](C)C1 ZINC000248823170 334318310 /nfs/dbraw/zinc/31/83/10/334318310.db2.gz YTLOMTLZOSAOMW-GJZGRUSLSA-N 1 0 254.418 2.120 10 30 CEEERO CC(C)[C@@H](C)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049618569 519791076 /nfs/dbraw/zinc/79/10/76/519791076.db2.gz KYZYMGLYKCLKKM-OAHLLOKOSA-N 1 0 275.392 2.386 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@H](C)N1CCC[C@@H]1C[NH+](C)C ZINC000068615194 520031625 /nfs/dbraw/zinc/03/16/25/520031625.db2.gz LJMPCZAWTGUISL-ARFHVFGLSA-N 1 0 280.460 2.073 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[NH+]1CCC(COC)CC1 ZINC000068616629 520030759 /nfs/dbraw/zinc/03/07/59/520030759.db2.gz JVWZDFSXZLXQGR-GDBMZVCRSA-N 1 0 281.444 2.405 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)CC[NH2+]CC ZINC000061295022 521681931 /nfs/dbraw/zinc/68/19/31/521681931.db2.gz KIVDSOUKFPQSNV-UHFFFAOYSA-N 1 0 273.380 2.296 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1cccc(OCCCC#N)c1 ZINC000061316717 521944582 /nfs/dbraw/zinc/94/45/82/521944582.db2.gz MNPAGQDXNSLFOQ-UHFFFAOYSA-N 1 0 275.352 2.306 10 30 CEEERO C#CCNC(=O)[C@H](C)Oc1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062728811 518284268 /nfs/dbraw/zinc/28/42/68/518284268.db2.gz YJHXPUYBKGYSFS-ZDUSSCGKSA-N 1 0 288.391 2.091 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1ccccc1OCC(C)C ZINC000066224351 518950116 /nfs/dbraw/zinc/95/01/16/518950116.db2.gz HRLIAAQOVMRZIO-UHFFFAOYSA-N 1 0 262.353 2.436 10 30 CEEERO C=C[C@H](C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000062732133 519300125 /nfs/dbraw/zinc/30/01/25/519300125.db2.gz IHBXDFRYLSSQMC-NSHDSACASA-N 1 0 280.324 2.284 10 30 CEEERO CC#CCOc1c(C[NH2+]CCOC)cccc1OCC ZINC000062732796 519345131 /nfs/dbraw/zinc/34/51/31/519345131.db2.gz KPBZNBLXHNVVGO-UHFFFAOYSA-N 1 0 277.364 2.223 10 30 CEEERO CC[NH2+]C[C@@H](C)C(=O)N(CC)Cc1ccc(C#N)cc1F ZINC000061236687 519933320 /nfs/dbraw/zinc/93/33/20/519933320.db2.gz GOOGFBMKFJPXBK-GFCCVEGCSA-N 1 0 291.370 2.291 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000068615956 520103341 /nfs/dbraw/zinc/10/33/41/520103341.db2.gz LIFRNBUQBZURHN-ULQDDVLXSA-N 1 0 292.471 2.217 10 30 CEEERO CCC(CC)C(=O)Nc1cc(C#CC[NH3+])ccc1OC ZINC000049587385 521501007 /nfs/dbraw/zinc/50/10/07/521501007.db2.gz DMPMQWFBHUBRAE-UHFFFAOYSA-N 1 0 274.364 2.380 10 30 CEEERO CCOC1CC[NH+](Cc2ccccc2C#CCO)CC1 ZINC000049613567 521656593 /nfs/dbraw/zinc/65/65/93/521656593.db2.gz QVRQYAKTMPYKQK-UHFFFAOYSA-N 1 0 273.376 2.031 10 30 CEEERO CN(C)C[C@H]1CCC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000061644198 521867423 /nfs/dbraw/zinc/86/74/23/521867423.db2.gz AJVZMHCVDZOLCD-MRXNPFEDSA-N 1 0 287.407 2.353 10 30 CEEERO C[NH2+]C[C@H]1CCCCN1c1nc(C)cc(C)c1C#N ZINC000063169515 522082438 /nfs/dbraw/zinc/08/24/38/522082438.db2.gz BJQOQJZVJREEEG-CYBMUJFWSA-N 1 0 258.369 2.148 10 30 CEEERO C[N@H+](Cc1ccc(C#CCCO)cc1F)C1CCOCC1 ZINC000049613276 523204302 /nfs/dbraw/zinc/20/43/02/523204302.db2.gz QGFSSXRHKMGILC-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO CN(Cc1ccc(F)c(C#CC[NH3+])c1)CC(F)(F)F ZINC000049609407 523239452 /nfs/dbraw/zinc/23/94/52/523239452.db2.gz VIGATTVAZZLMKQ-UHFFFAOYSA-N 1 0 274.261 2.130 10 30 CEEERO COCCC[N@H+](CCOC)[C@H](C)C[C@](C)(C#N)NC(C)C ZINC000068612897 523257658 /nfs/dbraw/zinc/25/76/58/523257658.db2.gz OKYGUHQLQKMQKE-HZPDHXFCSA-N 1 0 299.459 2.030 10 30 CEEERO CN(c1ccc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000164084604 523637692 /nfs/dbraw/zinc/63/76/92/523637692.db2.gz VRTPBLLXBOQKJJ-LLVKDONJSA-N 1 0 269.270 2.375 10 30 CEEERO CN(C(=O)[C@H](C[NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000061980468 523904718 /nfs/dbraw/zinc/90/47/18/523904718.db2.gz WRDUIXYIIGMOFH-MRXNPFEDSA-N 1 0 279.343 2.264 10 30 CEEERO CC[C@H](C)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049617195 523923398 /nfs/dbraw/zinc/92/33/98/523923398.db2.gz PIDFZAHANKBSLG-AWEZNQCLSA-N 1 0 261.365 2.140 10 30 CEEERO C[C@@H](CNC(=O)[C@@H](C#N)c1ccccc1)C[NH+]1CCCC1 ZINC000062079093 524694792 /nfs/dbraw/zinc/69/47/92/524694792.db2.gz MSYIBWKBXJJROX-HOCLYGCPSA-N 1 0 285.391 2.142 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000070175103 524859539 /nfs/dbraw/zinc/85/95/39/524859539.db2.gz IMNTWEOGVFBTOC-QWRGUYRKSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000054306869 524980807 /nfs/dbraw/zinc/98/08/07/524980807.db2.gz SDSUFHDSMZMCCJ-JSGCOSHPSA-N 1 0 271.364 2.125 10 30 CEEERO C[C@H]([NH2+]CCN(C)C1CC1)c1ccc(OCC#N)cc1 ZINC000061994254 525346275 /nfs/dbraw/zinc/34/62/75/525346275.db2.gz BBHKPJYGNILWGG-ZDUSSCGKSA-N 1 0 273.380 2.334 10 30 CEEERO C[C@@H](NC(=O)c1ccoc1)c1ccc(C#CC[NH3+])cc1 ZINC000049586762 525366608 /nfs/dbraw/zinc/36/66/08/525366608.db2.gz QBQQHGHDCCEDCC-GFCCVEGCSA-N 1 0 268.316 2.081 10 30 CEEERO C[C@H]1CCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])[C@H]1C ZINC000050568531 526266670 /nfs/dbraw/zinc/26/66/70/526266670.db2.gz GUJBQJRTMUZFEM-STQMWFEESA-N 1 0 288.366 2.397 10 30 CEEERO N#CCOc1ccc(NC(=O)CC[C@H]2CCCC[NH2+]2)cc1 ZINC000050949964 526474922 /nfs/dbraw/zinc/47/49/22/526474922.db2.gz OFDXWHNFVUPVAU-CYBMUJFWSA-N 1 0 287.363 2.450 10 30 CEEERO N#CC[C@H](c1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000055020407 526481218 /nfs/dbraw/zinc/48/12/18/526481218.db2.gz QNKCYHUYLALTKN-MRXNPFEDSA-N 1 0 255.365 2.421 10 30 CEEERO N#C[C@@]1(N2CCC[NH2+]CC2)CCCc2sccc21 ZINC000061329722 526503279 /nfs/dbraw/zinc/50/32/79/526503279.db2.gz IZGYWTOTOXAIEC-AWEZNQCLSA-N 1 0 261.394 2.099 10 30 CEEERO N#Cc1cc(NC[C@H]2CCC[NH2+]2)nc2ccccc12 ZINC000068770992 526572176 /nfs/dbraw/zinc/57/21/76/526572176.db2.gz IKRNYLHVXXUMLZ-GFCCVEGCSA-N 1 0 252.321 2.270 10 30 CEEERO N#Cc1cc(O[C@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068771702 526575451 /nfs/dbraw/zinc/57/54/51/526575451.db2.gz UQAKMFFKSIJPSC-LBPRGKRZSA-N 1 0 253.305 2.237 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000051360410 526576232 /nfs/dbraw/zinc/57/62/32/526576232.db2.gz YTJHSGGXJPIDAV-DZGCQCFKSA-N 1 0 286.335 2.187 10 30 CEEERO [NH3+]CC#Cc1ccc(C(=O)NCCc2ccsc2)cc1 ZINC000049189235 527149078 /nfs/dbraw/zinc/14/90/78/527149078.db2.gz SVHSMOMTJXFBQJ-UHFFFAOYSA-N 1 0 284.384 2.031 10 30 CEEERO [NH3+]CC#Cc1cncc(C(=O)Nc2ccc(Cl)cc2)c1 ZINC000049629333 527155163 /nfs/dbraw/zinc/15/51/63/527155163.db2.gz QHVJICYJNQRQET-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO [NH3+]Cc1cccc(NC(=O)C#Cc2ccccc2)c1 ZINC000063191005 527258468 /nfs/dbraw/zinc/25/84/68/527258468.db2.gz ARBVFRMZFHSFHI-UHFFFAOYSA-N 1 0 250.301 2.136 10 30 CEEERO OCCC#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000049616769 527530531 /nfs/dbraw/zinc/53/05/31/527530531.db2.gz PCVFVYXZZUERIH-SFHVURJKSA-N 1 0 287.403 2.157 10 30 CEEERO CCC[NH2+][C@@H](C)c1ccccc1N1CCO[C@H](C#N)C1 ZINC000093932700 535186934 /nfs/dbraw/zinc/18/69/34/535186934.db2.gz URSHLZQGLDCTOI-UONOGXRCSA-N 1 0 273.380 2.476 10 30 CEEERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)[C@@H](CC)C[NH2+]1 ZINC000086465894 536161564 /nfs/dbraw/zinc/16/15/64/536161564.db2.gz OSYHAGVZHPNZSB-STQMWFEESA-N 1 0 288.351 2.433 10 30 CEEERO C[NH2+]CCC1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000234359023 623554537 /nfs/dbraw/zinc/55/45/37/623554537.db2.gz WLIOEWQKEJGPSQ-UHFFFAOYSA-N 1 0 284.816 2.494 10 30 CEEERO C[NH2+]C[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000234391436 623991732 /nfs/dbraw/zinc/99/17/32/623991732.db2.gz CPAVHKQEMAZBDF-MRVPVSSYSA-N 1 0 270.789 2.104 10 30 CEEERO O=C(NCC#CC[NH+]1CCCC1)Nc1c(F)cccc1F ZINC000075164671 625100611 /nfs/dbraw/zinc/10/06/11/625100611.db2.gz BRUCVABIRVVLPV-UHFFFAOYSA-N 1 0 293.317 2.186 10 30 CEEERO CC(C)C[N@H+](CCC#N)C[C@H](O)COCc1ccccc1 ZINC000070270370 641650670 /nfs/dbraw/zinc/65/06/70/641650670.db2.gz MSKXJEYAKJEIHI-KRWDZBQOSA-N 1 0 290.407 2.436 10 30 CEEERO C#C[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000123128092 648815602 /nfs/dbraw/zinc/81/56/02/648815602.db2.gz WEXLALXTIGAHAX-QWHCGFSZSA-N 1 0 266.385 2.245 10 30 CEEERO CCC([NH3+])(CC)CNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000130053218 652208555 /nfs/dbraw/zinc/20/85/55/652208555.db2.gz JAXBQRLPBRIDLZ-UHFFFAOYSA-N 1 0 262.313 2.396 10 30 CEEERO C=CCc1ccccc1OC[C@H](O)C[N+](C)(C)CC=C ZINC000033882779 717122886 /nfs/dbraw/zinc/12/28/86/717122886.db2.gz FKWAXKZBUZPPES-MRXNPFEDSA-N 1 0 276.400 2.417 10 30 CEEERO N#Cc1ccc(NC(=O)CCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000096601453 185108025 /nfs/dbraw/zinc/10/80/25/185108025.db2.gz QQIQTTFIXPSXIT-UHFFFAOYSA-N 1 0 290.323 2.314 10 30 CEEERO C[C@H](C#N)Oc1c(Br)cccc1C[NH3+] ZINC000043513819 362147118 /nfs/dbraw/zinc/14/71/18/362147118.db2.gz RMZBSEGLCZZBJV-SSDOTTSWSA-N 1 0 255.115 2.199 10 30 CEEERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000300590674 344700472 /nfs/dbraw/zinc/70/04/72/344700472.db2.gz UXYGYRXKXIMWGY-FMKPAKJESA-N 1 0 274.364 2.076 10 30 CEEERO CN(CC(C)(C)[NH3+])c1ccc(Br)cc1C#N ZINC000594693642 345673232 /nfs/dbraw/zinc/67/32/32/345673232.db2.gz QXTSAPYAGBKNBZ-UHFFFAOYSA-N 1 0 282.185 2.494 10 30 CEEERO C[C@@H](C[NH3+])Nc1ccc(C#N)cc1Br ZINC000169225522 232266516 /nfs/dbraw/zinc/26/65/16/232266516.db2.gz GGGMXEJQVLNJKO-ZETCQYMHSA-N 1 0 254.131 2.080 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000085358200 179031172 /nfs/dbraw/zinc/03/11/72/179031172.db2.gz HDYWDGSEQMALBX-CMPLNLGQSA-N 1 0 263.728 2.278 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085360686 179032780 /nfs/dbraw/zinc/03/27/80/179032780.db2.gz XNBYYQZOTTYHNF-MNOVXSKESA-N 1 0 263.728 2.278 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC[C@@H]1[NH3+] ZINC000085368235 179038095 /nfs/dbraw/zinc/03/80/95/179038095.db2.gz BVAHLOITYLDTFV-HOTGVXAUSA-N 1 0 285.391 2.424 10 30 CEEERO CCN(Cc1ccc(C#N)cc1F)C(=O)[C@@H]1CCC[C@H]1[NH3+] ZINC000085368556 179038250 /nfs/dbraw/zinc/03/82/50/179038250.db2.gz SCJDRKWDQMEZEW-UKRRQHHQSA-N 1 0 289.354 2.173 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085368369 179038262 /nfs/dbraw/zinc/03/82/62/179038262.db2.gz KCRAGIQPHCYLMO-DZGCQCFKSA-N 1 0 289.354 2.173 10 30 CEEERO CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000085374656 179043594 /nfs/dbraw/zinc/04/35/94/179043594.db2.gz CMZMRDQOGNMVEW-KGLIPLIRSA-N 1 0 257.337 2.039 10 30 CEEERO N#Cc1cc(C(F)(F)F)ccc1NCCOCCC[NH3+] ZINC000600954400 346716182 /nfs/dbraw/zinc/71/61/82/346716182.db2.gz AQPJIXARNGQASG-UHFFFAOYSA-N 1 0 287.285 2.354 10 30 CEEERO C[C@@H]1CN(c2ccc(Br)cc2C#N)C[C@H]1C[NH3+] ZINC000600961564 346720061 /nfs/dbraw/zinc/72/00/61/346720061.db2.gz SNZNYUOWAZCQLX-MWLCHTKSSA-N 1 0 294.196 2.352 10 30 CEEERO CC1(CNc2ccc([N+](=O)[O-])cc2C#N)CC[NH2+]CC1 ZINC000129473408 365863130 /nfs/dbraw/zinc/86/31/30/365863130.db2.gz FZYNYADLEKXKHK-UHFFFAOYSA-N 1 0 274.324 2.268 10 30 CEEERO CC(C)C[C@@H](C[NH3+])Nc1c(C#N)nnc2ccccc21 ZINC000085920986 179200802 /nfs/dbraw/zinc/20/08/02/179200802.db2.gz SDAFMWKGHFQEGG-NSHDSACASA-N 1 0 269.352 2.287 10 30 CEEERO C[C@H](Cn1ccnc1)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037132 179221238 /nfs/dbraw/zinc/22/12/38/179221238.db2.gz OARYXPNUOSNIIP-ODIFPOPNSA-N 1 0 280.375 2.485 10 30 CEEERO N#Cc1cnc(NCC[NH2+]C2CCCCCC2)cn1 ZINC000130139124 365926167 /nfs/dbraw/zinc/92/61/67/365926167.db2.gz CMUVUTKLDILBST-UHFFFAOYSA-N 1 0 259.357 2.073 10 30 CEEERO [NH3+]CC#Cc1ccc(OCc2ccncc2)cc1F ZINC000087438987 179426168 /nfs/dbraw/zinc/42/61/68/179426168.db2.gz UCFKAPMHJFZVHF-UHFFFAOYSA-N 1 0 256.280 2.110 10 30 CEEERO C[C@]1(CNc2ccc([N+](=O)[O-])cc2C#N)CCC[NH2+]C1 ZINC000129377477 187427511 /nfs/dbraw/zinc/42/75/11/187427511.db2.gz RIGVJBUKZYLYIV-AWEZNQCLSA-N 1 0 274.324 2.268 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000089456713 179793963 /nfs/dbraw/zinc/79/39/63/179793963.db2.gz OBAFAZSKZWHBPC-JSGCOSHPSA-N 1 0 289.354 2.031 10 30 CEEERO N#CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@H]2CO)cc1 ZINC000089503064 179806241 /nfs/dbraw/zinc/80/62/41/179806241.db2.gz PVHLQCJOMSYJKW-CVEARBPZSA-N 1 0 288.391 2.477 10 30 CEEERO CCCN(c1cc(C#N)c2ccccc2n1)C1C[NH2+]C1 ZINC000090294167 179952172 /nfs/dbraw/zinc/95/21/72/179952172.db2.gz DSKQHOSQNSCESM-UHFFFAOYSA-N 1 0 266.348 2.295 10 30 CEEERO CCO[C@@H]1C[C@H]([NH3+])[C@@H]1Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000090313807 179956556 /nfs/dbraw/zinc/95/65/56/179956556.db2.gz AKPSBWOLCXVQRB-XQQFMLRXSA-N 1 0 299.296 2.494 10 30 CEEERO C#CCNC(=O)CSc1cccc(C[NH2+]CCC)c1 ZINC000090871549 180049929 /nfs/dbraw/zinc/04/99/29/180049929.db2.gz AXMQKHGTZYKPGW-UHFFFAOYSA-N 1 0 276.405 2.028 10 30 CEEERO Cc1c(F)cccc1NC(=O)c1ccncc1C#CC[NH3+] ZINC000091462624 180162018 /nfs/dbraw/zinc/16/20/18/180162018.db2.gz AVWIEYOCAKXORC-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO Cc1ccc([C@@H](C)NC(=O)c2ccncc2C#CC[NH3+])s1 ZINC000091462249 180162304 /nfs/dbraw/zinc/16/23/04/180162304.db2.gz ZIVBAKJBPDSULH-GFCCVEGCSA-N 1 0 299.399 2.253 10 30 CEEERO CCC(CC)(CC)NC(=O)c1ccncc1C#CC[NH3+] ZINC000091463617 180162660 /nfs/dbraw/zinc/16/26/60/180162660.db2.gz PJWMMMLNKIDQQT-UHFFFAOYSA-N 1 0 273.380 2.090 10 30 CEEERO CSC1(C#N)CC[NH+](CC2CCOCC2)CC1 ZINC000091472566 180165540 /nfs/dbraw/zinc/16/55/40/180165540.db2.gz JUUZJDNDFNIKNC-UHFFFAOYSA-N 1 0 254.399 2.134 10 30 CEEERO CSC1(C#N)CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000091471819 180165668 /nfs/dbraw/zinc/16/56/68/180165668.db2.gz OBDRRSOEUJHSGJ-VXGBXAGGSA-N 1 0 254.399 2.011 10 30 CEEERO CSC1(C#N)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000091473642 180165682 /nfs/dbraw/zinc/16/56/82/180165682.db2.gz VXMQWUFWTLXNBA-GFCCVEGCSA-N 1 0 254.399 2.277 10 30 CEEERO C=CCC[C@@H]([NH2+]CC)[C@@](C)(CC)N1CCOCC1 ZINC000091612986 180207408 /nfs/dbraw/zinc/20/74/08/180207408.db2.gz FNFNHQRSYOPJJF-HUUCEWRRSA-N 1 0 254.418 2.432 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091539426 180182918 /nfs/dbraw/zinc/18/29/18/180182918.db2.gz OGNVXBAHZWSDDF-HOTGVXAUSA-N 1 0 285.391 2.424 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)N2CCCCC2)c(F)c1 ZINC000091969674 180294895 /nfs/dbraw/zinc/29/48/95/180294895.db2.gz JDZUUXVVWVOTPL-UHFFFAOYSA-N 1 0 275.327 2.154 10 30 CEEERO Cc1ccc(OCc2ccc(C#N)cc2F)c(CC[NH3+])n1 ZINC000091999740 180303534 /nfs/dbraw/zinc/30/35/34/180303534.db2.gz JBTIIMFODUKAEL-UHFFFAOYSA-N 1 0 285.322 2.481 10 30 CEEERO C=C(C)Cn1nc(C[NH2+]CCOC)c2ccccc21 ZINC000092130451 180330071 /nfs/dbraw/zinc/33/00/71/180330071.db2.gz JJYFACGWCKERQX-UHFFFAOYSA-N 1 0 259.353 2.348 10 30 CEEERO C=CC[NH2+]CC(=O)N(C)Cc1ccccc1Cl ZINC000105913829 186088830 /nfs/dbraw/zinc/08/88/30/186088830.db2.gz QDPMCHOSMUPGMB-UHFFFAOYSA-N 1 0 252.745 2.074 10 30 CEEERO Cc1nn(-c2ccc(C#N)cc2)c(C)c1C[C@H](C)[NH3+] ZINC000092319793 180361721 /nfs/dbraw/zinc/36/17/21/180361721.db2.gz YHPGPMHXOLONGN-JTQLQIEISA-N 1 0 254.337 2.251 10 30 CEEERO COc1cc(C#N)ccc1OCc1cc(N)cc[nH+]1 ZINC000092420067 180382311 /nfs/dbraw/zinc/38/23/11/180382311.db2.gz AZUURXHTRKAMFS-UHFFFAOYSA-N 1 0 255.277 2.123 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000092474026 180393806 /nfs/dbraw/zinc/39/38/06/180393806.db2.gz LHKAMADTXOEECZ-MGPQQGTHSA-N 1 0 252.402 2.339 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cccc(N2CCCC2)c1 ZINC000092474416 180393818 /nfs/dbraw/zinc/39/38/18/180393818.db2.gz PVMKFQGGEFKGPO-UHFFFAOYSA-N 1 0 259.353 2.001 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])cc2)CC1 ZINC000110817781 186327233 /nfs/dbraw/zinc/32/72/33/186327233.db2.gz DYQBTZPUERYWJS-CQSZACIVSA-N 1 0 270.376 2.259 10 30 CEEERO CN(CC1CCCC1)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000110847563 186329049 /nfs/dbraw/zinc/32/90/49/186329049.db2.gz PKOZOOIETLMHBW-UHFFFAOYSA-N 1 0 276.405 2.321 10 30 CEEERO COc1ccc(CSc2cnccn2)cc1C#CC[NH3+] ZINC000110914153 186332542 /nfs/dbraw/zinc/33/25/42/186332542.db2.gz RQYZWUACBOIYAS-UHFFFAOYSA-N 1 0 285.372 2.088 10 30 CEEERO C=CCNC(=O)COc1cc(C)ccc1[C@@H](C)[NH2+]CC ZINC000110960544 186336213 /nfs/dbraw/zinc/33/62/13/186336213.db2.gz IAJGRNYHPRLLCA-CYBMUJFWSA-N 1 0 276.380 2.347 10 30 CEEERO CC[C@H]1CN(CCCOc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000110718807 186315489 /nfs/dbraw/zinc/31/54/89/186315489.db2.gz JAKCJTHWTNXNNE-INIZCTEOSA-N 1 0 287.407 2.353 10 30 CEEERO CC[C@@H]1CN(CCOc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000110718882 186315544 /nfs/dbraw/zinc/31/55/44/186315544.db2.gz HFRFITFHKKQSHG-MRXNPFEDSA-N 1 0 287.407 2.157 10 30 CEEERO N#Cc1cc(F)ccc1N1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000111027369 186346016 /nfs/dbraw/zinc/34/60/16/186346016.db2.gz TWOUVVQKNBNETQ-DZGCQCFKSA-N 1 0 259.328 2.418 10 30 CEEERO C[C@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C#N)cc1C(F)(F)F ZINC000111265331 186381270 /nfs/dbraw/zinc/38/12/70/186381270.db2.gz LDFUXXRWDQSCOW-WCBMZHEXSA-N 1 0 297.280 2.371 10 30 CEEERO C[C@@H]1C[NH2+]C[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000111263904 186381374 /nfs/dbraw/zinc/38/13/74/186381374.db2.gz YIXGGHQRFBVURX-KCJUWKMLSA-N 1 0 263.728 2.006 10 30 CEEERO C[C@@H](Cc1ccco1)NC(=O)c1sccc1C#CC[NH3+] ZINC000111541197 186426901 /nfs/dbraw/zinc/42/69/01/186426901.db2.gz XMNPSVZWWVEDPS-NSHDSACASA-N 1 0 288.372 2.012 10 30 CEEERO CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2C[NH2+]C[C@H](C=O)C2)C1 ZINC000675059404 540079406 /nfs/dbraw/zinc/07/94/06/540079406.db2.gz HKXCEQURFMXABB-HZSPNIEDSA-N 1 0 296.411 2.058 10 30 CEEERO N#Cc1cc(Cl)ccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000248555463 283094346 /nfs/dbraw/zinc/09/43/46/283094346.db2.gz KMRPFSUBYRNOLR-HNNXBMFYSA-N 1 0 275.783 2.492 10 30 CEEERO N#Cc1cc(F)ccc1N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000252839173 283099669 /nfs/dbraw/zinc/09/96/69/283099669.db2.gz ATDFGWSZTXBZPJ-BPNCWPANSA-N 1 0 259.328 2.261 10 30 CEEERO N#Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)c(Br)c1 ZINC000335308640 283165302 /nfs/dbraw/zinc/16/53/02/283165302.db2.gz OLNRLEXJUKMRSG-MFKMUULPSA-N 1 0 292.180 2.119 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000061362387 126122125 /nfs/dbraw/zinc/12/21/25/126122125.db2.gz GIUCZJYHGZVSCE-ZYHUDNBSSA-N 1 0 264.394 2.406 10 30 CEEERO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000151492344 366647963 /nfs/dbraw/zinc/64/79/63/366647963.db2.gz JBGCVUHOXPDCEO-CJNGLKHVSA-N 1 0 257.381 2.377 10 30 CEEERO C=CCOCc1cc(N)ccc1OCC[NH+]1CCCC1 ZINC000095635506 364392497 /nfs/dbraw/zinc/39/24/97/364392497.db2.gz AFXLLLIKSUPLOQ-UHFFFAOYSA-N 1 0 276.380 2.446 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2nc3c(cc2C#N)CCCC3)CC1 ZINC000110651464 364723463 /nfs/dbraw/zinc/72/34/63/364723463.db2.gz MBPWQMHRGXUBFG-GFCCVEGCSA-N 1 0 284.407 2.396 10 30 CEEERO C=CCCC[N@H+]1CCCN(c2ccc(C)nn2)CC1 ZINC000117879753 365129680 /nfs/dbraw/zinc/12/96/80/365129680.db2.gz LVTOXSHXRIFKMF-UHFFFAOYSA-N 1 0 260.385 2.263 10 30 CEEERO COc1ccccc1OCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000342786912 367535837 /nfs/dbraw/zinc/53/58/37/367535837.db2.gz WDILKYLMTYYBMT-STQMWFEESA-N 1 0 260.337 2.356 10 30 CEEERO N#CCc1ccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000171887556 367634090 /nfs/dbraw/zinc/63/40/90/367634090.db2.gz XBULDXDDONFBDC-HNNXBMFYSA-N 1 0 284.363 2.065 10 30 CEEERO COCC[N@@H+]1CCN([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000187681895 369203054 /nfs/dbraw/zinc/20/30/54/369203054.db2.gz NBCHTUNVYFYEAA-CABCVRRESA-N 1 0 287.407 2.272 10 30 CEEERO C=CC1CC[NH+](CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000190882113 369658368 /nfs/dbraw/zinc/65/83/68/369658368.db2.gz FTRVTAWMKJCONF-UHFFFAOYSA-N 1 0 295.423 2.369 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)cs2)C1 ZINC000247053488 371056613 /nfs/dbraw/zinc/05/66/13/371056613.db2.gz IJPOYWPZPGMLLN-ZYHUDNBSSA-N 1 0 277.393 2.078 10 30 CEEERO Cc1nccn1C[C@H]1CCCN1C[C@@H](C#N)CCC#N ZINC000247097542 371064810 /nfs/dbraw/zinc/06/48/10/371064810.db2.gz QCODXMMKDMHAQH-HUUCEWRRSA-N 1 0 271.368 2.099 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1C#N ZINC000247210828 371076752 /nfs/dbraw/zinc/07/67/52/371076752.db2.gz LZGAICADFKJEJU-LRDDRELGSA-N 1 0 273.355 2.366 10 30 CEEERO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCCC#N ZINC000249730049 371357364 /nfs/dbraw/zinc/35/73/64/371357364.db2.gz YUVAEGVFWHEQHF-MCIONIFRSA-N 1 0 264.369 2.486 10 30 CEEERO CC(=O)c1ccc(C#N)cc1N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000252747635 371475434 /nfs/dbraw/zinc/47/54/34/371475434.db2.gz CUUJKCLALITJIQ-MEDUHNTESA-N 1 0 271.364 2.147 10 30 CEEERO C[C@]1(C[NH3+])CCN(c2nc3c(cc2C#N)CCCC3)C1 ZINC000261877601 371758200 /nfs/dbraw/zinc/75/82/00/371758200.db2.gz ZVPPZDLIUSDCDT-MRXNPFEDSA-N 1 0 270.380 2.007 10 30 CEEERO Cc1nc(N[C@@H]2CC[C@@H](C[NH3+])C2)c(Cl)cc1C#N ZINC000382465675 375187999 /nfs/dbraw/zinc/18/79/99/375187999.db2.gz LQZKXNFLFSWHME-MWLCHTKSSA-N 1 0 264.760 2.454 10 30 CEEERO C=CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000392939808 375324242 /nfs/dbraw/zinc/32/42/42/375324242.db2.gz OLPCKOOWTQYRTN-SWLSCSKDSA-N 1 0 274.364 2.008 10 30 CEEERO C[C@H]1C[C@@H](O)C[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000334828081 207146954 /nfs/dbraw/zinc/14/69/54/207146954.db2.gz UZEUWLXACCXAKY-GXTWGEPZSA-N 1 0 269.348 2.014 10 30 CEEERO CC(C)(C)[NH2+]CCC(=O)Nc1ccc(OCC#N)cc1 ZINC000040807819 184547839 /nfs/dbraw/zinc/54/78/39/184547839.db2.gz IUFWNBYPVSNXLS-UHFFFAOYSA-N 1 0 275.352 2.306 10 30 CEEERO C[C@H]1CCCCN1C(=O)c1csc(C#CC[NH3+])c1 ZINC000093975577 184747112 /nfs/dbraw/zinc/74/71/12/184747112.db2.gz JICYAXCOPLYONI-NSHDSACASA-N 1 0 262.378 2.073 10 30 CEEERO Cc1cc(C#CC[NH3+])ccc1NC(=O)c1cccnc1C ZINC000094649391 184834369 /nfs/dbraw/zinc/83/43/69/184834369.db2.gz LWYUAUMTPSXDES-UHFFFAOYSA-N 1 0 279.343 2.261 10 30 CEEERO C[C@H]([NH3+])[C@H](c1ccc(Cl)s1)n1ccnc1C#N ZINC000094936610 184895958 /nfs/dbraw/zinc/89/59/58/184895958.db2.gz YQNMDZKAPFPGAQ-WRWORJQWSA-N 1 0 266.757 2.406 10 30 CEEERO COc1cc(C[NH2+]C[C@@H](O)C(C)(C)C)ccc1C#N ZINC000281638301 195317633 /nfs/dbraw/zinc/31/76/33/195317633.db2.gz ITECANALNPWIGG-CQSZACIVSA-N 1 0 262.353 2.063 10 30 CEEERO C[C@H]1CCC[C@H](C[NH3+])N1c1c(C#N)nnc2ccccc21 ZINC000085921024 135038461 /nfs/dbraw/zinc/03/84/61/135038461.db2.gz JHXKIQFXKJZJSH-NWDGAFQWSA-N 1 0 281.363 2.208 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261593252 394603486 /nfs/dbraw/zinc/60/34/86/394603486.db2.gz ZBVNESICMXCNDM-SUHUHFCYSA-N 1 0 261.756 2.385 10 30 CEEERO CC(C)[C@@H]([NH3+])C(=O)N1CCC2(C1)CCC(CS)CC2 ZINC000095087952 394671785 /nfs/dbraw/zinc/67/17/85/394671785.db2.gz NQUWPZFKXRAACE-JVWICGRDSA-N 1 0 284.469 2.308 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCN(c2cccc(Br)c2C#N)C1 ZINC000169107364 395089088 /nfs/dbraw/zinc/08/90/88/395089088.db2.gz LWYKXSVBWCUPAI-VHSXEESVSA-N 1 0 294.196 2.494 10 30 CEEERO Cn1cc([C@@H]2CCC[N@@H+]2CCCSCC#N)cn1 ZINC000173882186 395116598 /nfs/dbraw/zinc/11/65/98/395116598.db2.gz JXSSXLDAKWZDNX-ZDUSSCGKSA-N 1 0 264.398 2.204 10 30 CEEERO CC#CC[N@@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195254313 395463272 /nfs/dbraw/zinc/46/32/72/395463272.db2.gz JOPOVCHLPHCPAE-CQSZACIVSA-N 1 0 277.437 2.229 10 30 CEEERO CC[C@@H]([NH3+])[C@](O)(c1cccc(C#N)c1)C(F)(F)F ZINC000062784332 522654636 /nfs/dbraw/zinc/65/46/36/522654636.db2.gz UMROIKADTLJMGZ-GHMZBOCLSA-N 1 0 258.243 2.045 10 30 CEEERO N#Cc1ccc(NC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000169227947 165038702 /nfs/dbraw/zinc/03/87/02/165038702.db2.gz GFYNQJYSPWDYDI-SNVBAGLBSA-N 1 0 280.169 2.342 10 30 CEEERO Cc1c(F)cc(C#N)cc1NC(=O)CC[NH2+]C1CC1 ZINC000037613407 173560797 /nfs/dbraw/zinc/56/07/97/173560797.db2.gz UJRWJYXBLBTHQR-UHFFFAOYSA-N 1 0 261.300 2.086 10 30 CEEERO N#C[C@]1(N2CCC[NH2+]CC2)CCCc2ccccc21 ZINC000037940573 173880650 /nfs/dbraw/zinc/88/06/50/173880650.db2.gz UYQKNXUBSMEMSL-MRXNPFEDSA-N 1 0 255.365 2.037 10 30 CEEERO Cc1cc(C)c(C#N)c(N2[C@@H]3CC[C@H]2CC([NH3+])C3)n1 ZINC000040750479 174395840 /nfs/dbraw/zinc/39/58/40/174395840.db2.gz SYPZGYAOZMSGDJ-YHWZYXNKSA-N 1 0 256.353 2.029 10 30 CEEERO CC[C@H]([NH3+])[C@@H](Oc1cccc(C#N)c1)c1cnn(C)c1 ZINC000043235094 174987335 /nfs/dbraw/zinc/98/73/35/174987335.db2.gz JNVJZNYLFSWUQY-GJZGRUSLSA-N 1 0 270.336 2.149 10 30 CEEERO C[C@H]([NH3+])[C@H](Oc1cccc(F)c1C#N)C(F)(F)F ZINC000043385161 175031632 /nfs/dbraw/zinc/03/16/32/175031632.db2.gz HYIXJCIMPXJYDF-WKEGUHRASA-N 1 0 262.206 2.354 10 30 CEEERO CN(Cc1ccc(C#CC[NH3+])s1)Cc1cccnc1 ZINC000043683731 175091784 /nfs/dbraw/zinc/09/17/84/175091784.db2.gz MGNLNYLLBCBLOF-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO [NH3+]CC#Cc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043684281 175093308 /nfs/dbraw/zinc/09/33/08/175093308.db2.gz CTFOBZLMJTTZCV-JKSUJKDBSA-N 1 0 290.432 2.202 10 30 CEEERO CN(Cc1cc(C#CC[NH3+])cs1)Cc1ccccn1 ZINC000043688923 175095593 /nfs/dbraw/zinc/09/55/93/175095593.db2.gz YRAKKPNYUXFVFW-UHFFFAOYSA-N 1 0 271.389 2.085 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745137 175241443 /nfs/dbraw/zinc/24/14/43/175241443.db2.gz FXKRKAJYIBBUOD-BLLLJJGKSA-N 1 0 288.391 2.353 10 30 CEEERO CC[NH+](CC)CCNC(=O)C1(C#N)CCCCCC1 ZINC000044764612 175248687 /nfs/dbraw/zinc/24/86/87/175248687.db2.gz GIGJVWHBXKAROP-UHFFFAOYSA-N 1 0 265.401 2.309 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)C2(C#N)CCCCCC2)C1 ZINC000044766545 175249451 /nfs/dbraw/zinc/24/94/51/175249451.db2.gz YPBLOILTYQZPDF-CQSZACIVSA-N 1 0 277.412 2.451 10 30 CEEERO CCCC(C#N)(CCC)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044828218 175259708 /nfs/dbraw/zinc/25/97/08/175259708.db2.gz IHMIUYQFUOBXTL-ZDUSSCGKSA-N 1 0 277.412 2.449 10 30 CEEERO C[N@H+](CCOc1cccc(C#CCO)c1)CC(C)(C)C ZINC000045086807 175304347 /nfs/dbraw/zinc/30/43/47/175304347.db2.gz IKPSDALCADQNTA-UHFFFAOYSA-N 1 0 275.392 2.387 10 30 CEEERO C=C(Br)CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000045135010 175312706 /nfs/dbraw/zinc/31/27/06/175312706.db2.gz KPTMQZOLUBBBDG-LLVKDONJSA-N 1 0 261.207 2.215 10 30 CEEERO CCN[C@@](C)(C#N)CCN1CCC([NH+]2CCCCC2)CC1 ZINC000045181576 175324603 /nfs/dbraw/zinc/32/46/03/175324603.db2.gz DCTIFUDSOYXHEZ-QGZVFWFLSA-N 1 0 292.471 2.219 10 30 CEEERO CC(C)N[C@@](C)(C#N)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000045181892 175324641 /nfs/dbraw/zinc/32/46/41/175324641.db2.gz FSJFNZMLZUDLLY-LSDHHAIUSA-N 1 0 267.417 2.158 10 30 CEEERO CC[C@H](C)[N@H+](CCOC)CC[C@@](C)(C#N)NC1CC1 ZINC000045182728 175325718 /nfs/dbraw/zinc/32/57/18/175325718.db2.gz XNWDEMDYQXMROI-ZFWWWQNUSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@](C)(C#N)CCCCN1CCC([NH+](C)C)CC1 ZINC000045311145 175356635 /nfs/dbraw/zinc/35/66/35/175356635.db2.gz XTVSKUJGBSNSHJ-INIZCTEOSA-N 1 0 280.460 2.074 10 30 CEEERO CCN[C@@](C)(C#N)CCC[NH+]1CCC(OCC)CC1 ZINC000045313024 175357217 /nfs/dbraw/zinc/35/72/17/175357217.db2.gz KLSCJQQKJRKWCT-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@H+](C)C1CCN(CC)CC1 ZINC000045317150 175358112 /nfs/dbraw/zinc/35/81/12/175358112.db2.gz CAHNDPBNHGMVPS-QGZVFWFLSA-N 1 0 294.487 2.465 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000659330099 415522230 /nfs/dbraw/zinc/52/22/30/415522230.db2.gz UQPNLXOGTNNKRD-RDBSUJKOSA-N 1 0 250.386 2.237 10 30 CEEERO CCC[NH2+][C@@H]1CCCN(c2ccc(CC#N)cc2)C1=O ZINC000071041466 176028215 /nfs/dbraw/zinc/02/82/15/176028215.db2.gz NKDRVSBLGDKQND-OAHLLOKOSA-N 1 0 271.364 2.248 10 30 CEEERO CC[NH+](CC)CCN[C@](C)(C#N)Cc1ccc(OC)cc1 ZINC000071169531 176050577 /nfs/dbraw/zinc/05/05/77/176050577.db2.gz WNIPJZTXOUULOK-KRWDZBQOSA-N 1 0 289.423 2.451 10 30 CEEERO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1(C#N)CCCCCC1 ZINC000071190162 176067021 /nfs/dbraw/zinc/06/70/21/176067021.db2.gz XRMANDHLTSIOMJ-CQSZACIVSA-N 1 0 277.412 2.261 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccsc1)N(CCC#N)CCOC ZINC000071221960 176087491 /nfs/dbraw/zinc/08/74/91/176087491.db2.gz MPPURMIMMYLCFB-KBPBESRZSA-N 1 0 281.425 2.389 10 30 CEEERO CC[C@H]([NH3+])[C@@H](N(CCC#N)CCOC)C(C)(C)C ZINC000071222212 176087498 /nfs/dbraw/zinc/08/74/98/176087498.db2.gz QMZHBTLIQAUFPL-QWHCGFSZSA-N 1 0 255.406 2.000 10 30 CEEERO CCOC(=O)CCCCC[N@H+](CCC#N)C1CC1 ZINC000071293250 176111052 /nfs/dbraw/zinc/11/10/52/176111052.db2.gz SQDHEANSQUQTOU-UHFFFAOYSA-N 1 0 252.358 2.488 10 30 CEEERO Cc1ccc(C(=O)NCc2ccc(C#CC[NH3+])s2)cc1 ZINC000071322669 176122925 /nfs/dbraw/zinc/12/29/25/176122925.db2.gz DVGPFXQTGWZMGM-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO Cc1cc(C(=O)NCc2ccc(C#CC[NH3+])s2)c(C)o1 ZINC000071322767 176123414 /nfs/dbraw/zinc/12/34/14/176123414.db2.gz DMLBIXUXDMXAMV-UHFFFAOYSA-N 1 0 288.372 2.198 10 30 CEEERO CCN(C[C@H](C)C#N)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000071400802 176153039 /nfs/dbraw/zinc/15/30/39/176153039.db2.gz USGFRLHKXHEEDU-HIFRSBDPSA-N 1 0 273.380 2.475 10 30 CEEERO [NH2+]=C(NC[C@@H]1CCCO1)SCC(F)(F)C(F)F ZINC000074942625 176638950 /nfs/dbraw/zinc/63/89/50/176638950.db2.gz VHKYHTNIWQHEGJ-LURJTMIESA-N 1 0 274.283 2.114 10 30 CEEERO C=CCNC(=O)[C@@H](CC[NH3+])c1ccc(Cl)cc1 ZINC000076656952 177045794 /nfs/dbraw/zinc/04/57/94/177045794.db2.gz NYUUECOSVJQCDH-LBPRGKRZSA-N 1 0 252.745 2.075 10 30 CEEERO CCn1nccc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000330075628 228034113 /nfs/dbraw/zinc/03/41/13/228034113.db2.gz LZIPXIVQNSXSIU-ZDUSSCGKSA-N 1 0 293.415 2.493 10 30 CEEERO C[C@H](CC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)N1CCCCC1=O ZINC000328751741 263854479 /nfs/dbraw/zinc/85/44/79/263854479.db2.gz NDKTVUCTEMVHNU-MCIONIFRSA-N 1 0 295.427 2.217 10 30 CEEERO Cc1nc(N2CC[C@H]([NH3+])[C@H](C)C2)c(Cl)cc1C#N ZINC000261587061 274842341 /nfs/dbraw/zinc/84/23/41/274842341.db2.gz UUMBYMZNAQHOKM-PELKAZGASA-N 1 0 264.760 2.089 10 30 CEEERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000399257303 267222579 /nfs/dbraw/zinc/22/25/79/267222579.db2.gz RINAKCUOPDKIIZ-DZGCQCFKSA-N 1 0 274.364 2.172 10 30 CEEERO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1[NH3+] ZINC000235328941 274362972 /nfs/dbraw/zinc/36/29/72/274362972.db2.gz GGDQINZRJXHPIU-PELKAZGASA-N 1 0 269.270 2.360 10 30 CEEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000335655946 274564913 /nfs/dbraw/zinc/56/49/13/274564913.db2.gz DMIFKJMMSLHZOU-UFBFGSQYSA-N 1 0 251.280 2.246 10 30 CEEERO C[C@H]1C[C@H](C[NH3+])CN1c1c(C#N)cnc2ccccc21 ZINC000216211107 274620113 /nfs/dbraw/zinc/62/01/13/274620113.db2.gz VYWLAQAHAMUJBS-NWDGAFQWSA-N 1 0 266.348 2.280 10 30 CEEERO C[C@H]1[NH2+]CCC[C@@H]1Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000229600638 274630790 /nfs/dbraw/zinc/63/07/90/274630790.db2.gz BYHCJSRQHGLLPT-KOLCDFICSA-N 1 0 260.297 2.019 10 30 CEEERO Cc1nc(N[C@H]2CCC[C@@H]2C[NH3+])c(Cl)cc1C#N ZINC000261585921 274844559 /nfs/dbraw/zinc/84/45/59/274844559.db2.gz UCULEXLQQPWWJP-SKDRFNHKSA-N 1 0 264.760 2.454 10 30 CEEERO N#Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc2ccccc12 ZINC000261758660 274920572 /nfs/dbraw/zinc/92/05/72/274920572.db2.gz USNRRRVCCWPWNB-SWLSCSKDSA-N 1 0 278.359 2.295 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000261684938 274930606 /nfs/dbraw/zinc/93/06/06/274930606.db2.gz MTEJMABGDGCKNC-KRWDZBQOSA-N 1 0 278.359 2.296 10 30 CEEERO CCC[C@H](C(=O)N(C)Cc1cccc(C#N)c1)[NH+](C)C ZINC000161482043 276037185 /nfs/dbraw/zinc/03/71/85/276037185.db2.gz CSKMEXQRXDSPPZ-OAHLLOKOSA-N 1 0 273.380 2.247 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000126627450 278224685 /nfs/dbraw/zinc/22/46/85/278224685.db2.gz BOPGNNCIKYCXCE-JTQLQIEISA-N 1 0 274.324 2.030 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 ZINC000124870016 279394063 /nfs/dbraw/zinc/39/40/63/279394063.db2.gz GUHRFTRULZIGPO-JTQLQIEISA-N 1 0 274.324 2.030 10 30 CEEERO N#Cc1nnc2ccccc2c1N1CCC[C@H](CC[NH3+])C1 ZINC000085921036 279550662 /nfs/dbraw/zinc/55/06/62/279550662.db2.gz FEZFVTLUMBFZIJ-GFCCVEGCSA-N 1 0 281.363 2.067 10 30 CEEERO C[C@@H]([NH3+])C[C@@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000320699974 297497908 /nfs/dbraw/zinc/49/79/08/297497908.db2.gz RRXWWLIMYPUBNS-NXEZZACHSA-N 1 0 255.325 2.039 10 30 CEEERO C=CCCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000177922241 329190442 /nfs/dbraw/zinc/19/04/42/329190442.db2.gz PXMALJMISFLSHS-ZIAGYGMSSA-N 1 0 250.386 2.428 10 30 CEEERO C=C(C)CN(C)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000181611590 329235063 /nfs/dbraw/zinc/23/50/63/329235063.db2.gz BGHURRNLKCHVMA-CQSZACIVSA-N 1 0 267.417 2.324 10 30 CEEERO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000262159156 330000947 /nfs/dbraw/zinc/00/09/47/330000947.db2.gz NWWLCYLMCNXVJS-YIYPIFLZSA-N 1 0 267.417 2.237 10 30 CEEERO CC(C)c1cccc(NC(=[NH2+])NCC(=O)NC(C)(C)C)c1 ZINC000262393589 330012351 /nfs/dbraw/zinc/01/23/51/330012351.db2.gz ZALAHUAGABZUHJ-UHFFFAOYSA-N 1 0 290.411 2.451 10 30 CEEERO [NH2+]=C(N[C@@H]1COc2ccc(F)cc21)N1CCCCCC1 ZINC000262468917 330015324 /nfs/dbraw/zinc/01/53/24/330015324.db2.gz YRYDKDYIDFSDFC-CYBMUJFWSA-N 1 0 277.343 2.450 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N[C@@H]1C[C@@H]1C ZINC000262475570 330016145 /nfs/dbraw/zinc/01/61/45/330016145.db2.gz ZRKFJIUZWJLFPR-RBJBARPLSA-N 1 0 279.334 2.394 10 30 CEEERO CC1(C)CCC[C@](O)(CNC(=[NH2+])Nc2ccccn2)C1 ZINC000262769458 330030373 /nfs/dbraw/zinc/03/03/73/330030373.db2.gz IGZCKVONOOIZEB-OAHLLOKOSA-N 1 0 276.384 2.140 10 30 CEEERO CC[NH+]=C(NCC1CCC1)NC[C@]1(C)CCCC[C@H]1O ZINC000262793982 330032085 /nfs/dbraw/zinc/03/20/85/330032085.db2.gz OWPRHDLCHWVAAH-ZBFHGGJFSA-N 1 0 281.444 2.283 10 30 CEEERO C=C[C@@H](C)Oc1ccc(C[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000062730746 519292965 /nfs/dbraw/zinc/29/29/65/519292965.db2.gz DZSJBCTUVOAWFJ-LLVKDONJSA-N 1 0 280.324 2.284 10 30 CEEERO CC(C)N[C@](C)(C#N)C[C@H](C)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000068614945 519739403 /nfs/dbraw/zinc/73/94/03/519739403.db2.gz DMQYWLKQNAPMSZ-XHSDSOJGSA-N 1 0 280.460 2.071 10 30 CEEERO CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)CC2 ZINC000248996454 500579849 /nfs/dbraw/zinc/57/98/49/500579849.db2.gz PDQKCYVBIDACIM-MGPQQGTHSA-N 1 0 287.411 2.388 10 30 CEEERO CCC[N@H+](C)Cc1ccc(OC)c(C#CCCO)c1 ZINC000049617716 521502440 /nfs/dbraw/zinc/50/24/40/521502440.db2.gz BLJOYKNAKBRNEN-UHFFFAOYSA-N 1 0 261.365 2.271 10 30 CEEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](n2cncn2)C1 ZINC000333353798 534257918 /nfs/dbraw/zinc/25/79/18/534257918.db2.gz BQKZMRVWAFRQFQ-QKGCVVFFSA-N 1 0 273.384 2.290 10 30 CEEERO C=C(C)COc1c(OC)cc(C[NH2+]CCOC)cc1OC ZINC000062732853 518611477 /nfs/dbraw/zinc/61/14/77/518611477.db2.gz IBGSYMOYPBMVFR-UHFFFAOYSA-N 1 0 295.379 2.395 10 30 CEEERO C=CCN(CC=C)Cc1csc(C[NH2+]CC)n1 ZINC000052376285 518771109 /nfs/dbraw/zinc/77/11/09/518771109.db2.gz BSQJLVLQLLGOKX-UHFFFAOYSA-N 1 0 251.399 2.427 10 30 CEEERO CC#CCOc1ccc(C[NH2+]CCOC)cc1OCC ZINC000062731236 519344274 /nfs/dbraw/zinc/34/42/74/519344274.db2.gz VXQDQUWDNQMFMC-UHFFFAOYSA-N 1 0 277.364 2.223 10 30 CEEERO CC(C)C(=O)Nc1cc(C#CC[NH3+])ccc1Cl ZINC000061691970 519516861 /nfs/dbraw/zinc/51/68/61/519516861.db2.gz FGGJGPRHPDWUHQ-UHFFFAOYSA-N 1 0 250.729 2.245 10 30 CEEERO CCCN[C@@](C#N)(CN1CC[C@H]([NH+](CC)CC)C1)C1CC1 ZINC000069083305 520029514 /nfs/dbraw/zinc/02/95/14/520029514.db2.gz QJAGHUIRBXYWOJ-IRXDYDNUSA-N 1 0 292.471 2.074 10 30 CEEERO CC[NH2+][C@@H](C)CC(=O)Nc1cc(C#N)cc(F)c1C ZINC000061271180 520066712 /nfs/dbraw/zinc/06/67/12/520066712.db2.gz LJXKNXHVLRPUJM-VIFPVBQESA-N 1 0 263.316 2.332 10 30 CEEERO CCN[C@](C)(C#N)CCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000055070196 520224998 /nfs/dbraw/zinc/22/49/98/520224998.db2.gz PHGZXBJOEQGIPC-IRXDYDNUSA-N 1 0 294.487 2.465 10 30 CEEERO CCC(CC)[N@H+](CCOC)CC[C@@H](C#N)NC(C)C ZINC000062437721 521559886 /nfs/dbraw/zinc/55/98/86/521559886.db2.gz VIHYEIZYKMXCSO-AWEZNQCLSA-N 1 0 269.433 2.404 10 30 CEEERO CCOC1CC[NH+](Cc2ccc(F)c(C#CCO)c2)CC1 ZINC000049613575 521656793 /nfs/dbraw/zinc/65/67/93/521656793.db2.gz FRUYDSINOVAXQW-UHFFFAOYSA-N 1 0 291.366 2.170 10 30 CEEERO CC[C@H](C)[C@H](C)NC(=O)c1ccccc1C#CC[NH3+] ZINC000049105789 521934187 /nfs/dbraw/zinc/93/41/87/521934187.db2.gz ODKNKVDIZUZKGN-STQMWFEESA-N 1 0 258.365 2.161 10 30 CEEERO COc1cc(CC[NH3+])ccc1OCc1cccnc1C#N ZINC000061659819 522328878 /nfs/dbraw/zinc/32/88/78/522328878.db2.gz NNFHPKZXBMETQH-UHFFFAOYSA-N 1 0 283.331 2.042 10 30 CEEERO COCC1CC[NH+]([C@H](C)C[C@@](C)(C#N)NC(C)C)CC1 ZINC000068616641 522938389 /nfs/dbraw/zinc/93/83/89/522938389.db2.gz XTUZPOWSEDCTSM-ZBFHGGJFSA-N 1 0 281.444 2.404 10 30 CEEERO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#CCCO)cc1 ZINC000049614668 523351382 /nfs/dbraw/zinc/35/13/82/523351382.db2.gz HELKCHIDCVASGJ-QAPCUYQASA-N 1 0 287.403 2.420 10 30 CEEERO CC[C@H]1CO[C@H](C)CN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609847 523352366 /nfs/dbraw/zinc/35/23/66/523352366.db2.gz SHCOXBITNBIDJD-DYVFJYSZSA-N 1 0 290.382 2.135 10 30 CEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049614734 523507180 /nfs/dbraw/zinc/50/71/80/523507180.db2.gz BXFXDQORZXAKEY-MAUKXSAKSA-N 1 0 287.403 2.420 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CSc1nncs1 ZINC000049611421 523516244 /nfs/dbraw/zinc/51/62/44/523516244.db2.gz VOHSSQNWDFBCAR-UHFFFAOYSA-N 1 0 291.401 2.149 10 30 CEEERO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049614729 523517051 /nfs/dbraw/zinc/51/70/51/523517051.db2.gz BXFXDQORZXAKEY-CRAIPNDOSA-N 1 0 287.403 2.420 10 30 CEEERO COc1ccc(C#CCO)cc1C[N@H+](C)CC(C)C ZINC000049617764 523517709 /nfs/dbraw/zinc/51/77/09/523517709.db2.gz JQRUPYJZQMBHRQ-UHFFFAOYSA-N 1 0 261.365 2.127 10 30 CEEERO C[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3)[C@@H]1C[NH3+] ZINC000070178426 524106892 /nfs/dbraw/zinc/10/68/92/524106892.db2.gz ZXCVMRJFXNPRLY-BLLLJJGKSA-N 1 0 284.407 2.396 10 30 CEEERO Cc1cc(C)c(C#N)c(N2CCCC[C@@H]2[C@@H](C)[NH3+])n1 ZINC000063196824 524213578 /nfs/dbraw/zinc/21/35/78/524213578.db2.gz JJFYKHCFMAVVDD-TZMCWYRMSA-N 1 0 258.369 2.276 10 30 CEEERO C[C@@H]1CC[N@H+](CCOc2ccc(C#CCCO)cc2)C1 ZINC000049613581 524503189 /nfs/dbraw/zinc/50/31/89/524503189.db2.gz GIIZPPWKUZJFTM-OAHLLOKOSA-N 1 0 273.376 2.141 10 30 CEEERO C[C@H](CNc1ccc(N)cc1C#N)C[NH+]1CCCC1 ZINC000062069842 524506064 /nfs/dbraw/zinc/50/60/64/524506064.db2.gz YCKABNNWWNKOBC-GFCCVEGCSA-N 1 0 258.369 2.284 10 30 CEEERO C[C@@H]1CC[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])cc1C#N ZINC000070183287 524673124 /nfs/dbraw/zinc/67/31/24/524673124.db2.gz YVSIXNRAHGSLNZ-GHMZBOCLSA-N 1 0 274.324 2.030 10 30 CEEERO Cc1ccc(F)c(NC(=O)c2cncc(C#CC[NH3+])c2)c1 ZINC000049629527 524823645 /nfs/dbraw/zinc/82/36/45/524823645.db2.gz VGOOKMQRNRWBLM-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[C@H]([NH3+])[C@H](c1ccncc1)N(C)c1cccc(C#N)c1 ZINC000061950337 524854272 /nfs/dbraw/zinc/85/42/72/524854272.db2.gz BUOSYMJQHFMSEW-BLLLJJGKSA-N 1 0 266.348 2.478 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C#N)cc1F ZINC000063194886 524856651 /nfs/dbraw/zinc/85/66/51/524856651.db2.gz ILZWRBXLGXELJD-XHDPSFHLSA-N 1 0 261.344 2.399 10 30 CEEERO C[C@@H](NC(=O)c1ccco1)c1cccc(C#CC[NH3+])c1 ZINC000049587138 525358199 /nfs/dbraw/zinc/35/81/99/525358199.db2.gz KKLHQWNKXNXIFK-GFCCVEGCSA-N 1 0 268.316 2.081 10 30 CEEERO C[C@H](C#N)Oc1cc(C[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000050517224 525924528 /nfs/dbraw/zinc/92/45/28/525924528.db2.gz ZYAKVURXXPBRTP-SECBINFHSA-N 1 0 261.281 2.138 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000054309056 525999345 /nfs/dbraw/zinc/99/93/45/525999345.db2.gz SHTIPLQOUWRSNO-ZDUSSCGKSA-N 1 0 257.337 2.195 10 30 CEEERO Cc1ccc(C#N)cc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000070256056 526002682 /nfs/dbraw/zinc/00/26/82/526002682.db2.gz GNDBXAUKNVJDNG-ZDUSSCGKSA-N 1 0 269.348 2.195 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)C2CCC2)c1 ZINC000061691991 527150869 /nfs/dbraw/zinc/15/08/69/527150869.db2.gz GLAQGPNBTOCIJU-UHFFFAOYSA-N 1 0 262.740 2.389 10 30 CEEERO [NH3+]CC#Cc1cccc(COc2ccccc2[N+](=O)[O-])c1 ZINC000049611128 527153224 /nfs/dbraw/zinc/15/32/24/527153224.db2.gz KOEFUOQQEHTUIP-UHFFFAOYSA-N 1 0 282.299 2.484 10 30 CEEERO Cn1cc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccc(C#N)cc2)cn1 ZINC000245952519 527297563 /nfs/dbraw/zinc/29/75/63/527297563.db2.gz BHQOCBNQENRZNB-DLBZAZTESA-N 1 0 296.374 2.162 10 30 CEEERO CC[NH2+]CC1CCN(c2nc3c(cc2C#N)CCC3)CC1 ZINC000130015216 535461987 /nfs/dbraw/zinc/46/19/87/535461987.db2.gz ZAALQBDSWVVPBK-UHFFFAOYSA-N 1 0 284.407 2.268 10 30 CEEERO FC1(F)[C@@H]2C[NH2+]C[C@H]2C(F)(F)C(F)(F)C1(F)F ZINC000669371729 570350684 /nfs/dbraw/zinc/35/06/84/570350684.db2.gz VOIAYICARKFWSA-QWWZWVQMSA-N 1 0 269.135 2.377 10 30 CEEERO C#CCCCCNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000160293078 623026265 /nfs/dbraw/zinc/02/62/65/623026265.db2.gz VMUMTCIMASBGIM-OAHLLOKOSA-N 1 0 279.428 2.210 10 30 CEEERO C[NH2+][C@H](C)CNc1ccc(C#N)cc1Br ZINC000261537062 623325070 /nfs/dbraw/zinc/32/50/70/623325070.db2.gz USAWCJOCGYOPEL-MRVPVSSYSA-N 1 0 268.158 2.341 10 30 CEEERO C[C@H]([NH3+])C1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000235478192 624728891 /nfs/dbraw/zinc/72/88/91/624728891.db2.gz LHZYEDYAFYUEBA-ZETCQYMHSA-N 1 0 270.789 2.232 10 30 CEEERO N#Cc1sc(NCC2CC[NH2+]CC2)nc1Cl ZINC000236075717 625865683 /nfs/dbraw/zinc/86/56/83/625865683.db2.gz VVZCJPBAGZIUIU-UHFFFAOYSA-N 1 0 256.762 2.080 10 30 CEEERO C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000093216192 628603445 /nfs/dbraw/zinc/60/34/45/628603445.db2.gz CTGCCKVWLYFQBF-OLZOCXBDSA-N 1 0 266.385 2.435 10 30 CEEERO C[C@@H]1CN(c2ccc(C#N)cc2Br)C[C@H]1[NH3+] ZINC000261532973 628935759 /nfs/dbraw/zinc/93/57/59/628935759.db2.gz FCTCPWVJPPXWQX-LDYMZIIASA-N 1 0 280.169 2.104 10 30 CEEERO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(C#N)cc1Br ZINC000261576022 628940998 /nfs/dbraw/zinc/94/09/98/628940998.db2.gz KAXZBIUDJLULRD-LDYMZIIASA-N 1 0 280.169 2.247 10 30 CEEERO COC(=O)[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000229190480 639680778 /nfs/dbraw/zinc/68/07/78/639680778.db2.gz NUKLFQHVSUXXFA-WFASDCNBSA-N 1 0 272.348 2.108 10 30 CEEERO N#Cc1ccc(-c2nc(C[C@@H]3CCC[NH2+]C3)no2)cc1 ZINC000063084622 639823496 /nfs/dbraw/zinc/82/34/96/639823496.db2.gz AAZDFDROEHDDOM-LBPRGKRZSA-N 1 0 268.320 2.150 10 30 CEEERO CCCCCCC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000173451004 639857595 /nfs/dbraw/zinc/85/75/95/639857595.db2.gz GKFZAJUOPKMPAT-OAHLLOKOSA-N 1 0 256.434 2.345 10 30 CEEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCC#N ZINC000089147986 640090619 /nfs/dbraw/zinc/09/06/19/640090619.db2.gz QCRQHVYBQYANRS-NWDGAFQWSA-N 1 0 267.373 2.183 10 30 CEEERO CC[C@@H]1CN(c2nc(Cl)c(C#N)s2)CC[C@@H]1[NH3+] ZINC000233938974 641346351 /nfs/dbraw/zinc/34/63/51/641346351.db2.gz GVDDXOKAOOBGLO-SFYZADRCSA-N 1 0 270.789 2.232 10 30 CEEERO C=C(C)C[N@@H+](C)Cn1cnc2c1ncnc2NC(C)C ZINC000182611791 641684784 /nfs/dbraw/zinc/68/47/84/641684784.db2.gz AZJWAUYPYCJUSP-UHFFFAOYSA-N 1 0 274.372 2.112 10 30 CEEERO CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C#N)CC[C@@H]1[NH3+] ZINC000122971095 648717552 /nfs/dbraw/zinc/71/75/52/648717552.db2.gz ABUMILFGWCCQJN-GWCFXTLKSA-N 1 0 274.324 2.030 10 30 CEEERO C=C(Br)CN1CCCC[C@H]1C[NH2+]CC ZINC000082646160 178141708 /nfs/dbraw/zinc/14/17/08/178141708.db2.gz GGEPNJIRJQOHEY-NSHDSACASA-N 1 0 261.207 2.359 10 30 CEEERO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000125171274 187172739 /nfs/dbraw/zinc/17/27/39/187172739.db2.gz GGSVAJIQBCMZSJ-HUUCEWRRSA-N 1 0 275.396 2.143 10 30 CEEERO CCc1nnc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c(C#N)c1CC ZINC000125483012 187187473 /nfs/dbraw/zinc/18/74/73/187187473.db2.gz KAWVPXZAUQFCCO-RYUDHWBXSA-N 1 0 287.411 2.273 10 30 CEEERO C#CCOC[C@H](O)C[N@@H+](CCC)Cc1ccc(C)s1 ZINC000096230615 539297980 /nfs/dbraw/zinc/29/79/80/539297980.db2.gz QUEMWAISJFLTDZ-CQSZACIVSA-N 1 0 281.421 2.279 10 30 CEEERO CCC([NH3+])(CC)CNc1cccc(C#N)c1[N+](=O)[O-] ZINC000126658488 187253734 /nfs/dbraw/zinc/25/37/34/187253734.db2.gz ZVXKHBSMJAMOQM-UHFFFAOYSA-N 1 0 262.313 2.396 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[NH2+]2)c1 ZINC000124860963 344317294 /nfs/dbraw/zinc/31/72/94/344317294.db2.gz NBHHLRLHHVDCNY-LLVKDONJSA-N 1 0 260.297 2.020 10 30 CEEERO N#Cc1cccnc1N1CCc2ccccc2[C@H]1C[NH3+] ZINC000136213801 344384184 /nfs/dbraw/zinc/38/41/84/344384184.db2.gz XYMYHKBALQVRBG-OAHLLOKOSA-N 1 0 264.332 2.016 10 30 CEEERO C[NH+]1CCN(c2cncc(C#C[Si](C)(C)C)c2)CC1 ZINC000208796606 344529782 /nfs/dbraw/zinc/52/97/82/344529782.db2.gz KFLBPSBNAWTRTO-UHFFFAOYSA-N 1 0 273.456 2.062 10 30 CEEERO CCC[C@H]1C[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000233406759 344581670 /nfs/dbraw/zinc/58/16/70/344581670.db2.gz LCXHDMYUCXGAFO-ZFWWWQNUSA-N 1 0 292.404 2.110 10 30 CEEERO C[C@H]([NH3+])c1cc(Br)ccc1OCC#N ZINC000052066580 362463948 /nfs/dbraw/zinc/46/39/48/362463948.db2.gz SAAGFKOFRHCTMF-ZETCQYMHSA-N 1 0 255.115 2.371 10 30 CEEERO C[N@H+](CC1CC1)C[C@@H]1CN(c2ccc(C#N)cc2)CCO1 ZINC000328637751 344757137 /nfs/dbraw/zinc/75/71/37/344757137.db2.gz OTWTWEXKBCKHAB-QGZVFWFLSA-N 1 0 285.391 2.105 10 30 CEEERO N#Cc1cncc(N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000401492860 344868428 /nfs/dbraw/zinc/86/84/28/344868428.db2.gz ZLTMSWRDEWNGGT-CQSZACIVSA-N 1 0 267.336 2.240 10 30 CEEERO CN(Cc1cc(C#N)ccc1F)C(=O)CC1([NH3+])CCCC1 ZINC000084181655 178816399 /nfs/dbraw/zinc/81/63/99/178816399.db2.gz BDMUQIAUYFFMSZ-UHFFFAOYSA-N 1 0 289.354 2.317 10 30 CEEERO CCCN[C@@](C)(C#N)C[C@@H](C)[N@H+](CC)[C@@H](C)COC ZINC000084293229 178845119 /nfs/dbraw/zinc/84/51/19/178845119.db2.gz MQBOUQVFEMYYSV-QLFBSQMISA-N 1 0 269.433 2.404 10 30 CEEERO N#Cc1ccc(NCC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC000594691973 345672706 /nfs/dbraw/zinc/67/27/06/345672706.db2.gz GAEIMTDKWZADOW-UHFFFAOYSA-N 1 0 260.297 2.150 10 30 CEEERO C[NH2+]C[C@@H](C)Nc1ccc(C#N)cc1Br ZINC000596031205 345926473 /nfs/dbraw/zinc/92/64/73/345926473.db2.gz BYJNFRVRSJLZRR-MRVPVSSYSA-N 1 0 268.158 2.341 10 30 CEEERO N#CCCN(C(=O)[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000085357545 179030873 /nfs/dbraw/zinc/03/08/73/179030873.db2.gz CUGZAHQLKILSNN-ZIAGYGMSSA-N 1 0 257.337 2.061 10 30 CEEERO N#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085362978 179034543 /nfs/dbraw/zinc/03/45/43/179034543.db2.gz FRZWXFQJOIPULC-KGLIPLIRSA-N 1 0 273.336 2.045 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000085369341 179039150 /nfs/dbraw/zinc/03/91/50/179039150.db2.gz OMZQVFKKCUFZTD-UONOGXRCSA-N 1 0 275.352 2.039 10 30 CEEERO N#Cc1cc(NCCOCCC[NH3+])ccc1C(F)(F)F ZINC000600954441 346716203 /nfs/dbraw/zinc/71/62/03/346716203.db2.gz CBYMEXKOWSLIFL-UHFFFAOYSA-N 1 0 287.285 2.354 10 30 CEEERO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Br)cc1C#N ZINC000600957688 346717954 /nfs/dbraw/zinc/71/79/54/346717954.db2.gz SOLISYJASWONOH-GZMMTYOYSA-N 1 0 280.169 2.483 10 30 CEEERO C[C@H]1CN(c2cccc(Br)c2C#N)C[C@@H]1C[NH3+] ZINC000600960468 346718551 /nfs/dbraw/zinc/71/85/51/346718551.db2.gz ADPYTAFDEVSGDU-UWVGGRQHSA-N 1 0 294.196 2.352 10 30 CEEERO CCOC(=O)C1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000336814031 365855406 /nfs/dbraw/zinc/85/54/06/365855406.db2.gz WESOTCZVKKSBKZ-FKZOYECMSA-N 1 0 264.369 2.390 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2cccc(C#CC[NH3+])c2)[C@@H]1C ZINC000086081142 179227260 /nfs/dbraw/zinc/22/72/60/179227260.db2.gz YZQRJEVCKNSPLN-IOASZLSFSA-N 1 0 270.376 2.161 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2ccc(F)cc2C#CC[NH3+])[C@@H]1C ZINC000086081138 179227358 /nfs/dbraw/zinc/22/73/58/179227358.db2.gz KWKLFJHTTHVLGF-HSMVNMDESA-N 1 0 288.366 2.300 10 30 CEEERO N#CC1(c2ccccc2)CC([NH2+]C2CCOCC2)C1 ZINC000086036885 179221492 /nfs/dbraw/zinc/22/14/92/179221492.db2.gz UJGUOLJURUQSQJ-UHFFFAOYSA-N 1 0 256.349 2.379 10 30 CEEERO C#CCN1C[C@@H](Cc2ccccc2)[NH2+]C[C@H]1C(C)C ZINC000086171767 179243481 /nfs/dbraw/zinc/24/34/81/179243481.db2.gz PJBLTEVLCXCDSZ-SJORKVTESA-N 1 0 256.393 2.161 10 30 CEEERO CC(C)([NH3+])C(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000087627668 179458541 /nfs/dbraw/zinc/45/85/41/179458541.db2.gz ZMQUZYWSBLKDLS-UHFFFAOYSA-N 1 0 290.323 2.168 10 30 CEEERO C[NH2+]C1(CC(=O)N(C)[C@H](C)CC#N)CCCCC1 ZINC000087577844 179449425 /nfs/dbraw/zinc/44/94/25/179449425.db2.gz GKGSACVCCNVSFB-GFCCVEGCSA-N 1 0 251.374 2.059 10 30 CEEERO N#Cc1ccsc1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000087618522 179456367 /nfs/dbraw/zinc/45/63/67/179456367.db2.gz KBNYKYOHYQTNHQ-CYBMUJFWSA-N 1 0 283.356 2.445 10 30 CEEERO N#Cc1cccc([C@H]2CN(CC[NH3+])c3ccccc3N2)c1 ZINC000616685664 348560308 /nfs/dbraw/zinc/56/03/08/348560308.db2.gz RQLPFHQGUWTETO-MRXNPFEDSA-N 1 0 278.359 2.490 10 30 CEEERO CN(C(=O)C#Cc1ccccc1)[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000089132069 179713433 /nfs/dbraw/zinc/71/34/33/179713433.db2.gz PGHLGJASGKOGNK-HZPDHXFCSA-N 1 0 270.376 2.014 10 30 CEEERO Cc1ccc(C#N)c(OC[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000089538186 179813551 /nfs/dbraw/zinc/81/35/51/179813551.db2.gz XEYHTJWDDRYKNC-TZMCWYRMSA-N 1 0 259.353 2.406 10 30 CEEERO CC(C)([NH3+])CSCC(=O)N(CC#N)c1ccccc1 ZINC000090358396 179976233 /nfs/dbraw/zinc/97/62/33/179976233.db2.gz JKWZFPJZVJAICV-UHFFFAOYSA-N 1 0 277.393 2.014 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@@]1(C)COC[C@@H]1[NH3+] ZINC000090589681 180010621 /nfs/dbraw/zinc/01/06/21/180010621.db2.gz AEMNADLUUQSHEZ-ZFWWWQNUSA-N 1 0 292.404 2.267 10 30 CEEERO C#CCNC(=O)[C@@H](C)Sc1cccc(C[NH2+]CC)c1 ZINC000090871246 180049073 /nfs/dbraw/zinc/04/90/73/180049073.db2.gz TXNZREKGCDRPFL-GFCCVEGCSA-N 1 0 276.405 2.026 10 30 CEEERO N#Cc1ccc(Cl)cc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000091134797 180103799 /nfs/dbraw/zinc/10/37/99/180103799.db2.gz DKMRNBHVWNPLQW-LLVKDONJSA-N 1 0 295.795 2.245 10 30 CEEERO CCCN[C@](C)(C#N)C[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000091428852 180152990 /nfs/dbraw/zinc/15/29/90/180152990.db2.gz SBUOBAUXFAFAOA-PMPSAXMXSA-N 1 0 280.460 2.073 10 30 CEEERO Cc1cc(NC(=O)c2ccncc2C#CC[NH3+])ccc1F ZINC000091463024 180162692 /nfs/dbraw/zinc/16/26/92/180162692.db2.gz WIBISUVLORKXFA-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO CC1(C)C(C(=O)NCc2cccc(C#CC[NH3+])c2)C1(C)C ZINC000091493004 180170751 /nfs/dbraw/zinc/17/07/51/180170751.db2.gz MDHVYSSDVMKFJC-UHFFFAOYSA-N 1 0 284.403 2.295 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091547299 180187554 /nfs/dbraw/zinc/18/75/54/180187554.db2.gz HHEXLNBGWWHFIA-STQMWFEESA-N 1 0 287.363 2.435 10 30 CEEERO C=CCCCOCCn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000091842171 180269141 /nfs/dbraw/zinc/26/91/41/180269141.db2.gz RTGHSFCUIIGADA-UHFFFAOYSA-N 1 0 266.389 2.149 10 30 CEEERO Cc1cc(C#CC[NH3+])ccc1NC(=O)N1CCCCC1 ZINC000091969677 180294990 /nfs/dbraw/zinc/29/49/90/180294990.db2.gz XHDOISJSBHTYFP-UHFFFAOYSA-N 1 0 271.364 2.323 10 30 CEEERO N#C[C@]1([C@]2(O)CC[N@@H+](C3CC3)C2)CCc2ccccc2C1 ZINC000091878823 180279015 /nfs/dbraw/zinc/27/90/15/180279015.db2.gz YONZAWPXLAJEAR-ROUUACIJSA-N 1 0 282.387 2.284 10 30 CEEERO C=C(C)C[C@H]([NH2+]CC)[C@@](C)(CC)N1CCOCC1 ZINC000092130172 180329820 /nfs/dbraw/zinc/32/98/20/180329820.db2.gz VGEVDOPAZLEKSU-LSDHHAIUSA-N 1 0 254.418 2.432 10 30 CEEERO N#Cc1ccc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)cc1Cl ZINC000092201894 180343074 /nfs/dbraw/zinc/34/30/74/180343074.db2.gz RZOZUUPHGADEKU-WCBMZHEXSA-N 1 0 261.712 2.054 10 30 CEEERO N#Cc1ccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c(C(F)(F)F)c1 ZINC000092202822 180343425 /nfs/dbraw/zinc/34/34/25/180343425.db2.gz LAUAXWHNYNQRSN-ZJUUUORDSA-N 1 0 295.264 2.419 10 30 CEEERO Cc1sc(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c(C#N)c1C ZINC000092206785 180344365 /nfs/dbraw/zinc/34/43/65/180344365.db2.gz WWUDJAZOYGCLQB-VHSXEESVSA-N 1 0 261.350 2.079 10 30 CEEERO N#CCN1CC[NH+](C[C@H]2CSc3ccccc32)CC1 ZINC000092275900 180356203 /nfs/dbraw/zinc/35/62/03/180356203.db2.gz PDPCCQWDQWWPBD-ZDUSSCGKSA-N 1 0 273.405 2.017 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000092473873 180394063 /nfs/dbraw/zinc/39/40/63/180394063.db2.gz YWERZNZBFWMPLY-GFCCVEGCSA-N 1 0 280.368 2.254 10 30 CEEERO CCN(c1ccc([N+](=O)[O-])cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000110947353 186335856 /nfs/dbraw/zinc/33/58/56/186335856.db2.gz MUGRELLXQJHHKB-ZDUSSCGKSA-N 1 0 274.324 2.045 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1cc(C)ccc1[C@@H](C)[NH2+]C ZINC000110959857 186336949 /nfs/dbraw/zinc/33/69/49/186336949.db2.gz JJHGZRGHDPPXOX-CHWSQXEVSA-N 1 0 276.380 2.345 10 30 CEEERO CC[C@H]1C[N@H+](CCC[C@@](C)(C#N)NC(C)C)CCN1C ZINC000110737306 186318501 /nfs/dbraw/zinc/31/85/01/186318501.db2.gz PTQMLELUOWDXLU-HOTGVXAUSA-N 1 0 280.460 2.073 10 30 CEEERO C[C@H]1CCC[C@@]([NH3+])(c2noc(-c3ccc(C#N)cn3)n2)C1 ZINC000111283927 186389939 /nfs/dbraw/zinc/38/99/39/186389939.db2.gz BPZRDTDZMVHQGD-BONVTDFDSA-N 1 0 283.335 2.367 10 30 CEEERO CN(C)c1ccc(NC(=O)c2sccc2C#CC[NH3+])cc1 ZINC000111540756 186427431 /nfs/dbraw/zinc/42/74/31/186427431.db2.gz GIGJHGHFVZBSAT-UHFFFAOYSA-N 1 0 299.399 2.377 10 30 CEEERO Cc1cc(NCC2CC[NH+](C)CC2)c(C#N)c(C)n1 ZINC000123108072 187071692 /nfs/dbraw/zinc/07/16/92/187071692.db2.gz CGKHEQKIAREWBB-UHFFFAOYSA-N 1 0 258.369 2.324 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CCC[C@@H](C[NH3+])C1 ZINC000044532110 283242390 /nfs/dbraw/zinc/24/23/90/283242390.db2.gz QRAVCQRRIOKJMI-LBPRGKRZSA-N 1 0 266.348 2.282 10 30 CEEERO C=CCOc1ccccc1OC[C@@H](O)C[NH2+]C(C)(C)C ZINC000139967599 366558931 /nfs/dbraw/zinc/55/89/31/366558931.db2.gz PWJVZYMAABKGAO-ZDUSSCGKSA-N 1 0 279.380 2.379 10 30 CEEERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000180125341 189238350 /nfs/dbraw/zinc/23/83/50/189238350.db2.gz TYDYECGLPYHCJP-CYBMUJFWSA-N 1 0 270.336 2.321 10 30 CEEERO CCO[C@@H](C(=[NH2+])NCCCOC)c1ccccc1 ZINC000001997993 361225034 /nfs/dbraw/zinc/22/50/34/361225034.db2.gz BBQNGOYFTFLRQE-CYBMUJFWSA-N 1 0 250.342 2.158 10 30 CEEERO CC(C)C[N@@H+]1CCCC[C@@H]1CNc1ccc(C#N)nn1 ZINC000301946347 201271932 /nfs/dbraw/zinc/27/19/32/201271932.db2.gz HAKNIPUKVKIZGZ-CQSZACIVSA-N 1 0 273.384 2.271 10 30 CEEERO CN(c1ccc(C#N)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000094592163 364281950 /nfs/dbraw/zinc/28/19/50/364281950.db2.gz ZKBCTGACNDYJKH-ONXXMXGDSA-N 1 0 286.335 2.186 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)c(C#N)c1 ZINC000120938069 365499177 /nfs/dbraw/zinc/49/91/77/365499177.db2.gz BBJCIQFWUIKUQV-IUODEOHRSA-N 1 0 273.355 2.366 10 30 CEEERO COCC[NH+]1CCC(CNc2ccc(C)c(C#N)n2)CC1 ZINC000302604114 201488396 /nfs/dbraw/zinc/48/83/96/201488396.db2.gz CSMUFHSBIYFMMF-UHFFFAOYSA-N 1 0 288.395 2.032 10 30 CEEERO CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)CC2 ZINC000193089107 369890398 /nfs/dbraw/zinc/89/03/98/369890398.db2.gz OJNJSICEXBFZDH-MELADBBJSA-N 1 0 287.411 2.388 10 30 CEEERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCc1ccc(C#N)cc1 ZINC000247255813 371083920 /nfs/dbraw/zinc/08/39/20/371083920.db2.gz NTJNDKAUAJKDBB-YOEHRIQHSA-N 1 0 297.402 2.186 10 30 CEEERO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000249880094 371368536 /nfs/dbraw/zinc/36/85/36/371368536.db2.gz NCULUHUDAHPRGQ-OLZOCXBDSA-N 1 0 293.436 2.322 10 30 CEEERO N#Cc1cccc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000382443180 375186425 /nfs/dbraw/zinc/18/64/25/375186425.db2.gz HGXSKFWTSDSLIJ-GHMZBOCLSA-N 1 0 260.297 2.148 10 30 CEEERO C=CCC(C)(C)C[NH2+]C[C@@H](O)COCc1ccco1 ZINC000389070004 375298062 /nfs/dbraw/zinc/29/80/62/375298062.db2.gz WIIMBLPPIPWECV-CYBMUJFWSA-N 1 0 267.369 2.349 10 30 CEEERO C[C@H](C#N)C(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309712553 376603385 /nfs/dbraw/zinc/60/33/85/376603385.db2.gz KOKNQQUKZQQLGQ-XLNGHYISSA-N 1 0 297.402 2.173 10 30 CEEERO C[C@@H](C[NH3+])CNc1ccc(Br)cc1C#N ZINC000308996043 376588077 /nfs/dbraw/zinc/58/80/77/376588077.db2.gz PQDIXUZHXJTPEN-QMMMGPOBSA-N 1 0 268.158 2.327 10 30 CEEERO CCc1nnc(N[C@H](C)C[C@@H](C)[NH3+])c(C#N)c1CC ZINC000320652274 376826962 /nfs/dbraw/zinc/82/69/62/376826962.db2.gz GUKJQYCPEPLXED-NXEZZACHSA-N 1 0 261.373 2.011 10 30 CEEERO C=C(C)CN(CC)S(=O)(=O)Cc1ccc(C[NH2+]C)cc1 ZINC000088929551 184614125 /nfs/dbraw/zinc/61/41/25/184614125.db2.gz BUMTUMALQLVTHM-UHFFFAOYSA-N 1 0 296.436 2.134 10 30 CEEERO N#Cc1ccc(NC(=O)OC2CCC([NH3+])CC2)cc1 ZINC000092743661 184624211 /nfs/dbraw/zinc/62/42/11/184624211.db2.gz BOYRNQAFCHSTFU-UHFFFAOYSA-N 1 0 259.309 2.377 10 30 CEEERO N#Cc1ccc(O[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000093220046 184656636 /nfs/dbraw/zinc/65/66/36/184656636.db2.gz DMSRAEZVRPZPPX-QWRGUYRKSA-N 1 0 261.281 2.115 10 30 CEEERO C=CCN1C(=[NH2+])NC[C@H]1c1ccc(OC(C)C)cc1 ZINC000093375228 184667936 /nfs/dbraw/zinc/66/79/36/184667936.db2.gz RUHWQMOTFSZGCT-AWEZNQCLSA-N 1 0 259.353 2.331 10 30 CEEERO CC(C)[NH2+]Cc1ccc(OCc2ccnc(C#N)c2)cn1 ZINC000094210848 184762851 /nfs/dbraw/zinc/76/28/51/184762851.db2.gz YRCMZMWVMYUAMP-UHFFFAOYSA-N 1 0 282.347 2.425 10 30 CEEERO N#Cc1cccc(COc2ccc(CC[NH3+])nc2)c1 ZINC000094215144 184763589 /nfs/dbraw/zinc/76/35/89/184763589.db2.gz CZWFYHIHQSSJOI-UHFFFAOYSA-N 1 0 253.305 2.033 10 30 CEEERO C(#CCN1CC[NH2+]CC1)Cc1nc(-c2ccccc2)cs1 ZINC000094257061 184770595 /nfs/dbraw/zinc/77/05/95/184770595.db2.gz POIQJDLFBCIELS-UHFFFAOYSA-N 1 0 297.427 2.261 10 30 CEEERO N#CC1CC[NH+]([C@@H]2CCO[C@]3(CCSC3)C2)CC1 ZINC000094375668 184791180 /nfs/dbraw/zinc/79/11/80/184791180.db2.gz JBLRYVWWMMFNMB-ZIAGYGMSSA-N 1 0 266.410 2.277 10 30 CEEERO CCOCCC(=O)Nc1ccc(Cl)c(C#CC[NH3+])c1 ZINC000094671624 184838169 /nfs/dbraw/zinc/83/81/69/184838169.db2.gz ARBOIGJABGNIPV-UHFFFAOYSA-N 1 0 280.755 2.015 10 30 CEEERO Cc1cc(N2CC[NH+](CC3CC3)CC2)ccc1C#N ZINC000089065385 135057695 /nfs/dbraw/zinc/05/76/95/135057695.db2.gz CTQYBYFWWAKUAP-UHFFFAOYSA-N 1 0 255.365 2.399 10 30 CEEERO N#Cc1ccc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000261593254 394603412 /nfs/dbraw/zinc/60/34/12/394603412.db2.gz ZBVNESICMXCNDM-ZKYQVNSYSA-N 1 0 261.756 2.385 10 30 CEEERO N#Cc1ccc(C(F)(F)F)nc1N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261782585 394607438 /nfs/dbraw/zinc/60/74/38/394607438.db2.gz XCJXXULTODHMFK-AXFHLTTASA-N 1 0 296.296 2.146 10 30 CEEERO N#Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)cc1 ZINC000398795574 395238508 /nfs/dbraw/zinc/23/85/08/395238508.db2.gz PIDNNEWRBSEMEI-HRCADAONSA-N 1 0 256.349 2.151 10 30 CEEERO N#Cc1ccnnc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306757528 400336567 /nfs/dbraw/zinc/33/65/67/400336567.db2.gz SOSIFSUNTCMUJR-HNNXBMFYSA-N 1 0 279.347 2.035 10 30 CEEERO N#Cc1ccc(CCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000195075874 153277241 /nfs/dbraw/zinc/27/72/41/153277241.db2.gz QYBCJOIPSRVKHQ-QGZVFWFLSA-N 1 0 297.402 2.188 10 30 CEEERO Cc1nc(N2CCC([C@@H](C)[NH3+])CC2)c(Cl)cc1C#N ZINC000261611140 153786987 /nfs/dbraw/zinc/78/69/87/153786987.db2.gz SMGPQXXMLVTREH-SECBINFHSA-N 1 0 278.787 2.479 10 30 CEEERO N#Cc1cc(Br)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000165300295 162343304 /nfs/dbraw/zinc/34/33/04/162343304.db2.gz VXPGLFSXKZFIBP-NSHDSACASA-N 1 0 280.169 2.485 10 30 CEEERO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000173922309 287131761 /nfs/dbraw/zinc/13/17/61/287131761.db2.gz BNNFUUBFZGJQPP-YOEHRIQHSA-N 1 0 285.391 2.026 10 30 CEEERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000246940616 287229582 /nfs/dbraw/zinc/22/95/82/287229582.db2.gz KRZCLYRFIGKZCN-CVEARBPZSA-N 1 0 283.375 2.257 10 30 CEEERO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000020368212 171166277 /nfs/dbraw/zinc/16/62/77/171166277.db2.gz PKAAJYYKXFTJKH-YIUBPGBESA-N 1 0 288.435 2.319 10 30 CEEERO C=CCN(CC[NH3+])Cc1cccc(Br)c1 ZINC000032116313 171709520 /nfs/dbraw/zinc/70/95/20/171709520.db2.gz BGTYAVCTIMMKBL-UHFFFAOYSA-N 1 0 269.186 2.396 10 30 CEEERO N#Cc1c(NC(=O)c2ccoc2)sc2c1CC[NH2+]C2 ZINC000035248191 172078502 /nfs/dbraw/zinc/07/85/02/172078502.db2.gz KAJKIKJHXZCJFI-UHFFFAOYSA-N 1 0 273.317 2.111 10 30 CEEERO CCC(C)(C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000037853787 173805378 /nfs/dbraw/zinc/80/53/78/173805378.db2.gz SDTWXCZTKYXVNB-CYBMUJFWSA-N 1 0 262.353 2.076 10 30 CEEERO CCC[C@](C)([NH3+])C(=O)N(CC#N)Cc1ccccc1 ZINC000038101699 174117852 /nfs/dbraw/zinc/11/78/52/174117852.db2.gz NDQDZSHFFQPQPP-HNNXBMFYSA-N 1 0 259.353 2.056 10 30 CEEERO N#Cc1ccc(F)c(CN2[C@@H]3CC[C@H]2CC([NH3+])C3)c1 ZINC000040750343 174394885 /nfs/dbraw/zinc/39/48/85/174394885.db2.gz ORPUGRTXFYILPU-AGUYFDCRSA-N 1 0 259.328 2.151 10 30 CEEERO CC[NH+]1CCC(N(C)c2ccc(C#N)cc2N)CC1 ZINC000042614915 174828072 /nfs/dbraw/zinc/82/80/72/174828072.db2.gz AZSUTAIBYYFOQV-UHFFFAOYSA-N 1 0 258.369 2.061 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccncc1)N(CC)C[C@@H](C)C#N ZINC000043354549 175022277 /nfs/dbraw/zinc/02/22/77/175022277.db2.gz CQBGHPCLDGEVOW-QEJZJMRPSA-N 1 0 260.385 2.342 10 30 CEEERO C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745136 175241704 /nfs/dbraw/zinc/24/17/04/175241704.db2.gz FXKRKAJYIBBUOD-WBMJQRKESA-N 1 0 288.391 2.353 10 30 CEEERO CCCC(C#N)(CCC)C(=O)N1CCC[N@H+](C)CC1 ZINC000044813460 175258046 /nfs/dbraw/zinc/25/80/46/175258046.db2.gz UIGLKNIGPOUNGG-UHFFFAOYSA-N 1 0 265.401 2.261 10 30 CEEERO CCN[C@@](C)(C#N)CC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045182595 175325495 /nfs/dbraw/zinc/32/54/95/175325495.db2.gz RTSYSQXAVXRXRC-DZGCQCFKSA-N 1 0 267.417 2.015 10 30 CEEERO CCN[C@](C)(C#N)CCCC[NH+]1CCC(OC)CC1 ZINC000045310329 175356789 /nfs/dbraw/zinc/35/67/89/175356789.db2.gz NXYQKKZGDIHADV-HNNXBMFYSA-N 1 0 267.417 2.159 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](C)[C@@H](C)COC ZINC000045314599 175357175 /nfs/dbraw/zinc/35/71/75/175357175.db2.gz WBESXGDPVHZEAA-KBPBESRZSA-N 1 0 255.406 2.015 10 30 CEEERO CC(C)N[C@@](C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1 ZINC000045311928 175357285 /nfs/dbraw/zinc/35/72/85/175357285.db2.gz IITXZSILZNBZDP-OAHLLOKOSA-N 1 0 267.417 2.158 10 30 CEEERO CC[C@@H]1COCC[N@@H+]1CCC[C@@](C)(C#N)NC(C)C ZINC000045312034 175357320 /nfs/dbraw/zinc/35/73/20/175357320.db2.gz DKEHJLLTLKWFPI-CABCVRRESA-N 1 0 267.417 2.158 10 30 CEEERO CC[N@H+](CCC[C@@](C)(C#N)NC(C)C)[C@@H](C)COC ZINC000045314225 175357592 /nfs/dbraw/zinc/35/75/92/175357592.db2.gz UUJYBFIKFWOLCD-GJZGRUSLSA-N 1 0 269.433 2.404 10 30 CEEERO CCCN[C@](C)(C#N)CCC[N@H+](CCCOC)CCOC ZINC000045317018 175357958 /nfs/dbraw/zinc/35/79/58/175357958.db2.gz OUDGPQSUGWWIJY-INIZCTEOSA-N 1 0 299.459 2.033 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@H+](CC)CCOC ZINC000045316916 175357981 /nfs/dbraw/zinc/35/79/81/175357981.db2.gz LTZLTAOOXQUOMC-CQSZACIVSA-N 1 0 255.406 2.017 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@H+](CCCOC)CCOC ZINC000045317058 175358241 /nfs/dbraw/zinc/35/82/41/175358241.db2.gz UFEMDYTUWBFUMI-INIZCTEOSA-N 1 0 299.459 2.033 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@H+](C)C[C@@H]1CCCO1 ZINC000045316604 175358380 /nfs/dbraw/zinc/35/83/80/175358380.db2.gz XMMRBLWARWLVQH-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CCN[C@@](C)(C#N)CCC[N@H+](CCOC)[C@@H](C)C1CC1 ZINC000045317405 175358427 /nfs/dbraw/zinc/35/84/27/175358427.db2.gz ZUQSVSZGRMPFCJ-GOEBONIOSA-N 1 0 281.444 2.405 10 30 CEEERO CC[N@H+](CCC[C@@](C)(C#N)NC1CC1)C[C@@H]1CCCO1 ZINC000045315139 175358484 /nfs/dbraw/zinc/35/84/84/175358484.db2.gz QJNUOXATXYUCKH-HOTGVXAUSA-N 1 0 279.428 2.302 10 30 CEEERO CC[N@H+](CCCC[C@](C)(C#N)NC)C[C@@H]1CCCO1 ZINC000045315160 175358510 /nfs/dbraw/zinc/35/85/10/175358510.db2.gz CVBLOKZMYFBPQG-LSDHHAIUSA-N 1 0 267.417 2.159 10 30 CEEERO CCC(CC)[N@H+](CCC[C@](C)(C#N)NC)CCOC ZINC000045319527 175358896 /nfs/dbraw/zinc/35/88/96/175358896.db2.gz TWJCVKGGXLOPES-OAHLLOKOSA-N 1 0 269.433 2.405 10 30 CEEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC(=O)N(C)C1 ZINC000658239202 415270370 /nfs/dbraw/zinc/27/03/70/415270370.db2.gz BUVFONSXNZXFCG-MJBXVCDLSA-N 1 0 250.386 2.189 10 30 CEEERO COCCN(CCC#N)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000071222106 176087778 /nfs/dbraw/zinc/08/77/78/176087778.db2.gz ZNGCPVGBTMAXGK-AWEZNQCLSA-N 1 0 281.787 2.202 10 30 CEEERO CCOC(=O)CCCCC[NH+]1CCN([C@H](C#N)CC)CC1 ZINC000071297584 176112784 /nfs/dbraw/zinc/11/27/84/176112784.db2.gz ATKPUHVLUBXACG-HNNXBMFYSA-N 1 0 295.427 2.030 10 30 CEEERO CCCn1c(C[NH3+])nnc1SCC#Cc1ccccc1 ZINC000071375490 176140614 /nfs/dbraw/zinc/14/06/14/176140614.db2.gz NQINYNMTHDKBLA-UHFFFAOYSA-N 1 0 286.404 2.291 10 30 CEEERO N#Cc1cc2ccccc2nc1OC[C@@H]1CCC[NH2+]C1 ZINC000071386340 176147898 /nfs/dbraw/zinc/14/78/98/176147898.db2.gz SPRJKBCIXBTOFN-GFCCVEGCSA-N 1 0 267.332 2.485 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000662630786 415912937 /nfs/dbraw/zinc/91/29/37/415912937.db2.gz MZSFRXYLCCHWAO-BFHYXJOUSA-N 1 0 250.386 2.189 10 30 CEEERO C[N@@H+]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078834369 177396014 /nfs/dbraw/zinc/39/60/14/177396014.db2.gz AIZWJUXTAATYFJ-JTQLQIEISA-N 1 0 284.285 2.478 10 30 CEEERO C=CCOc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000237943611 260713708 /nfs/dbraw/zinc/71/37/08/260713708.db2.gz LCSIRAJVCNRBHJ-RYUDHWBXSA-N 1 0 260.337 2.317 10 30 CEEERO CC[C@H](C#N)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000370059471 267287023 /nfs/dbraw/zinc/28/70/23/267287023.db2.gz IOYRIRNNBOSGMJ-OCCSQVGLSA-N 1 0 263.385 2.202 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[C@H]1[NH3+] ZINC000251608257 274361079 /nfs/dbraw/zinc/36/10/79/274361079.db2.gz DJJJRVXNUZNAJG-BXUZGUMPSA-N 1 0 266.348 2.280 10 30 CEEERO Cc1nc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c(Cl)cc1C#N ZINC000261598707 274842046 /nfs/dbraw/zinc/84/20/46/274842046.db2.gz PHLSZOOVZNGVAV-GWCFXTLKSA-N 1 0 276.771 2.103 10 30 CEEERO N#Cc1cc(Br)cnc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000261555881 274919143 /nfs/dbraw/zinc/91/91/43/274919143.db2.gz QFUUMHXTOVDEKJ-KCJUWKMLSA-N 1 0 295.184 2.255 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CCCN(c2c(C#N)nnc3ccccc32)C1 ZINC000085921046 278317772 /nfs/dbraw/zinc/31/77/72/278317772.db2.gz SCIWHJNAWGMLBY-NEPJUHHUSA-N 1 0 281.363 2.065 10 30 CEEERO C[C@H]1CCCN(c2nccc(C#N)c2Cl)[C@@H]1C[NH3+] ZINC000235651744 278344563 /nfs/dbraw/zinc/34/45/63/278344563.db2.gz GSKYSPOEZZLDKG-GXSJLCMTSA-N 1 0 264.760 2.170 10 30 CEEERO C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)C[C@H]1[NH+](C)C ZINC000251855517 278811714 /nfs/dbraw/zinc/81/17/14/278811714.db2.gz RXRSPEAMBDBRGV-MLGOLLRUSA-N 1 0 284.407 2.218 10 30 CEEERO CCc1nnc(NCCC[NH2+]C(C)C)c(C#N)c1CC ZINC000566552270 299001551 /nfs/dbraw/zinc/00/15/51/299001551.db2.gz MELQFJBOFWGMPS-UHFFFAOYSA-N 1 0 275.400 2.273 10 30 CEEERO C[C@@H]([NH3+])[C@H](C)Nc1nc(C(F)(F)F)ccc1C#N ZINC000381859173 321837208 /nfs/dbraw/zinc/83/72/08/321837208.db2.gz ZYLVHIVNMULLGN-RQJHMYQMSA-N 1 0 258.247 2.120 10 30 CEEERO C[C@@H](C[NH3+])N(C)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000383019501 321844949 /nfs/dbraw/zinc/84/49/49/321844949.db2.gz NRWDLLFJRDNQKR-QMMMGPOBSA-N 1 0 257.259 2.360 10 30 CEEERO Cc1cc(C)cc(NC(=[NH2+])NCc2cnc(C)[nH]c2=O)c1 ZINC000262192779 330001618 /nfs/dbraw/zinc/00/16/18/330001618.db2.gz GGUWBERYWLWUNH-UHFFFAOYSA-N 1 0 285.351 2.034 10 30 CEEERO C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N[C@@H]1CCC[C@@H]1C#N ZINC000262363122 330010880 /nfs/dbraw/zinc/01/08/80/330010880.db2.gz HDJNAMFYXMYAEU-YYIAUSFCSA-N 1 0 296.418 2.475 10 30 CEEERO [NH2+]=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N1CCOCC1 ZINC000262454860 330014158 /nfs/dbraw/zinc/01/41/58/330014158.db2.gz RLECMIYAJJTEMI-GHMZBOCLSA-N 1 0 293.333 2.002 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCC[C@H]1O)N1CCC2(C1)CCCCC2 ZINC000262787533 330031572 /nfs/dbraw/zinc/03/15/72/330031572.db2.gz MZBCYJFIUKMHBX-LSDHHAIUSA-N 1 0 293.455 2.379 10 30 CEEERO CC[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1CCC[C@@H](C)C1 ZINC000262796142 330031952 /nfs/dbraw/zinc/03/19/52/330031952.db2.gz PNKOEMRKEMUXTB-BARDWOONSA-N 1 0 281.444 2.281 10 30 CEEERO CC[NH+]=C(NCC1CCSCC1)N[C@@H]1C[C@@H]1C ZINC000262812058 330033482 /nfs/dbraw/zinc/03/34/82/330033482.db2.gz UNSWDQVMGPKHND-CMPLNLGQSA-N 1 0 255.431 2.093 10 30 CEEERO [NH2+]=C(NCc1cnc(C2CC2)o1)N1CCCCCC1 ZINC000263090574 330043119 /nfs/dbraw/zinc/04/31/19/330043119.db2.gz IULDNIJLUDHBNN-UHFFFAOYSA-N 1 0 262.357 2.243 10 30 CEEERO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000248619356 334309241 /nfs/dbraw/zinc/30/92/41/334309241.db2.gz KMNBOBCRPPTTSV-MELADBBJSA-N 1 0 252.402 2.434 10 30 CEEERO C=CCNC(=O)C[C@@H](C[NH3+])c1ccccc1Cl ZINC000057539212 518899012 /nfs/dbraw/zinc/89/90/12/518899012.db2.gz WHLFDTDQFSQXDD-JTQLQIEISA-N 1 0 252.745 2.075 10 30 CEEERO CCCN[C@](C)(C#N)CCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000055070142 520101983 /nfs/dbraw/zinc/10/19/83/520101983.db2.gz YRQNMVZQJXXIQV-SJORKVTESA-N 1 0 294.487 2.465 10 30 CEEERO C#CCN1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000051016925 518267906 /nfs/dbraw/zinc/26/79/06/518267906.db2.gz CAZZEANLZVFRLO-UHFFFAOYSA-N 1 0 264.319 2.152 10 30 CEEERO C#Cc1cccc(NC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000061610991 518364217 /nfs/dbraw/zinc/36/42/17/518364217.db2.gz CQPVEEURZJFURT-MRXNPFEDSA-N 1 0 264.328 2.349 10 30 CEEERO C=C(Br)CN1CCC(CC[NH2+]C)CC1 ZINC000069730642 518581858 /nfs/dbraw/zinc/58/18/58/518581858.db2.gz WOKVLLVRRKKUAG-UHFFFAOYSA-N 1 0 261.207 2.217 10 30 CEEERO C=CCNC(=O)COc1cc(F)ccc1[C@@H](C)[NH2+]CC ZINC000062746953 518894487 /nfs/dbraw/zinc/89/44/87/518894487.db2.gz QAPXYTSMXZLDET-LLVKDONJSA-N 1 0 280.343 2.177 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH2+]C ZINC000062746241 518924794 /nfs/dbraw/zinc/92/47/94/518924794.db2.gz FHHWJQRAXVKOJM-MNOVXSKESA-N 1 0 280.343 2.176 10 30 CEEERO C=CCOc1ccc(CN(C)C(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000062894480 519032193 /nfs/dbraw/zinc/03/21/93/519032193.db2.gz IMPWRXXYFSMRPF-QGZVFWFLSA-N 1 0 288.391 2.209 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@H](C)C[NH3+] ZINC000054340143 519079980 /nfs/dbraw/zinc/07/99/80/519079980.db2.gz UFCAPSAOCXJLKZ-SNVBAGLBSA-N 1 0 250.367 2.498 10 30 CEEERO CC(C)N[C@@](C)(C#N)C[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000068616209 519735484 /nfs/dbraw/zinc/73/54/84/519735484.db2.gz GMFFVRIQBIIYPX-JKSUJKDBSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000068616002 520128763 /nfs/dbraw/zinc/12/87/63/520128763.db2.gz JYBYZBPWAKNAGY-IXDOHACOSA-N 1 0 292.471 2.217 10 30 CEEERO CCN[C@H](C#N)CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000062438711 520161172 /nfs/dbraw/zinc/16/11/72/520161172.db2.gz WCFXLJGRYTVMCG-HOTGVXAUSA-N 1 0 257.381 2.368 10 30 CEEERO CC[NH2+][C@H](C)CC(=O)N(C)Cc1cc(C#N)ccc1F ZINC000061272237 520161987 /nfs/dbraw/zinc/16/19/87/520161987.db2.gz BNONDDMILXBTRO-LLVKDONJSA-N 1 0 277.343 2.044 10 30 CEEERO CCCC[C@H](C[NH3+])Nc1nnc(CC)c(CC)c1C#N ZINC000160664705 521192001 /nfs/dbraw/zinc/19/20/01/521192001.db2.gz GQFMUFATJVXTOY-LLVKDONJSA-N 1 0 275.400 2.402 10 30 CEEERO CCN1CCC([N@H+](C)[C@@H](C)C[C@@](C)(C#N)NC2CC2)CC1 ZINC000068612909 521566408 /nfs/dbraw/zinc/56/64/08/521566408.db2.gz OLZZLDSLIHNRLJ-YOEHRIQHSA-N 1 0 292.471 2.215 10 30 CEEERO CCc1nnc(N(C)CC[C@H]([NH3+])C(C)C)c(C#N)c1CC ZINC000156783272 522757314 /nfs/dbraw/zinc/75/73/14/522757314.db2.gz ZDZSXJVRLWTEHI-AWEZNQCLSA-N 1 0 289.427 2.283 10 30 CEEERO CC[C@@H](NC(=O)c1ccc(C#CC[NH3+])cc1)C(C)C ZINC000049148546 522781428 /nfs/dbraw/zinc/78/14/28/522781428.db2.gz VMLVCCFQERBYTJ-OAHLLOKOSA-N 1 0 258.365 2.161 10 30 CEEERO CCn1c(C[NH3+])nnc1SCc1cc(F)ccc1C#N ZINC000069401172 523187435 /nfs/dbraw/zinc/18/74/35/523187435.db2.gz KBSRNOOHAVAFNA-UHFFFAOYSA-N 1 0 291.355 2.060 10 30 CEEERO C[N@@H+](Cc1cccc(C#CCO)c1)C[C@H]1CCCCO1 ZINC000049613705 523291963 /nfs/dbraw/zinc/29/19/63/523291963.db2.gz HDVMMEIYAQURLY-QGZVFWFLSA-N 1 0 273.376 2.031 10 30 CEEERO CC[C@H]1CO[C@@H](C)CN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609849 523342463 /nfs/dbraw/zinc/34/24/63/523342463.db2.gz SHCOXBITNBIDJD-GUYCJALGSA-N 1 0 290.382 2.135 10 30 CEEERO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C#CCCO ZINC000049614664 523344334 /nfs/dbraw/zinc/34/43/34/523344334.db2.gz BVYMEQXENTWXCA-YJBOKZPZSA-N 1 0 287.403 2.420 10 30 CEEERO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(C#CCCO)c1 ZINC000049614731 523352188 /nfs/dbraw/zinc/35/21/88/523352188.db2.gz BXFXDQORZXAKEY-QAPCUYQASA-N 1 0 287.403 2.420 10 30 CEEERO C[N@H+](Cc1ccncc1)Cc1ccccc1C#CCO ZINC000049613163 523461398 /nfs/dbraw/zinc/46/13/98/523461398.db2.gz PRKJQJOIKMJKCE-UHFFFAOYSA-N 1 0 266.344 2.057 10 30 CEEERO CC[C@@H]1CO[C@H](C)CN1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609850 523517602 /nfs/dbraw/zinc/51/76/02/523517602.db2.gz FDIGPPOLTGVVHK-CZUORRHYSA-N 1 0 290.382 2.135 10 30 CEEERO CC[C@]1(C(=O)Nc2ccccc2C#N)CCC[NH2+]C1 ZINC000062852454 523545757 /nfs/dbraw/zinc/54/57/57/523545757.db2.gz CBLOBMOBUJBPMH-HNNXBMFYSA-N 1 0 257.337 2.277 10 30 CEEERO COc1ccc(CC[NH2+]Cc2cccnc2C#N)cc1 ZINC000061656929 523976669 /nfs/dbraw/zinc/97/66/69/523976669.db2.gz WEVYMIFTVCZYAI-UHFFFAOYSA-N 1 0 267.332 2.294 10 30 CEEERO C[C@@H]1CCC[N@@H+]1CCOc1ccc(C#CCCO)cc1 ZINC000049615185 524261456 /nfs/dbraw/zinc/26/14/56/524261456.db2.gz HANQJHHGLOUCGA-OAHLLOKOSA-N 1 0 273.376 2.284 10 30 CEEERO C[C@]([NH3+])(C(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000052881191 525147168 /nfs/dbraw/zinc/14/71/68/525147168.db2.gz YQWQLRCADBVKBE-MRXNPFEDSA-N 1 0 265.316 2.371 10 30 CEEERO Cc1ccoc1C(=O)N(C)Cc1ccccc1C#CC[NH3+] ZINC000049586846 525776641 /nfs/dbraw/zinc/77/66/41/525776641.db2.gz OBQINCGNDJWHKV-UHFFFAOYSA-N 1 0 282.343 2.170 10 30 CEEERO Cc1ccc(C(=O)NCc2cccc(C#CC[NH3+])c2)s1 ZINC000049586542 526187665 /nfs/dbraw/zinc/18/76/65/526187665.db2.gz JYMNWFAJJLBQKG-UHFFFAOYSA-N 1 0 284.384 2.297 10 30 CEEERO Cc1nnc(N[C@@H](CC(C)C)C[NH+](C)C)c(C#N)c1C ZINC000049559983 526372342 /nfs/dbraw/zinc/37/23/42/526372342.db2.gz AGTWKPWPGIWBPH-ZDUSSCGKSA-N 1 0 275.400 2.353 10 30 CEEERO N#Cc1cc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000068757926 526548699 /nfs/dbraw/zinc/54/86/99/526548699.db2.gz NNEWFKBJTWODIU-HOTGVXAUSA-N 1 0 270.380 2.060 10 30 CEEERO N#Cc1cc([N+](=O)[O-])ccc1OCC[C@H]1CCCC[NH2+]1 ZINC000051870847 526577947 /nfs/dbraw/zinc/57/79/47/526577947.db2.gz YXMHGEZLRZPVRI-GFCCVEGCSA-N 1 0 275.308 2.377 10 30 CEEERO N#Cc1cccnc1N1CC[NH2+]Cc2ccccc21 ZINC000062819178 526753455 /nfs/dbraw/zinc/75/34/55/526753455.db2.gz QUXCRMFFBAJITH-UHFFFAOYSA-N 1 0 250.305 2.195 10 30 CEEERO N#Cc1ccsc1NC(=O)CC[C@H]1CCCC[NH2+]1 ZINC000050950451 526769095 /nfs/dbraw/zinc/76/90/95/526769095.db2.gz NBVWAVIFLGPHNR-LLVKDONJSA-N 1 0 263.366 2.481 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1COc1ccc(CO)cc1 ZINC000049611149 527148791 /nfs/dbraw/zinc/14/87/91/527148791.db2.gz UFVSBLLXDULCDC-UHFFFAOYSA-N 1 0 285.318 2.207 10 30 CEEERO [NH3+]CC#Cc1ccc(Cl)c(NC(=O)c2cccnc2)c1 ZINC000061691983 527150089 /nfs/dbraw/zinc/15/00/89/527150089.db2.gz NNDAKWCYIXYONB-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO [NH3+]CC#Cc1cccc(CNC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000049586467 527151206 /nfs/dbraw/zinc/15/12/06/527151206.db2.gz ZXMSSLBFNQVPNB-UAGQMJEPSA-N 1 0 282.387 2.049 10 30 CEEERO [NH3+]CC#Cc1ccc(NC(=O)CC[C@H]2CCCCO2)cc1 ZINC000069399451 527152540 /nfs/dbraw/zinc/15/25/40/527152540.db2.gz IVBNSJVPQVNYGS-MRXNPFEDSA-N 1 0 286.375 2.285 10 30 CEEERO [NH3+]CC#Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000049586352 527154692 /nfs/dbraw/zinc/15/46/92/527154692.db2.gz XFSZRSAUGJIJCU-YSVLISHTSA-N 1 0 282.387 2.049 10 30 CEEERO N#Cc1cnc2ccccc2c1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261751956 623377255 /nfs/dbraw/zinc/37/72/55/623377255.db2.gz TYZKZQFHDAYKHH-WFASDCNBSA-N 1 0 278.359 2.295 10 30 CEEERO C[NH2+]C[C@@H]1CCCCN1c1nc(Cl)c(C#N)s1 ZINC000234377906 623971163 /nfs/dbraw/zinc/97/11/63/623971163.db2.gz QHPISSPWLWSMLT-QMMMGPOBSA-N 1 0 270.789 2.246 10 30 CEEERO CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@H]1C#Cc1ccccc1 ZINC000035823656 361823407 /nfs/dbraw/zinc/82/34/07/361823407.db2.gz VKXYLXZLODSKCD-QZTJIDSGSA-N 1 0 296.414 2.371 10 30 CEEERO C[C@H]([NH3+])[C@H]1CCCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000124877429 365661517 /nfs/dbraw/zinc/66/15/17/365661517.db2.gz NOISOLDLLKGBDA-JQWIXIFHSA-N 1 0 274.324 2.030 10 30 CEEERO C#CCOc1ccc2ccccc2c1C[NH2+]C[C@@H](C)O ZINC000045946103 362171896 /nfs/dbraw/zinc/17/18/96/362171896.db2.gz PNEHQEOOLSFNQF-CYBMUJFWSA-N 1 0 269.344 2.322 10 30 CEEERO N#Cc1ccc2c(c1)CC[C@H]([NH+]1CCC3(CC1)OCCO3)C2 ZINC000036469870 343424112 /nfs/dbraw/zinc/42/41/12/343424112.db2.gz QIYQCEGCANMRCK-KRWDZBQOSA-N 1 0 298.386 2.254 10 30 CEEERO N#CC1(c2ccc(F)cc2)CCN(CCC[NH3+])CC1 ZINC000039080508 343435496 /nfs/dbraw/zinc/43/54/96/343435496.db2.gz UAIHIJUZHMMACW-UHFFFAOYSA-N 1 0 261.344 2.032 10 30 CEEERO CC[C@H]1CN(c2nc3c(cc2C#N)CCC3)CC[C@@H]1[NH3+] ZINC000122921148 344308136 /nfs/dbraw/zinc/30/81/36/344308136.db2.gz ZQLNTAIIXVNAPJ-FZMZJTMJSA-N 1 0 270.380 2.006 10 30 CEEERO c1ccc(CCOCC[NH+]2CCC3(CO3)CC2)cc1 ZINC000147785680 344412848 /nfs/dbraw/zinc/41/28/48/344412848.db2.gz XLRKIDWSRMRWJD-UHFFFAOYSA-N 1 0 261.365 2.111 10 30 CEEERO C[C@@H]([NH3+])[C@H]1CN(c2ccc(C(F)(F)F)cc2C#N)CCO1 ZINC000156544890 344442569 /nfs/dbraw/zinc/44/25/69/344442569.db2.gz IBXAXLIDWZOESI-NOZJJQNGSA-N 1 0 299.296 2.129 10 30 CEEERO N#Cc1c(Br)cccc1NC1CC[NH2+]CC1 ZINC000165074423 344473770 /nfs/dbraw/zinc/47/37/70/344473770.db2.gz XFQDSKLXWVYGEP-UHFFFAOYSA-N 1 0 280.169 2.485 10 30 CEEERO N#Cc1c(Br)cccc1NCC[NH2+]C1CC1 ZINC000165077459 344473781 /nfs/dbraw/zinc/47/37/81/344473781.db2.gz ZDVMZPKIZJGDMY-UHFFFAOYSA-N 1 0 280.169 2.485 10 30 CEEERO C[C@@H](Nc1ccc([N+](=O)[O-])cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000050163694 362407174 /nfs/dbraw/zinc/40/71/74/362407174.db2.gz OLJLGIJGKHWELZ-GHMZBOCLSA-N 1 0 274.324 2.266 10 30 CEEERO CCC([NH3+])(CC)COc1nc2c(cc1C#N)CCC2 ZINC000083866803 178755483 /nfs/dbraw/zinc/75/54/83/178755483.db2.gz OFKXVIOLUGJIMW-UHFFFAOYSA-N 1 0 259.353 2.338 10 30 CEEERO N#Cc1cc(F)c(NCCC2(C[NH3+])CC2)c(F)c1 ZINC000404524563 344881411 /nfs/dbraw/zinc/88/14/11/344881411.db2.gz QZQIWEDIESIFKT-UHFFFAOYSA-N 1 0 251.280 2.377 10 30 CEEERO N#Cc1ccc(NC(=O)Cc2cccc3nccn32)cc1 ZINC000584605575 344963753 /nfs/dbraw/zinc/96/37/53/344963753.db2.gz UTSNDWAYHHSMKI-UHFFFAOYSA-N 1 0 276.299 2.387 10 30 CEEERO C=C[C@@H](CCOC)[NH2+]CCOc1ccccc1OC ZINC000584620596 344967144 /nfs/dbraw/zinc/96/71/44/344967144.db2.gz WSLYYLGAZUBWAS-ZDUSSCGKSA-N 1 0 265.353 2.255 10 30 CEEERO N#Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])ccc1F ZINC000085373907 179043000 /nfs/dbraw/zinc/04/30/00/179043000.db2.gz KGRLJPBRRYZBGK-AAEUAGOBSA-N 1 0 261.300 2.153 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])c1 ZINC000085365857 179036485 /nfs/dbraw/zinc/03/64/85/179036485.db2.gz YPXAJSDWVJJWEH-LSDHHAIUSA-N 1 0 287.363 2.435 10 30 CEEERO C[NH2+]CCOCCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000600951104 346715040 /nfs/dbraw/zinc/71/50/40/346715040.db2.gz GYEZZMUWXVMJLE-UHFFFAOYSA-N 1 0 287.285 2.225 10 30 CEEERO C[C@]12C[NH2+]C[C@@]1(C)CN(c1c(F)cc(C#N)cc1F)C2 ZINC000600956000 346716605 /nfs/dbraw/zinc/71/66/05/346716605.db2.gz MULFYJRFPOGYSA-GASCZTMLSA-N 1 0 277.318 2.272 10 30 CEEERO C[C@@H]1CC[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C[NH2+]1 ZINC000600955238 346716625 /nfs/dbraw/zinc/71/66/25/346716625.db2.gz KWSJKVKYIHOKDJ-MWLCHTKSSA-N 1 0 260.297 2.019 10 30 CEEERO C[C@@H]1CC[C@H](Nc2cc(C#N)c3ccccc3n2)C[NH2+]1 ZINC000600956065 346717395 /nfs/dbraw/zinc/71/73/95/346717395.db2.gz VOGYBIOQUNYDQJ-YPMHNXCESA-N 1 0 266.348 2.081 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085920741 179200203 /nfs/dbraw/zinc/20/02/03/179200203.db2.gz AGCYEKCVSBSDHN-WCQYABFASA-N 1 0 267.336 2.183 10 30 CEEERO C[C@@H]1[C@@H]2C[NH2+]C[C@@H]2CN1c1ccc(C#N)cc1Cl ZINC000090328399 179959825 /nfs/dbraw/zinc/95/98/25/179959825.db2.gz FHYIXJDKHDJLJQ-JLLWLGSASA-N 1 0 261.756 2.256 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1CO[C@H](C)C(F)(F)F ZINC000090673663 180021735 /nfs/dbraw/zinc/02/17/35/180021735.db2.gz CJIACDGVQQMUTJ-SNVBAGLBSA-N 1 0 287.281 2.473 10 30 CEEERO C=CCNC(=O)N1CCCSC[C@H]1C[NH+]1CCCCC1 ZINC000090701799 180028134 /nfs/dbraw/zinc/02/81/34/180028134.db2.gz SUASKTOXTLZNKQ-CQSZACIVSA-N 1 0 297.468 2.175 10 30 CEEERO [NH3+]CC#Cc1cnccc1C(=O)Nc1cccc(Cl)c1 ZINC000091460957 180161408 /nfs/dbraw/zinc/16/14/08/180161408.db2.gz FWIXMPSIRJPYQV-UHFFFAOYSA-N 1 0 285.734 2.298 10 30 CEEERO C=CCC[C@@H]([NH2+]C)C1(N2CCOCC2)CCCC1 ZINC000091646186 180215837 /nfs/dbraw/zinc/21/58/37/180215837.db2.gz NFTRLUMLPYEBSY-CQSZACIVSA-N 1 0 252.402 2.186 10 30 CEEERO CC[NH2+][C@@H](C)c1ccn(Cc2ccnc(C#N)c2)c1 ZINC000091804960 180259760 /nfs/dbraw/zinc/25/97/60/180259760.db2.gz YGOFNJAQIDEGLH-LBPRGKRZSA-N 1 0 254.337 2.474 10 30 CEEERO CN(c1c(C#N)nnc2ccccc21)C1CCC([NH3+])CC1 ZINC000091849476 180271163 /nfs/dbraw/zinc/27/11/63/180271163.db2.gz CSJHPWQZSTWWCQ-UHFFFAOYSA-N 1 0 281.363 2.208 10 30 CEEERO C[C@H]1CCCN(C(=O)Nc2ccc(C#CC[NH3+])c(F)c2)C1 ZINC000091992555 180300558 /nfs/dbraw/zinc/30/05/58/180300558.db2.gz NJNQITIZSGJRJR-LBPRGKRZSA-N 1 0 289.354 2.400 10 30 CEEERO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H](C)C[NH2+]C ZINC000092134413 180332077 /nfs/dbraw/zinc/33/20/77/180332077.db2.gz BPLRRZWUQLZDED-ZDUSSCGKSA-N 1 0 273.380 2.152 10 30 CEEERO CSc1ccc(C(=O)Nc2cccc(C#CC[NH3+])n2)cc1 ZINC000092232666 180348988 /nfs/dbraw/zinc/34/89/88/180348988.db2.gz NNZHMKRKIVIZCV-UHFFFAOYSA-N 1 0 297.383 2.366 10 30 CEEERO CCn1cnnc1C1CC[NH+](CCCCC#N)CC1 ZINC000105928517 186092815 /nfs/dbraw/zinc/09/28/15/186092815.db2.gz DEGVJLSBWSCPMJ-UHFFFAOYSA-N 1 0 261.373 2.171 10 30 CEEERO Cc1cc(NC(=O)c2ccc(C#CC[NH3+])s2)ccn1 ZINC000092365927 180369020 /nfs/dbraw/zinc/36/90/20/180369020.db2.gz GVQXEJULZGHSDK-UHFFFAOYSA-N 1 0 271.345 2.014 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2ccc(OCC)cc2)c1N ZINC000106832650 186138400 /nfs/dbraw/zinc/13/84/00/186138400.db2.gz ZEYIUWTVUFHDQJ-UHFFFAOYSA-N 1 0 255.321 2.473 10 30 CEEERO C=CC[NH2+]CC(=O)Nc1cc(OC)c(OC)cc1Cl ZINC000092474039 180393823 /nfs/dbraw/zinc/39/38/23/180393823.db2.gz NTTVQFAQEJHLDQ-UHFFFAOYSA-N 1 0 284.743 2.071 10 30 CEEERO Cc1ccc(C[NH+]2CCN([C@@H](C)C#N)CC2)cc1C ZINC000109453260 186253553 /nfs/dbraw/zinc/25/35/53/186253553.db2.gz XDEIJNCISJBMQF-HNNXBMFYSA-N 1 0 257.381 2.333 10 30 CEEERO N#CCc1nc2ccccc2n1[C@H](C[NH3+])c1ccco1 ZINC000110951786 186336898 /nfs/dbraw/zinc/33/68/98/186336898.db2.gz DZBYWJAAFDBZNN-CYBMUJFWSA-N 1 0 266.304 2.243 10 30 CEEERO CC[C@H]1CN(Cc2cc(C#N)ccc2F)CC[N@@H+]1C ZINC000110718628 186315965 /nfs/dbraw/zinc/31/59/65/186315965.db2.gz TXNIRLBMJIEISF-AWEZNQCLSA-N 1 0 261.344 2.223 10 30 CEEERO C[N@@H+](Cc1ccc(F)cc1C#CCO)CC1CCOCC1 ZINC000111168381 186363649 /nfs/dbraw/zinc/36/36/49/186363649.db2.gz LLDISHHFUHYUFD-UHFFFAOYSA-N 1 0 291.366 2.028 10 30 CEEERO CN(C(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1cccc(C#N)c1 ZINC000111247171 186375927 /nfs/dbraw/zinc/37/59/27/186375927.db2.gz JNDOFNQLEUCSDH-CYBMUJFWSA-N 1 0 297.280 2.063 10 30 CEEERO N#Cc1cc2c(nc1N1CCC(CC[NH3+])CC1)CCC2 ZINC000070188685 363050580 /nfs/dbraw/zinc/05/05/80/363050580.db2.gz SLHNKPURGKKFJV-UHFFFAOYSA-N 1 0 270.380 2.007 10 30 CEEERO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cnc2ccc(C#N)cn12 ZINC000123395251 187089477 /nfs/dbraw/zinc/08/94/77/187089477.db2.gz XUOQDACVNDUKGJ-OAHLLOKOSA-N 1 0 297.406 2.122 10 30 CEEERO C=CCC[C@@H](C[N@@H+]1CCCOCC1)Oc1nccc(C)n1 ZINC000072477284 363137693 /nfs/dbraw/zinc/13/76/93/363137693.db2.gz GWZLXTSMPXUPAJ-HNNXBMFYSA-N 1 0 291.395 2.221 10 30 CEEERO C=CCCC[C@H](C[NH2+]CCOC)NC(=O)OC(C)(C)C ZINC000675050996 540062785 /nfs/dbraw/zinc/06/27/85/540062785.db2.gz GDVORUGRCPMWMT-CYBMUJFWSA-N 1 0 286.416 2.472 10 30 CEEERO N#Cc1cc2c(nc1N1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)CCCC2 ZINC000262338278 283116994 /nfs/dbraw/zinc/11/69/94/283116994.db2.gz UAHOECFLJOJBDP-IMJJTQAJSA-N 1 0 296.418 2.396 10 30 CEEERO Cn1cc([C@H]2CC[N@H+](CCOc3cccc(C#N)c3)C2)cn1 ZINC000116311858 365049995 /nfs/dbraw/zinc/04/99/95/365049995.db2.gz IOGNYUUUUOTQAD-HNNXBMFYSA-N 1 0 296.374 2.160 10 30 CEEERO N#Cc1cc(CN2CCC[C@H](n3cncn3)C2)ccc1F ZINC000119960522 365350716 /nfs/dbraw/zinc/35/07/16/365350716.db2.gz HDEIACKDDCCKBJ-AWEZNQCLSA-N 1 0 285.326 2.126 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc(C#N)cc1 ZINC000175000834 368087075 /nfs/dbraw/zinc/08/70/75/368087075.db2.gz HBRFFPOFIAGXMA-DLBZAZTESA-N 1 0 297.402 2.186 10 30 CEEERO Cc1c(C#N)cccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000178585345 368305693 /nfs/dbraw/zinc/30/56/93/368305693.db2.gz QJLMEPILOXOUNE-ZDUSSCGKSA-N 1 0 272.352 2.035 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C#N)cs1 ZINC000246093165 370908141 /nfs/dbraw/zinc/90/81/41/370908141.db2.gz HHWDDTPNVMXVIA-STQMWFEESA-N 1 0 289.404 2.319 10 30 CEEERO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000246320992 370946961 /nfs/dbraw/zinc/94/69/61/370946961.db2.gz WYBMFPNZUFNVBQ-IUODEOHRSA-N 1 0 286.379 2.408 10 30 CEEERO CCCCOC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000193371049 369934292 /nfs/dbraw/zinc/93/42/92/369934292.db2.gz KJRBGUFAICBEPY-MRXNPFEDSA-N 1 0 276.380 2.168 10 30 CEEERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(C#N)c1 ZINC000246940638 371034295 /nfs/dbraw/zinc/03/42/95/371034295.db2.gz KRZCLYRFIGKZCN-HOTGVXAUSA-N 1 0 283.375 2.257 10 30 CEEERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1C#N ZINC000247781444 371141222 /nfs/dbraw/zinc/14/12/22/371141222.db2.gz XQVXSNSZTTVSLH-WBMJQRKESA-N 1 0 273.355 2.366 10 30 CEEERO N#Cc1nnc2ccccc2c1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000382457357 375186368 /nfs/dbraw/zinc/18/63/68/375186368.db2.gz RSLKPPMFHYGDAK-GHMZBOCLSA-N 1 0 267.336 2.041 10 30 CEEERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000296107684 378420184 /nfs/dbraw/zinc/42/01/84/378420184.db2.gz ICMXJPALNGJQJZ-XJKSGUPXSA-N 1 0 274.364 2.172 10 30 CEEERO N#Cc1cccc(NC(=O)O[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000092744359 184624704 /nfs/dbraw/zinc/62/47/04/184624704.db2.gz IIRSRTHSYMNSRQ-YPMHNXCESA-N 1 0 259.309 2.234 10 30 CEEERO N#C[C@@H](c1ccc(C2CC2)cc1)N1CCC[NH2+]CC1 ZINC000094521386 184813805 /nfs/dbraw/zinc/81/38/05/184813805.db2.gz QSAZLCYQBSBWNA-INIZCTEOSA-N 1 0 255.365 2.424 10 30 CEEERO CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)n1ccnc1C#N ZINC000094936822 184897547 /nfs/dbraw/zinc/89/75/47/184897547.db2.gz QDNKPEVINKAKBD-ZWNOBZJWSA-N 1 0 260.366 2.451 10 30 CEEERO N#Cc1csc(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000093492355 135080784 /nfs/dbraw/zinc/08/07/84/135080784.db2.gz PAAUYJMNDXBLSA-UHFFFAOYSA-N 1 0 299.403 2.168 10 30 CEEERO N#Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc2ccccc12 ZINC000252661986 394572900 /nfs/dbraw/zinc/57/29/00/394572900.db2.gz SMFDDIDMOUELGI-AWEZNQCLSA-N 1 0 278.359 2.391 10 30 CEEERO Cc1nc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c(Cl)cc1C#N ZINC000261598708 394604188 /nfs/dbraw/zinc/60/41/88/394604188.db2.gz PHLSZOOVZNGVAV-GXFFZTMASA-N 1 0 276.771 2.103 10 30 CEEERO C[C@H]1C[NH2+]CCN1c1ccc(C#N)cc1Br ZINC000261958816 394610478 /nfs/dbraw/zinc/61/04/78/394610478.db2.gz MGNRFQOVFZYJFI-VIFPVBQESA-N 1 0 280.169 2.119 10 30 CEEERO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(F)cc2C#N)C1 ZINC000177895221 395158585 /nfs/dbraw/zinc/15/85/85/395158585.db2.gz QQSHKXNGQDKNHW-CYBMUJFWSA-N 1 0 290.342 2.303 10 30 CEEERO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1ccc(F)c(F)c1 ZINC000181638937 395220779 /nfs/dbraw/zinc/22/07/79/395220779.db2.gz DBIYZMKJWQKLPT-NSHDSACASA-N 1 0 295.333 2.378 10 30 CEEERO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)s1 ZINC000188398726 395314391 /nfs/dbraw/zinc/31/43/91/395314391.db2.gz LVSLEDZVGCWQLP-GFCCVEGCSA-N 1 0 272.377 2.481 10 30 CEEERO C[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccs1 ZINC000193182239 395403465 /nfs/dbraw/zinc/40/34/65/395403465.db2.gz XBIHXVKHGFCBAZ-IINYFYTJSA-N 1 0 277.393 2.207 10 30 CEEERO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000094593344 400245644 /nfs/dbraw/zinc/24/56/44/400245644.db2.gz YZVWXSWBDVDJEO-CQSZACIVSA-N 1 0 286.335 2.141 10 30 CEEERO N#Cc1ccnnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306757529 400336550 /nfs/dbraw/zinc/33/65/50/400336550.db2.gz SOSIFSUNTCMUJR-OAHLLOKOSA-N 1 0 279.347 2.035 10 30 CEEERO N#Cc1c(Br)cccc1NC[C@@H]([NH3+])C1CC1 ZINC000165084535 162341609 /nfs/dbraw/zinc/34/16/09/162341609.db2.gz GZZUYPFEJFFIML-LLVKDONJSA-N 1 0 280.169 2.470 10 30 CEEERO CC(C)Oc1cccc([C@@H](C#N)NCC[NH+](C)C)c1 ZINC000020176804 171042767 /nfs/dbraw/zinc/04/27/67/171042767.db2.gz GMCPBIJHUOTXQD-OAHLLOKOSA-N 1 0 261.369 2.190 10 30 CEEERO C#CCCOc1c(Cl)cc(CC[NH3+])cc1OC ZINC000037720103 173638131 /nfs/dbraw/zinc/63/81/31/173638131.db2.gz OTMMLXSTPUJDNM-UHFFFAOYSA-N 1 0 253.729 2.252 10 30 CEEERO COc1ccc2cc(C(C)=NNC(N)=[NH2+])ccc2c1 ZINC000038372548 174140697 /nfs/dbraw/zinc/14/06/97/174140697.db2.gz LLCOGTWADJOWEM-MFOYZWKCSA-N 1 0 256.309 2.055 10 30 CEEERO N#Cc1ccsc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000040851987 174420850 /nfs/dbraw/zinc/42/08/50/174420850.db2.gz JWYWNWFBPUTCBB-DLOVCJGASA-N 1 0 275.377 2.479 10 30 CEEERO C=CCC1(NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)CCCC1 ZINC000662888062 414788412 /nfs/dbraw/zinc/78/84/12/414788412.db2.gz DFHSROAIYPFBAE-CHWSQXEVSA-N 1 0 250.386 2.380 10 30 CEEERO C[NH2+][C@@H](C)c1cccc(NC(=O)N(C)CCC#N)c1 ZINC000041710325 174612891 /nfs/dbraw/zinc/61/28/91/174612891.db2.gz SSNOWNHJUKLNLV-NSHDSACASA-N 1 0 260.341 2.344 10 30 CEEERO C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745135 175241707 /nfs/dbraw/zinc/24/17/07/175241707.db2.gz FXKRKAJYIBBUOD-LRDDRELGSA-N 1 0 288.391 2.353 10 30 CEEERO N#CC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCCCCC1 ZINC000044767442 175249905 /nfs/dbraw/zinc/24/99/05/175249905.db2.gz WEIDUYIJEMTWEK-ZDUSSCGKSA-N 1 0 275.396 2.203 10 30 CEEERO CC(C)N[C@@](C)(C#N)CC[N@H+](C)CCc1ccccn1 ZINC000045178541 175324381 /nfs/dbraw/zinc/32/43/81/175324381.db2.gz YMKDLYKODDRNJS-MRXNPFEDSA-N 1 0 274.412 2.226 10 30 CEEERO CC(C)N[C@](C)(C#N)CCCCN1CC[NH+](C(C)C)CC1 ZINC000045311519 175356172 /nfs/dbraw/zinc/35/61/72/175356172.db2.gz KNTFWMJBNGIKQX-KRWDZBQOSA-N 1 0 294.487 2.463 10 30 CEEERO CCN[C@@](C)(C#N)CCCC[N@@H+]1CCOC(C)(C)C1 ZINC000045311954 175357584 /nfs/dbraw/zinc/35/75/84/175357584.db2.gz ODJXTHMWHYUXHL-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO CC[C@H](C)[N@H+](CCCC[C@@](C)(C#N)NC)CCOC ZINC000045317937 175358980 /nfs/dbraw/zinc/35/89/80/175358980.db2.gz VWZWFJHMZSVWOX-GJZGRUSLSA-N 1 0 269.433 2.405 10 30 CEEERO COCC[N@H+](C)CCCC[C@@](C)(C#N)NC(C)C ZINC000045319037 175359325 /nfs/dbraw/zinc/35/93/25/175359325.db2.gz TXRQPAMKHCRSEH-AWEZNQCLSA-N 1 0 255.406 2.015 10 30 CEEERO COCCN(CCC#N)[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000071222590 176088093 /nfs/dbraw/zinc/08/80/93/176088093.db2.gz LEDFJCAFHMNXFW-IUODEOHRSA-N 1 0 279.359 2.076 10 30 CEEERO COCCN(CCC#N)[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000071222585 176088145 /nfs/dbraw/zinc/08/81/45/176088145.db2.gz LEDFJCAFHMNXFW-DOMZBBRYSA-N 1 0 279.359 2.076 10 30 CEEERO COCCN(CCC#N)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000071232843 176092627 /nfs/dbraw/zinc/09/26/27/176092627.db2.gz HQFRXVLBAXLSIB-GFCCVEGCSA-N 1 0 290.367 2.100 10 30 CEEERO CCCN(Cc1ccc(F)cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071332255 176125758 /nfs/dbraw/zinc/12/57/58/176125758.db2.gz GDWMZVAEJLSFHD-OAHLLOKOSA-N 1 0 261.344 2.271 10 30 CEEERO COCC[NH2+]Cc1ccc(OCC#N)c(C(F)(F)F)c1 ZINC000071398850 176151695 /nfs/dbraw/zinc/15/16/95/176151695.db2.gz JZFPWWAPJREMCJ-UHFFFAOYSA-N 1 0 288.269 2.344 10 30 CEEERO C#CCNC(=O)[C@@H](C)Oc1ccc(C)cc1C[NH2+]CCC ZINC000071406230 176156038 /nfs/dbraw/zinc/15/60/38/176156038.db2.gz DBEDLXGCBWESIP-CQSZACIVSA-N 1 0 288.391 2.011 10 30 CEEERO Cc1ccncc1NC(=O)c1ccc(C#CC[NH3+])c(F)c1 ZINC000071414784 176160165 /nfs/dbraw/zinc/16/01/65/176160165.db2.gz MSGIACFBNNZEEW-UHFFFAOYSA-N 1 0 283.306 2.092 10 30 CEEERO C[C@@H](NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1[NH3+])c1ccc(C#N)cc1 ZINC000079526848 177516273 /nfs/dbraw/zinc/51/62/73/177516273.db2.gz RWCFMYMUQIWTMN-DMHMKPBJSA-N 1 0 283.375 2.109 10 30 CEEERO Cc1cc(N2CCC([NH2+]CC3CC3)CC2)c(C#N)cn1 ZINC000399122036 267336163 /nfs/dbraw/zinc/33/61/63/267336163.db2.gz PNPKIMQOYONEDZ-UHFFFAOYSA-N 1 0 270.380 2.230 10 30 CEEERO N#Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1 ZINC000398780042 268248875 /nfs/dbraw/zinc/24/88/75/268248875.db2.gz JTRGQGXJQJIKLZ-JYJNAYRXSA-N 1 0 256.349 2.151 10 30 CEEERO C[C@@H]1CN(c2ccc(Br)cc2C#N)CC[C@H]1[NH3+] ZINC000253198863 274362023 /nfs/dbraw/zinc/36/20/23/274362023.db2.gz AZIXLVJSWSEGAZ-BXKDBHETSA-N 1 0 294.196 2.494 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2c(C#N)nnc3ccccc32)CC1 ZINC000085920931 278305069 /nfs/dbraw/zinc/30/50/69/278305069.db2.gz GJTBWUWXWJQOMG-LLVKDONJSA-N 1 0 281.363 2.065 10 30 CEEERO C[C@@H]1C[C@@H](C[NH3+])CN1c1nc2c(cc1C#N)CCCC2 ZINC000216227341 278890952 /nfs/dbraw/zinc/89/09/52/278890952.db2.gz BLMIRMSAJULAKY-NEPJUHHUSA-N 1 0 270.380 2.006 10 30 CEEERO C[C@H]1CN(c2ccc(C#N)cc2Br)CC[C@@H]1[NH3+] ZINC000214341398 279880512 /nfs/dbraw/zinc/88/05/12/279880512.db2.gz PPLFPIMIKIZHAR-CABZTGNLSA-N 1 0 294.196 2.494 10 30 CEEERO [NH2+]=C(NCC1CCC1)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000170911274 329072014 /nfs/dbraw/zinc/07/20/14/329072014.db2.gz WNUMUXBBFFPNSL-KBPBESRZSA-N 1 0 261.344 2.386 10 30 CEEERO CC[NH+]=C(N[C@@H]1CC1(C)C)N(C)CCC1CCOCC1 ZINC000261949630 329990620 /nfs/dbraw/zinc/99/06/20/329990620.db2.gz GZANXXUJERYUBW-CQSZACIVSA-N 1 0 281.444 2.499 10 30 CEEERO C[NH+]=C(NCc1nc(C(C)C)c(C)s1)NC1CC1 ZINC000262325192 330006203 /nfs/dbraw/zinc/00/62/03/330006203.db2.gz SVZREJPBYPHZFQ-UHFFFAOYSA-N 1 0 266.414 2.402 10 30 CEEERO C[NH+]=C(NCC(C)(C)C)NC[C@](C)(O)c1ccc(C)o1 ZINC000262377254 330011537 /nfs/dbraw/zinc/01/15/37/330011537.db2.gz KVYODULFCDGUGX-HNNXBMFYSA-N 1 0 281.400 2.007 10 30 CEEERO Cc1cccnc1C(C)(C)CNC(=[NH2+])N1CCSCC1 ZINC000262388943 330012179 /nfs/dbraw/zinc/01/21/79/330012179.db2.gz QUJBOINFPNZMLA-UHFFFAOYSA-N 1 0 292.452 2.031 10 30 CEEERO [NH2+]=C(NC1CCCC1)N[C@@H]1COc2ccc(F)cc21 ZINC000262396413 330012692 /nfs/dbraw/zinc/01/26/92/330012692.db2.gz NADUAKVKCCQVHD-GFCCVEGCSA-N 1 0 263.316 2.106 10 30 CEEERO [NH2+]=C(NC1CCCC1)N[C@H]1COc2ccc(F)cc21 ZINC000262396414 330012729 /nfs/dbraw/zinc/01/27/29/330012729.db2.gz NADUAKVKCCQVHD-LBPRGKRZSA-N 1 0 263.316 2.106 10 30 CEEERO CC[NH+]=C(NCC(C)(C)SC)N[C@@H]1CCC[C@H]1C#N ZINC000262448675 330013829 /nfs/dbraw/zinc/01/38/29/330013829.db2.gz VPZGRXXSTZIDHN-NWDGAFQWSA-N 1 0 282.457 2.375 10 30 CEEERO [NH2+]=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)NC1CC1 ZINC000262455975 330014445 /nfs/dbraw/zinc/01/44/45/330014445.db2.gz RORVQTVYPPNBAY-WPRPVWTQSA-N 1 0 263.307 2.422 10 30 CEEERO CN(C)C(=[NH+][C@H]1C[C@@H]1c1c(F)cccc1F)N(C)C ZINC000262550698 330020855 /nfs/dbraw/zinc/02/08/55/330020855.db2.gz YCVXYBQPEHWVDB-CABZTGNLSA-N 1 0 267.323 2.300 10 30 CEEERO C[C@H]1CCCN(C(=[NH2+])N[C@H]2COc3ccccc32)C1 ZINC000262621285 330023228 /nfs/dbraw/zinc/02/32/28/330023228.db2.gz CSYNOTMOJPAZQM-AAEUAGOBSA-N 1 0 259.353 2.167 10 30 CEEERO CC(C)[N@H+](C)CCOc1cccc(C#CCCO)c1 ZINC000049616505 519626768 /nfs/dbraw/zinc/62/67/68/519626768.db2.gz PUSQUAOXAXKRQB-UHFFFAOYSA-N 1 0 261.365 2.140 10 30 CEEERO CCC[C@@]1(C(=O)Nc2ccccc2C#N)CC[NH2+]C1 ZINC000062889156 520944493 /nfs/dbraw/zinc/94/44/93/520944493.db2.gz LIKKUDYASMGNGI-OAHLLOKOSA-N 1 0 257.337 2.277 10 30 CEEERO C#CCN1CCC([NH2+][C@H](C)Cc2ccsc2)CC1 ZINC000049156764 518270090 /nfs/dbraw/zinc/27/00/90/518270090.db2.gz XSZIOGGTHRTNDR-CYBMUJFWSA-N 1 0 262.422 2.366 10 30 CEEERO C#CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)C ZINC000062732073 518330989 /nfs/dbraw/zinc/33/09/89/518330989.db2.gz QFRNCXRJLXBUOS-UHFFFAOYSA-N 1 0 262.309 2.352 10 30 CEEERO C=C(C)CN(CC)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054442707 518598299 /nfs/dbraw/zinc/59/82/99/518598299.db2.gz MNEJBOFHOQSPAX-UHFFFAOYSA-N 1 0 275.396 2.451 10 30 CEEERO C=C(C)COc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC ZINC000062732122 518615939 /nfs/dbraw/zinc/61/59/39/518615939.db2.gz KBRODTMZZDGXPH-UHFFFAOYSA-N 1 0 280.324 2.286 10 30 CEEERO C=CCNC(=O)COc1ccccc1C[NH2+]C(C)(C)C ZINC000062729276 518895715 /nfs/dbraw/zinc/89/57/15/518895715.db2.gz BYHNLLNULYEINM-UHFFFAOYSA-N 1 0 276.380 2.256 10 30 CEEERO C=CC[NH2+]CC[C@@H](O)c1ccc2c(c1)OCCCO2 ZINC000049853932 518950747 /nfs/dbraw/zinc/95/07/47/518950747.db2.gz CKWXGUZZGMBURG-CYBMUJFWSA-N 1 0 263.337 2.047 10 30 CEEERO C=CC[NH2+]CCn1nc(C)c(Br)c1C ZINC000053535198 518951472 /nfs/dbraw/zinc/95/14/72/518951472.db2.gz UHQGAYGYAQTMPI-UHFFFAOYSA-N 1 0 258.163 2.038 10 30 CEEERO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061615252 519715759 /nfs/dbraw/zinc/71/57/59/519715759.db2.gz ITXKEFFKUUEPSK-INIZCTEOSA-N 1 0 287.407 2.340 10 30 CEEERO CCCN[C@](C)(C#N)C[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000068616551 520101739 /nfs/dbraw/zinc/10/17/39/520101739.db2.gz ADRCFBCQAGGMRM-HOCLYGCPSA-N 1 0 281.444 2.405 10 30 CEEERO CCN[C@@](C#N)(CN(CCOC)[C@@H](C)CC)C1CC1 ZINC000069080359 520126656 /nfs/dbraw/zinc/12/66/56/520126656.db2.gz HNBBSKSEIBOMTG-ZFWWWQNUSA-N 1 0 267.417 2.015 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC000068613193 520128274 /nfs/dbraw/zinc/12/82/74/520128274.db2.gz ARHCMDJGXNXRQV-GDBMZVCRSA-N 1 0 280.460 2.073 10 30 CEEERO CCOC1CC[NH+](Cc2cccc(C#CCCO)c2)CC1 ZINC000049613576 521657038 /nfs/dbraw/zinc/65/70/38/521657038.db2.gz ZHWAYISFWUSVKU-UHFFFAOYSA-N 1 0 287.403 2.421 10 30 CEEERO CCC[N@H+](Cc1ccc(OC)c(C#CCO)c1)C1CC1 ZINC000049617692 521684666 /nfs/dbraw/zinc/68/46/66/521684666.db2.gz LTRWLZRUSXYGTE-UHFFFAOYSA-N 1 0 273.376 2.413 10 30 CEEERO CC[C@@H](C#N)Oc1cc(C[NH2+]CCOC)ccc1OC ZINC000062732651 521802334 /nfs/dbraw/zinc/80/23/34/521802334.db2.gz GRFFADKJLLLJAM-ZDUSSCGKSA-N 1 0 278.352 2.112 10 30 CEEERO C[NH+](C)C[C@H]1CCCN1CCOc1ccc(CC#N)cc1 ZINC000061644218 521867825 /nfs/dbraw/zinc/86/78/25/521867825.db2.gz RNGCGRHBURTTAD-MRXNPFEDSA-N 1 0 287.407 2.157 10 30 CEEERO C[N@H+](CCc1ccccn1)Cc1ccc(C#CCO)cc1 ZINC000049617044 522965399 /nfs/dbraw/zinc/96/53/99/522965399.db2.gz FFSNHHLRVMNEHI-UHFFFAOYSA-N 1 0 280.371 2.100 10 30 CEEERO CN(Cc1cccc(C#N)c1)[C@@H](C[NH3+])c1ccncc1 ZINC000061949627 523297241 /nfs/dbraw/zinc/29/72/41/523297241.db2.gz FMSJMPJMOIWYFZ-INIZCTEOSA-N 1 0 266.348 2.085 10 30 CEEERO CC[C@](C)(C=O)C[NH+]1CCN(C2CCCC2)CC1 ZINC000052063697 523450123 /nfs/dbraw/zinc/45/01/23/523450123.db2.gz HKFWURVUMGPJIF-HNNXBMFYSA-N 1 0 252.402 2.162 10 30 CEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(C#CCO)cc1 ZINC000049614689 523507991 /nfs/dbraw/zinc/50/79/91/523507991.db2.gz HZUHFPKLXXNWKH-WMLDXEAASA-N 1 0 273.376 2.030 10 30 CEEERO CC[C@@H]1CO[C@H](C)CN1Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609846 523518018 /nfs/dbraw/zinc/51/80/18/523518018.db2.gz SHCOXBITNBIDJD-CXAGYDPISA-N 1 0 290.382 2.135 10 30 CEEERO C[N@H+]([C@@H](C/C(N)=N/O)c1ccccc1)[C@@H]1CCSC1 ZINC000055020961 523623877 /nfs/dbraw/zinc/62/38/77/523623877.db2.gz DZMGDRANJXYVOW-OLZOCXBDSA-N 1 0 279.409 2.302 10 30 CEEERO CC[C@H](C)[N@H+](C)CCOc1cccc(C#CCO)c1 ZINC000049617191 523922430 /nfs/dbraw/zinc/92/24/30/523922430.db2.gz ZAOSVTCPRZYCAN-AWEZNQCLSA-N 1 0 261.365 2.140 10 30 CEEERO C[C@H]1CCC[C@H](C[NH3+])N1c1ccc([N+](=O)[O-])cc1C#N ZINC000070157849 524194387 /nfs/dbraw/zinc/19/43/87/524194387.db2.gz VYDGBPVJUOQLNT-GXFFZTMASA-N 1 0 274.324 2.173 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2cc(F)ccc2C#CC[NH3+])[C@H]1C ZINC000050568530 524206881 /nfs/dbraw/zinc/20/68/81/524206881.db2.gz GUJBQJRTMUZFEM-OLZOCXBDSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@@H]([NH3+])Cc1cccc(OCc2ccnc(C#N)c2)c1 ZINC000068759346 525000230 /nfs/dbraw/zinc/00/02/30/525000230.db2.gz ZIDRZVWYUTYUQG-GFCCVEGCSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@H](NC(=O)NC(C)(C)C)c1cccc(C#CC[NH3+])c1 ZINC000049587461 525049714 /nfs/dbraw/zinc/04/97/14/525049714.db2.gz SAWWPKUJQUCQNM-LBPRGKRZSA-N 1 0 273.380 2.156 10 30 CEEERO C[C@@H]1CN(c2cc(C#N)c3ccccc3n2)CC[N@@H+]1C ZINC000068796416 525061780 /nfs/dbraw/zinc/06/17/80/525061780.db2.gz SPZKQDWSPRXBIR-GFCCVEGCSA-N 1 0 266.348 2.247 10 30 CEEERO C[C@]1(C(=O)Nc2sc3c(c2C#N)CCC3)CCC[NH2+]C1 ZINC000062859442 525226269 /nfs/dbraw/zinc/22/62/69/525226269.db2.gz KZZOYSDWTDHBEF-HNNXBMFYSA-N 1 0 289.404 2.437 10 30 CEEERO C[C@H](NC(=O)c1ccco1)c1ccc(C#CC[NH3+])cc1 ZINC000049586730 525246013 /nfs/dbraw/zinc/24/60/13/525246013.db2.gz HDRQLIDRMOTFQY-LBPRGKRZSA-N 1 0 268.316 2.081 10 30 CEEERO C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(C#CC[NH3+])s1 ZINC000050568541 525636701 /nfs/dbraw/zinc/63/67/01/525636701.db2.gz LLLUGCBHFRYQJR-NWDGAFQWSA-N 1 0 276.405 2.319 10 30 CEEERO C[C@@H]1[C@@H](C)CCCN1C(=O)c1cc(F)ccc1C#CC[NH3+] ZINC000050568529 525637440 /nfs/dbraw/zinc/63/74/40/525637440.db2.gz GUJBQJRTMUZFEM-QWHCGFSZSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@H](C1CC1)[N@H+](C)CCOc1ccc(C#CCO)cc1 ZINC000049618495 526204551 /nfs/dbraw/zinc/20/45/51/526204551.db2.gz LAOJFEVPFIRNGQ-CQSZACIVSA-N 1 0 273.376 2.140 10 30 CEEERO N#CCCCOc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000070202297 526445423 /nfs/dbraw/zinc/44/54/23/526445423.db2.gz YJGDFQQPNVPODL-UHFFFAOYSA-N 1 0 275.352 2.437 10 30 CEEERO N#CC[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000055018606 526480786 /nfs/dbraw/zinc/48/07/86/526480786.db2.gz YYISJYYISLXNDV-GDBMZVCRSA-N 1 0 255.365 2.468 10 30 CEEERO N#CC[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000055018608 526481301 /nfs/dbraw/zinc/48/13/01/526481301.db2.gz YYISJYYISLXNDV-ZBFHGGJFSA-N 1 0 255.365 2.468 10 30 CEEERO N#CCc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000050944653 526481449 /nfs/dbraw/zinc/48/14/49/526481449.db2.gz OXEXIEVALPQRHT-UHFFFAOYSA-N 1 0 271.364 2.471 10 30 CEEERO N#Cc1cc(OC[C@@H]2CCC[NH2+]C2)nc2ccccc12 ZINC000068771712 526575134 /nfs/dbraw/zinc/57/51/34/526575134.db2.gz KYHGEQBCYAUWRC-GFCCVEGCSA-N 1 0 267.332 2.485 10 30 CEEERO N#Cc1ccc(NC(=O)CCCC[NH3+])cc1Cl ZINC000070201654 526648736 /nfs/dbraw/zinc/64/87/36/526648736.db2.gz ICHPNLFRXURXEV-UHFFFAOYSA-N 1 0 251.717 2.279 10 30 CEEERO Cn1cc(SCc2ccccc2C#CC[NH3+])cn1 ZINC000049612934 527291699 /nfs/dbraw/zinc/29/16/99/527291699.db2.gz QUEUTJLAIVQKEP-UHFFFAOYSA-N 1 0 257.362 2.023 10 30 CEEERO CC[NH2+]CC1CCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000233509004 622766363 /nfs/dbraw/zinc/76/63/63/622766363.db2.gz OHGNXDBWPXSZFF-UHFFFAOYSA-N 1 0 284.816 2.494 10 30 CEEERO C[C@H]([NH3+])[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000235502362 625617610 /nfs/dbraw/zinc/61/76/10/625617610.db2.gz KWWRFPPPPMFIJW-JGVFFNPUSA-N 1 0 270.789 2.232 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1 ZINC000235172026 624661577 /nfs/dbraw/zinc/66/15/77/624661577.db2.gz KWWRFPPPPMFIJW-HTQZYQBOSA-N 1 0 270.789 2.232 10 30 CEEERO C[C@H]1C[C@H]1NC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262006250 629428349 /nfs/dbraw/zinc/42/83/49/629428349.db2.gz RNPHSGLJHAXUNM-SMDDNHRTSA-N 1 0 292.814 2.185 10 30 CEEERO COC[C@@]1(CNc2cc(C#N)c3ccccc3n2)CCC[NH2+]1 ZINC000262485865 631021386 /nfs/dbraw/zinc/02/13/86/631021386.db2.gz KLZAMAMUJFXYGJ-KRWDZBQOSA-N 1 0 296.374 2.287 10 30 CEEERO C[C@@H]1C[NH+]=C(NCC2CCC(C(F)(F)F)CC2)N1 ZINC000262652083 631186412 /nfs/dbraw/zinc/18/64/12/631186412.db2.gz KPZNXGMCIFXOQC-XNWIYYODSA-N 1 0 263.307 2.292 10 30 CEEERO C#CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000069767538 641594441 /nfs/dbraw/zinc/59/44/41/641594441.db2.gz ZRXXNLKBVMQJAK-UHFFFAOYSA-N 1 0 282.137 2.291 10 30 CEEERO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(C#N)cc1Br ZINC000214316453 652372096 /nfs/dbraw/zinc/37/20/96/652372096.db2.gz ALSIMMJSJKEVID-ONGXEEELSA-N 1 0 294.196 2.494 10 30 CEEERO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(F)c(C#N)c3)C2)cn1 ZINC000121144574 365528260 /nfs/dbraw/zinc/52/82/60/365528260.db2.gz MDJQNOKCZKUEPG-CYBMUJFWSA-N 1 0 284.338 2.420 10 30 CEEERO C[C@@H]([NH3+])C#Cc1c[nH]c2cncc(Br)c12 ZINC000725245752 539191633 /nfs/dbraw/zinc/19/16/33/539191633.db2.gz LVCXVBFZUBFDSY-SSDOTTSWSA-N 1 0 264.126 2.024 10 30 CEEERO N#Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000127861626 187337004 /nfs/dbraw/zinc/33/70/04/187337004.db2.gz GZRUTIDJGAVPAC-GXFFZTMASA-N 1 0 274.324 2.396 10 30 CEEERO [NH2+]=C(NCc1ccccc1)NN=Cc1ccccc1 ZINC000002026670 343351410 /nfs/dbraw/zinc/35/14/10/343351410.db2.gz CPMKRFFCBDRVSY-LDADJPATSA-N 1 0 252.321 2.335 10 30 CEEERO N#Cc1cc2c(nc1NCC1CC[NH2+]CC1)CCCC2 ZINC000044509236 343473529 /nfs/dbraw/zinc/47/35/29/343473529.db2.gz ONWCHDFWHAWOQO-UHFFFAOYSA-N 1 0 270.380 2.244 10 30 CEEERO CN(CCC[NH3+])c1ccc(C(F)(F)F)cc1C#N ZINC000133823034 344370737 /nfs/dbraw/zinc/37/07/37/344370737.db2.gz XCKOYSYKBOOAGK-UHFFFAOYSA-N 1 0 257.259 2.362 10 30 CEEERO C[C@H](C[NH3+])Nc1ccc(C#N)c(Br)c1 ZINC000228273179 344559926 /nfs/dbraw/zinc/55/99/26/344559926.db2.gz HFIVTGKXJQSEDD-SSDOTTSWSA-N 1 0 254.131 2.080 10 30 CEEERO N#Cc1cc(F)ccc1N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000311476095 344734301 /nfs/dbraw/zinc/73/43/01/344734301.db2.gz PVSNUCAKJMGFLZ-WFASDCNBSA-N 1 0 259.328 2.263 10 30 CEEERO N#Cc1ccc([N+](=O)[O-])c(NCCC2(C[NH3+])CC2)c1 ZINC000404529442 344881575 /nfs/dbraw/zinc/88/15/75/344881575.db2.gz XASWPBCVORASHZ-UHFFFAOYSA-N 1 0 260.297 2.007 10 30 CEEERO CC1([NH3+])CCN(c2nc(C(F)(F)F)ccc2C#N)CC1 ZINC000591434352 345253023 /nfs/dbraw/zinc/25/30/23/345253023.db2.gz AUEYYKMKGJEHTC-UHFFFAOYSA-N 1 0 284.285 2.290 10 30 CEEERO COC[C@H](C)[N@H+](C)[C@@H](C)C[C@](C)(C#N)NC(C)C ZINC000084293303 178845142 /nfs/dbraw/zinc/84/51/42/178845142.db2.gz NSKZVBFUMHXWRP-MELADBBJSA-N 1 0 255.406 2.012 10 30 CEEERO C[NH+](C)CCN[C@]1(C#N)CCC[C@H](C(F)(F)F)C1 ZINC000085130529 178953070 /nfs/dbraw/zinc/95/30/70/178953070.db2.gz ZEKZGJLGASXHER-WDEREUQCSA-N 1 0 263.307 2.152 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC000085369338 179039106 /nfs/dbraw/zinc/03/91/06/179039106.db2.gz OMZQVFKKCUFZTD-KGLIPLIRSA-N 1 0 275.352 2.039 10 30 CEEERO N#Cc1c(NC(=O)[C@H]2CCC[C@H]2[NH3+])sc2c1CCC2 ZINC000085371706 179041831 /nfs/dbraw/zinc/04/18/31/179041831.db2.gz FHBRMDXZBLBSNI-GXSJLCMTSA-N 1 0 275.377 2.174 10 30 CEEERO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000085374677 179043655 /nfs/dbraw/zinc/04/36/55/179043655.db2.gz KIZLGXRZLQHOPM-ZIAGYGMSSA-N 1 0 257.337 2.039 10 30 CEEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1c(C#N)cnc2ccccc21 ZINC000600952295 346715578 /nfs/dbraw/zinc/71/55/78/346715578.db2.gz VBWIDCXKISKFRG-DZGCQCFKSA-N 1 0 266.348 2.081 10 30 CEEERO N#Cc1cccnc1NCC[C@H]([NH3+])Cc1ccccc1 ZINC000600961896 346719825 /nfs/dbraw/zinc/71/98/25/346719825.db2.gz WLARULRSIQYNAV-HNNXBMFYSA-N 1 0 266.348 2.325 10 30 CEEERO Cc1cc(C)c(C#N)c(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000129342147 365849900 /nfs/dbraw/zinc/84/99/00/365849900.db2.gz ITDWYEBVYGELBV-HNNXBMFYSA-N 1 0 258.369 2.372 10 30 CEEERO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#CC[NH3+])s2)[C@@H]1C ZINC000086081158 179227385 /nfs/dbraw/zinc/22/73/85/179227385.db2.gz MOSXLJYNVCAXKW-WZRBSPASSA-N 1 0 276.405 2.223 10 30 CEEERO C#CCN1C[C@](C)(c2ccccc2)[NH2+]C[C@@H]1C(C)C ZINC000086222881 179250765 /nfs/dbraw/zinc/25/07/65/179250765.db2.gz WQKLJSDOSNPORT-IAGOWNOFSA-N 1 0 256.393 2.465 10 30 CEEERO CC[C@@H]1CN(C(=O)C#Cc2ccccc2)[C@@H](CC)C[NH2+]1 ZINC000086447907 179295450 /nfs/dbraw/zinc/29/54/50/179295450.db2.gz JCYPNOORVQDPLH-CVEARBPZSA-N 1 0 270.376 2.027 10 30 CEEERO CCN(C[C@@H](C)C#N)C(=O)CC1([NH2+]C)CCCCC1 ZINC000087577245 179449432 /nfs/dbraw/zinc/44/94/32/179449432.db2.gz XZDDXBOAJWRJBS-ZDUSSCGKSA-N 1 0 265.401 2.307 10 30 CEEERO C=C(C)C(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000616571168 348524223 /nfs/dbraw/zinc/52/42/23/348524223.db2.gz POMMKOQCJPUGBQ-ZIAGYGMSSA-N 1 0 262.328 2.045 10 30 CEEERO N#Cc1cc(NC(=O)C[C@H]2CC[NH2+]C2)ccc1Cl ZINC000089742046 179857498 /nfs/dbraw/zinc/85/74/98/179857498.db2.gz GLQMMZQLJLVIGD-SECBINFHSA-N 1 0 263.728 2.150 10 30 CEEERO C[C@H](C[NH3+])CSCCOc1ccc(C#N)cc1 ZINC000090350775 179971995 /nfs/dbraw/zinc/97/19/95/179971995.db2.gz FXVGBMLKXRCZRU-LLVKDONJSA-N 1 0 250.367 2.265 10 30 CEEERO C=CCSc1ccccc1NC(=O)[C@]1(C)COC[C@H]1[NH3+] ZINC000090589696 180010494 /nfs/dbraw/zinc/01/04/94/180010494.db2.gz AEMNADLUUQSHEZ-UKRRQHHQSA-N 1 0 292.404 2.267 10 30 CEEERO CC(C)N(CCC#N)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000091359668 180140225 /nfs/dbraw/zinc/14/02/25/180140225.db2.gz FOOFKESTSZXGJQ-ILXRZTDVSA-N 1 0 277.412 2.448 10 30 CEEERO N#Cc1cnc2ccccc2c1OC1CC(C[NH3+])C1 ZINC000091460869 180161639 /nfs/dbraw/zinc/16/16/39/180161639.db2.gz CTQRWRNCVJNLHN-UHFFFAOYSA-N 1 0 253.305 2.223 10 30 CEEERO Cc1cc(CNC(=O)c2ccncc2C#CC[NH3+])sc1C ZINC000091463631 180162086 /nfs/dbraw/zinc/16/20/86/180162086.db2.gz QELREEBUZKYJSR-UHFFFAOYSA-N 1 0 299.399 2.000 10 30 CEEERO COc1ccc(Cn2ccc([C@H](C)[NH3+])c2)cc1C#N ZINC000091803308 180259863 /nfs/dbraw/zinc/25/98/63/180259863.db2.gz WQYCSZJISLHADT-NSHDSACASA-N 1 0 255.321 2.436 10 30 CEEERO C[NH2+][C@@H](c1ccn(Cc2cccnc2C#N)c1)C1CC1 ZINC000091836283 180267769 /nfs/dbraw/zinc/26/77/69/180267769.db2.gz ROAWILDUKGLHHH-MRXNPFEDSA-N 1 0 266.348 2.474 10 30 CEEERO C[NH+]1CCC(O)([C@]2(C#N)CCCc3ccccc32)CC1 ZINC000091878279 180278604 /nfs/dbraw/zinc/27/86/04/180278604.db2.gz RKJLYVLHIAWRDP-INIZCTEOSA-N 1 0 270.376 2.241 10 30 CEEERO CCC[NH2+][C@H](C)c1cccc(-n2cnc(C#N)n2)c1 ZINC000092024151 180308502 /nfs/dbraw/zinc/30/85/02/180308502.db2.gz LYPZCVIYHOQTBT-LLVKDONJSA-N 1 0 255.325 2.200 10 30 CEEERO C=C(C)[C@H]([NH2+]CCC)[C@](C)(CC)N1CCOCC1 ZINC000092128202 180329362 /nfs/dbraw/zinc/32/93/62/180329362.db2.gz NIKLZNHRGOQKAM-GJZGRUSLSA-N 1 0 254.418 2.432 10 30 CEEERO N#CCCCOc1cccc(NC(=O)[C@@H]2C=C[C@H]([NH3+])C2)c1 ZINC000092204178 180343818 /nfs/dbraw/zinc/34/38/18/180343818.db2.gz KTTUSNQXIDAGQQ-OLZOCXBDSA-N 1 0 285.347 2.211 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2cc(OC)cc(OC)c2)c1N ZINC000106832674 186137466 /nfs/dbraw/zinc/13/74/66/186137466.db2.gz NOHRWXQKTSHPOK-UHFFFAOYSA-N 1 0 271.320 2.091 10 30 CEEERO C#CCn1c(C)[nH+]c(-c2ccc(N(C)C)cc2)c1N ZINC000106832618 186137653 /nfs/dbraw/zinc/13/76/53/186137653.db2.gz BXPYGLJNGPCWOM-UHFFFAOYSA-N 1 0 254.337 2.140 10 30 CEEERO C=CC[NH2+]CC(=O)N1CCc2sccc2[C@@H]1C1CC1 ZINC000092474576 180394167 /nfs/dbraw/zinc/39/41/67/180394167.db2.gz CADMENJQGKFUPH-HNNXBMFYSA-N 1 0 276.405 2.360 10 30 CEEERO C=CC[NH2+]CC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000092474301 180394238 /nfs/dbraw/zinc/39/42/38/180394238.db2.gz LQMJBQQWRRCGMZ-ZDUSSCGKSA-N 1 0 276.380 2.493 10 30 CEEERO CCCCCCCN1CC[NH+]([C@H](C)C(N)=S)CC1 ZINC000110444307 186296540 /nfs/dbraw/zinc/29/65/40/186296540.db2.gz DRNPNDMLASEGMW-CYBMUJFWSA-N 1 0 271.474 2.249 10 30 CEEERO CC[C@@H]1CN(Cc2cc(C#CCCO)cs2)CC[N@@H+]1C ZINC000110734561 186317385 /nfs/dbraw/zinc/31/73/85/186317385.db2.gz LDLDGTMLQDWUJR-OAHLLOKOSA-N 1 0 292.448 2.008 10 30 CEEERO C[N@@H+](Cc1cc(C#CCCO)cs1)C[C@H]1CCCOC1 ZINC000111168247 186363471 /nfs/dbraw/zinc/36/34/71/186363471.db2.gz KEDMBAYUXCVQFH-OAHLLOKOSA-N 1 0 293.432 2.340 10 30 CEEERO C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000111267559 186383455 /nfs/dbraw/zinc/38/34/55/186383455.db2.gz MQUYZUXJJFLZMG-IUODEOHRSA-N 1 0 287.363 2.163 10 30 CEEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000629589101 351424940 /nfs/dbraw/zinc/42/49/40/351424940.db2.gz ROEKFUNHCNCZDZ-CYBMUJFWSA-N 1 0 267.369 2.349 10 30 CEEERO N#Cc1cc(Cl)ccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261587046 283094825 /nfs/dbraw/zinc/09/48/25/283094825.db2.gz UUBCYHMYIZVCOB-JQWIXIFHSA-N 1 0 261.756 2.257 10 30 CEEERO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+]1CCCC#N ZINC000076007570 363506804 /nfs/dbraw/zinc/50/68/04/363506804.db2.gz PJTCYEOCPVUGJG-LBPRGKRZSA-N 1 0 267.373 2.279 10 30 CEEERO C=CC1CCN(C(=O)N[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000111836739 364764595 /nfs/dbraw/zinc/76/45/95/364764595.db2.gz HCJQYYXBLRHXOC-AWEZNQCLSA-N 1 0 265.401 2.078 10 30 CEEERO N#Cc1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)s1 ZINC000245557472 370839872 /nfs/dbraw/zinc/83/98/72/370839872.db2.gz JZTCENSHUJGJHK-LBPRGKRZSA-N 1 0 261.394 2.290 10 30 CEEERO C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3)C[C@@H]1C[NH3+] ZINC000164008880 367273799 /nfs/dbraw/zinc/27/37/99/367273799.db2.gz PFLGFHZZPXRFIY-DOMZBBRYSA-N 1 0 284.407 2.253 10 30 CEEERO Cc1c(C#N)cccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000178585355 368306148 /nfs/dbraw/zinc/30/61/48/368306148.db2.gz QJLMEPILOXOUNE-CYBMUJFWSA-N 1 0 272.352 2.035 10 30 CEEERO CC[N@H+](CCNc1cc(C)nc(C)c1C#N)C1CC1 ZINC000227593497 370373495 /nfs/dbraw/zinc/37/34/95/370373495.db2.gz HKQJVVCNCNMSPU-UHFFFAOYSA-N 1 0 258.369 2.466 10 30 CEEERO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)c(F)c1 ZINC000227597810 370374632 /nfs/dbraw/zinc/37/46/32/370374632.db2.gz RIJSKROUPSWSGS-DZGCQCFKSA-N 1 0 262.328 2.338 10 30 CEEERO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000247648372 371131691 /nfs/dbraw/zinc/13/16/91/371131691.db2.gz WHMJTNIACLEYLW-CABCVRRESA-N 1 0 277.412 2.410 10 30 CEEERO COCC[N@@H+]1CCN([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000118398111 285050693 /nfs/dbraw/zinc/05/06/93/285050693.db2.gz KZKMOFUFYPZCNE-GJZGRUSLSA-N 1 0 287.407 2.272 10 30 CEEERO C[C@H]1CCC[C@]([NH3+])(C(=O)Nc2cccc(C#N)c2)C1 ZINC000080906092 177725140 /nfs/dbraw/zinc/72/51/40/177725140.db2.gz KAVQTKGTGMGRGA-XHDPSFHLSA-N 1 0 257.337 2.404 10 30 CEEERO CCN[C@]1(C#N)CCC[C@H]([N@H+](CCOC)CC(C)C)C1 ZINC000093742972 184711178 /nfs/dbraw/zinc/71/11/78/184711178.db2.gz FCVJLQPNMMGFMD-JKSUJKDBSA-N 1 0 281.444 2.405 10 30 CEEERO N#Cc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000094592317 184821985 /nfs/dbraw/zinc/82/19/85/184821985.db2.gz DJTDCXLBIBZJQD-GXFFZTMASA-N 1 0 274.324 2.396 10 30 CEEERO N#Cc1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)cc1N ZINC000094590918 184822060 /nfs/dbraw/zinc/82/20/60/184822060.db2.gz MGNSYTXHEPIUIR-HNNXBMFYSA-N 1 0 270.380 2.205 10 30 CEEERO N#Cc1ccc(OCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000094593542 184822794 /nfs/dbraw/zinc/82/27/94/184822794.db2.gz ZGLBOGTZMOSJBF-UHFFFAOYSA-N 1 0 261.281 2.117 10 30 CEEERO N#Cc1ccccc1C[C@@H]1COCC[C@H]1[NH2+]C1CC1 ZINC000095077183 184935558 /nfs/dbraw/zinc/93/55/58/184935558.db2.gz DXFGLRCTCIPLET-GDBMZVCRSA-N 1 0 256.349 2.258 10 30 CEEERO CC[NH2+][C@@H](C)c1cc(F)ccc1N1CCO[C@H](C#N)C1 ZINC000093932624 135082634 /nfs/dbraw/zinc/08/26/34/135082634.db2.gz IHQXVYBYWZHCSC-WCQYABFASA-N 1 0 277.343 2.225 10 30 CEEERO CC[NH2+][C@@H](C)c1c(F)cccc1N1CCO[C@H](C#N)C1 ZINC000093932561 135082780 /nfs/dbraw/zinc/08/27/80/135082780.db2.gz IOVJANDIPLGOHE-NWDGAFQWSA-N 1 0 277.343 2.225 10 30 CEEERO N#Cc1cccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000228760755 394476215 /nfs/dbraw/zinc/47/62/15/394476215.db2.gz YFKKMWARTOGPNW-YNEHKIRRSA-N 1 0 286.335 2.030 10 30 CEEERO C[C@H]1CN(c2cc(C#N)c3ccccc3n2)C[C@H]1[NH+](C)C ZINC000251576865 394568495 /nfs/dbraw/zinc/56/84/95/394568495.db2.gz CFLIIVZKYOUAKY-BLLLJJGKSA-N 1 0 280.375 2.493 10 30 CEEERO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1C[NH3+] ZINC000252703832 394573335 /nfs/dbraw/zinc/57/33/35/394573335.db2.gz LFUBINVYFAVYBV-HZMBPMFUSA-N 1 0 274.324 2.030 10 30 CEEERO C#CCCCCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000374515744 395083375 /nfs/dbraw/zinc/08/33/75/395083375.db2.gz WXYQXLMQRMDWJQ-CABCVRRESA-N 1 0 262.397 2.265 10 30 CEEERO N#Cc1cc(N2CC[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000164074468 395085045 /nfs/dbraw/zinc/08/50/45/395085045.db2.gz YMROIADWAZEXRY-VIFPVBQESA-N 1 0 269.270 2.362 10 30 CEEERO N#Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C(F)(F)F ZINC000164106329 395085578 /nfs/dbraw/zinc/08/55/78/395085578.db2.gz IHPVZGZAMULRSG-PHIMTYICSA-N 1 0 281.281 2.233 10 30 CEEERO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](CCO)C2)c1 ZINC000217836129 153295453 /nfs/dbraw/zinc/29/54/53/153295453.db2.gz DMHIIIAMVAZTME-AWEZNQCLSA-N 1 0 274.364 2.031 10 30 CEEERO C[C@]1(C[NH3+])CCN(c2ccc(C#N)cc2Br)C1 ZINC000261566624 153763612 /nfs/dbraw/zinc/76/36/12/153763612.db2.gz ZHDAAFQMRABZHF-CYBMUJFWSA-N 1 0 294.196 2.496 10 30 CEEERO C[NH+](C)CCCN[C@@H](C#N)c1ccccc1Cl ZINC000020173696 171041474 /nfs/dbraw/zinc/04/14/74/171041474.db2.gz QHNIOWKGYFLUFI-ZDUSSCGKSA-N 1 0 251.761 2.446 10 30 CEEERO C#CCOc1c(Br)cc(C[NH3+])cc1OCC ZINC000037712050 173631754 /nfs/dbraw/zinc/63/17/54/173631754.db2.gz AHLXOSUMZOQWAX-UHFFFAOYSA-N 1 0 284.153 2.319 10 30 CEEERO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)COc1ccc(C)cc1 ZINC000040499953 174296639 /nfs/dbraw/zinc/29/66/39/174296639.db2.gz VSXRZLYITQARHV-UONOGXRCSA-N 1 0 276.380 2.043 10 30 CEEERO C[C@@H]([NH2+]CCc1nccn1C)c1ccc(C#N)cc1 ZINC000040638676 174363301 /nfs/dbraw/zinc/36/33/01/174363301.db2.gz DDMRFLHHKISPEM-GFCCVEGCSA-N 1 0 254.337 2.185 10 30 CEEERO CCCN(c1cc(C#N)ccn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748865 174393510 /nfs/dbraw/zinc/39/35/10/174393510.db2.gz PLJFBIRRXGZBGN-YIONKMFJSA-N 1 0 270.380 2.453 10 30 CEEERO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])C1 ZINC000662857483 414777088 /nfs/dbraw/zinc/77/70/88/414777088.db2.gz MQUAXDYVVMWTBG-MCIONIFRSA-N 1 0 250.386 2.176 10 30 CEEERO N#CCCCC[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000042312781 174681893 /nfs/dbraw/zinc/68/18/93/174681893.db2.gz SJSUCWNKHVAFEX-UHFFFAOYSA-N 1 0 260.337 2.284 10 30 CEEERO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCO)CC1 ZINC000657943148 415136818 /nfs/dbraw/zinc/13/68/18/415136818.db2.gz JIQDMNGVEUMTPF-GOEBONIOSA-N 1 0 266.429 2.168 10 30 CEEERO CC[C@H]([NH3+])[C@H](c1ccccn1)N(CC)C[C@@H](C)C#N ZINC000043340721 175014159 /nfs/dbraw/zinc/01/41/59/175014159.db2.gz IBMZCXWTQUELCS-KCQAQPDRSA-N 1 0 260.385 2.342 10 30 CEEERO CCC[C@H](C#N)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000044825883 175259417 /nfs/dbraw/zinc/25/94/17/175259417.db2.gz VUPUXEZIGFCQSA-OLZOCXBDSA-N 1 0 253.390 2.019 10 30 CEEERO CCO[C@H]1CCC[N@H+](CC[C@@](C)(C#N)NC(C)C)C1 ZINC000045183352 175326137 /nfs/dbraw/zinc/32/61/37/175326137.db2.gz ZBICALRVMGMYNB-GJZGRUSLSA-N 1 0 267.417 2.158 10 30 CEEERO CC(C)N[C@](C)(C#N)CCC[N@H+](C)C1CCN(C)CC1 ZINC000045307881 175356308 /nfs/dbraw/zinc/35/63/08/175356308.db2.gz KCWHHNUPDIKLEF-INIZCTEOSA-N 1 0 280.460 2.073 10 30 CEEERO CCN[C@](C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1CC ZINC000045312062 175357027 /nfs/dbraw/zinc/35/70/27/175357027.db2.gz RRDCBURBQJPPEV-GJZGRUSLSA-N 1 0 267.417 2.159 10 30 CEEERO CC[N@H+](CCCC[C@@](C)(C#N)NC(C)C)CCOC ZINC000045316928 175357791 /nfs/dbraw/zinc/35/77/91/175357791.db2.gz AULXCZLJTDSRIX-HNNXBMFYSA-N 1 0 269.433 2.405 10 30 CEEERO CCCN[C@@](C)(C#N)CCC[N@@H+]1CCOCC1(C)C ZINC000045317532 175357824 /nfs/dbraw/zinc/35/78/24/175357824.db2.gz WDHBPLLIMWEVDI-OAHLLOKOSA-N 1 0 267.417 2.159 10 30 CEEERO C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000659329127 415518309 /nfs/dbraw/zinc/51/83/09/415518309.db2.gz LJMRYSUWLFBQKZ-RQJABVFESA-N 1 0 250.386 2.093 10 30 CEEERO C[NH2+]C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000071147965 176044197 /nfs/dbraw/zinc/04/41/97/176044197.db2.gz MCVJLAPGFXUKDP-LBPRGKRZSA-N 1 0 266.348 2.152 10 30 CEEERO COCCN(CCC#N)[C@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000071222021 176087490 /nfs/dbraw/zinc/08/74/90/176087490.db2.gz HGLXDJWSTMQPHM-ZBFHGGJFSA-N 1 0 275.396 2.245 10 30 CEEERO CN(Cc1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000071264284 176097210 /nfs/dbraw/zinc/09/72/10/176097210.db2.gz FZSQKMXRXYPDQE-XYPWUTKMSA-N 1 0 273.355 2.412 10 30 CEEERO CCN(c1nc2c(cc1C#N)CCCC2)[C@@H]1CC[NH2+]C1 ZINC000071314182 176120665 /nfs/dbraw/zinc/12/06/65/176120665.db2.gz IXUVJXBIVKAGAF-CQSZACIVSA-N 1 0 270.380 2.020 10 30 CEEERO C[N@H+](CCNc1ccc(C#N)cc1N)C1CCCC1 ZINC000071377045 176142029 /nfs/dbraw/zinc/14/20/29/176142029.db2.gz ZYQFWFCTFBLTMF-UHFFFAOYSA-N 1 0 258.369 2.427 10 30 CEEERO N#Cc1cc2ccccc2nc1OC[C@@H]1CCC[NH2+]1 ZINC000071386301 176147518 /nfs/dbraw/zinc/14/75/18/176147518.db2.gz DWEJKDUQTLCVHZ-ZDUSSCGKSA-N 1 0 253.305 2.237 10 30 CEEERO N#Cc1cc2ccccc2nc1O[C@H]1CCC[NH2+]C1 ZINC000071386335 176147965 /nfs/dbraw/zinc/14/79/65/176147965.db2.gz BOHFRPVOXDBQEQ-ZDUSSCGKSA-N 1 0 253.305 2.237 10 30 CEEERO C[C@H]([NH3+])Cc1ccc(OCC#N)c(C(F)(F)F)c1 ZINC000071399662 176152332 /nfs/dbraw/zinc/15/23/32/176152332.db2.gz WGBVOIVRUQCQHQ-QMMMGPOBSA-N 1 0 258.243 2.497 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2c(cccc2F)C1C#N ZINC000071678304 176243187 /nfs/dbraw/zinc/24/31/87/176243187.db2.gz JHYJNEATJLTXOH-CYBMUJFWSA-N 1 0 275.327 2.188 10 30 CEEERO CC[NH+](CC)CCN1C(=O)c2ccc(OC)cc2C1C#N ZINC000071678526 176243914 /nfs/dbraw/zinc/24/39/14/176243914.db2.gz QUQWUMHSLBDOPB-OAHLLOKOSA-N 1 0 287.363 2.057 10 30 CEEERO C[C@H]1C[C@@H](C(=O)NCc2nc3cccnc3[nH]2)CC[N@@H+]1C ZINC000329554380 227597889 /nfs/dbraw/zinc/59/78/89/227597889.db2.gz GRYGQICBPWHJCT-QWRGUYRKSA-N 1 0 287.367 2.145 10 30 CEEERO C=C(C)CN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000180382070 260100093 /nfs/dbraw/zinc/10/00/93/260100093.db2.gz VZHLPSRRYAFKBD-HNNXBMFYSA-N 1 0 260.381 2.194 10 30 CEEERO Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)CCC#N)o1 ZINC000182582400 261944667 /nfs/dbraw/zinc/94/46/67/261944667.db2.gz BGLHAONKGTTWME-LBPRGKRZSA-N 1 0 263.341 2.001 10 30 CEEERO CC1(C)CN(c2ccc(C#N)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000261650551 273585169 /nfs/dbraw/zinc/58/51/69/273585169.db2.gz DIOAGHXJBCXCBR-ZDUSSCGKSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]([NH3+])[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000132461807 274238979 /nfs/dbraw/zinc/23/89/79/274238979.db2.gz VZDVJVSOIOOQPY-VXGBXAGGSA-N 1 0 266.348 2.280 10 30 CEEERO N#Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc2ccccc12 ZINC000261758656 274920637 /nfs/dbraw/zinc/92/06/37/274920637.db2.gz USNRRRVCCWPWNB-IUODEOHRSA-N 1 0 278.359 2.295 10 30 CEEERO C=CCN1C[C@@H]([NH3+])c2cc(Br)ccc21 ZINC000019795863 275429408 /nfs/dbraw/zinc/42/94/08/275429408.db2.gz UYIMTZSEPHRKSG-SNVBAGLBSA-N 1 0 253.143 2.455 10 30 CEEERO C[C@@H]([NH3+])C1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000126627664 278305105 /nfs/dbraw/zinc/30/51/05/278305105.db2.gz BOPGNNCIKYCXCE-SNVBAGLBSA-N 1 0 274.324 2.030 10 30 CEEERO CC1(C)CN(c2cc(C#N)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000261706071 278342006 /nfs/dbraw/zinc/34/20/06/278342006.db2.gz IZOFSHXGEGRGFU-CYBMUJFWSA-N 1 0 274.324 2.030 10 30 CEEERO C[C@@H]1CCN(c2nccc(C#N)c2Cl)[C@H](C[NH3+])C1 ZINC000261590689 278559621 /nfs/dbraw/zinc/55/96/21/278559621.db2.gz XCXSTXVYQGTXAO-KOLCDFICSA-N 1 0 264.760 2.170 10 30 CEEERO N#Cc1cccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000252878307 279534569 /nfs/dbraw/zinc/53/45/69/279534569.db2.gz YFKKMWARTOGPNW-AVGNSLFASA-N 1 0 286.335 2.030 10 30 CEEERO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cccc(F)c2C#N)C1 ZINC000249292372 280391808 /nfs/dbraw/zinc/39/18/08/280391808.db2.gz WQXFPBPYMNEYGT-XHDPSFHLSA-N 1 0 289.354 2.156 10 30 CEEERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000300591892 280579079 /nfs/dbraw/zinc/57/90/79/280579079.db2.gz WXJFHXAMKNALMM-SNPRPXQTSA-N 1 0 274.364 2.076 10 30 CEEERO CCO[C@H]1C[C@@H]([NH2+]CCCCC#N)C12CCOCC2 ZINC000186316884 329340785 /nfs/dbraw/zinc/34/07/85/329340785.db2.gz XBPKBUAIUSCLDP-KGLIPLIRSA-N 1 0 266.385 2.244 10 30 CEEERO Cc1c2ccccc2n(C)c1CNC(=[NH2+])N(C)C1CC1 ZINC000262464959 330014968 /nfs/dbraw/zinc/01/49/68/330014968.db2.gz NMHYZVAUAJUJAA-UHFFFAOYSA-N 1 0 270.380 2.396 10 30 CEEERO C[NH+]=C(NCCC1=CCCCC1)NC[C@@H]1CCC[C@H]1O ZINC000262469867 330015320 /nfs/dbraw/zinc/01/53/20/330015320.db2.gz ICGOYDPLOVCJLR-LSDHHAIUSA-N 1 0 279.428 2.203 10 30 CEEERO Cc1cccc(NC(=[NH2+])N[C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000262685967 330027098 /nfs/dbraw/zinc/02/70/98/330027098.db2.gz AONYYARBGLGKBC-MCIONIFRSA-N 1 0 259.353 2.289 10 30 CEEERO C[NH+]=C(NC[C@@H]1CCCO[C@@H]1C(C)(C)C)N[C@@H]1C[C@H]1C ZINC000262689183 330027307 /nfs/dbraw/zinc/02/73/07/330027307.db2.gz VUGZRBAIKXSXLS-RQJABVFESA-N 1 0 281.444 2.401 10 30 CEEERO C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CCN(c2ccccc2)C1 ZINC000262729925 330028767 /nfs/dbraw/zinc/02/87/67/330028767.db2.gz HVJDOUVEUBCJTD-HIFRSBDPSA-N 1 0 286.423 2.229 10 30 CEEERO COc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000263107520 330043970 /nfs/dbraw/zinc/04/39/70/330043970.db2.gz AGRUTYHVBZKMJU-UWVGGRQHSA-N 1 0 255.268 2.075 10 30 CEEERO C[NH+]=C(NCc1cc(F)cc2c1OCOC2)NC(C)(C)C ZINC000263114611 330044286 /nfs/dbraw/zinc/04/42/86/330044286.db2.gz FJIJYWVXPSUJKS-UHFFFAOYSA-N 1 0 295.358 2.156 10 30 CEEERO COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263195192 330048605 /nfs/dbraw/zinc/04/86/05/330048605.db2.gz ZZGNEOJQSXFJJJ-ONGXEEELSA-N 1 0 269.295 2.213 10 30 CEEERO [NH2+]=C(N[C@@H]1CCC12CCCC2)N1CCSCC1 ZINC000263269229 330051425 /nfs/dbraw/zinc/05/14/25/330051425.db2.gz OJQMEEXDFZONNH-LLVKDONJSA-N 1 0 253.415 2.073 10 30 CEEERO C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)c1ccc(F)c(F)c1 ZINC000424068342 330219563 /nfs/dbraw/zinc/21/95/63/330219563.db2.gz ROEXSTPLMQHUDU-TVQRCGJNSA-N 1 0 281.306 2.163 10 30 CEEERO CC[C@@H]1CN(CCCC(C)(C)C#N)CC[N@@H+]1C[C@H](C)O ZINC000245410120 334190930 /nfs/dbraw/zinc/19/09/30/334190930.db2.gz PMEGMHXSKFXABT-LSDHHAIUSA-N 1 0 281.444 2.093 10 30 CEEERO CCC[C@@H](C)C(=O)NCc1ccccc1C#CC[NH3+] ZINC000049586372 520614051 /nfs/dbraw/zinc/61/40/51/520614051.db2.gz NKUFQWHTVNBXLX-CYBMUJFWSA-N 1 0 258.365 2.049 10 30 CEEERO C#CC[NH2+]CCOc1ccc(Br)cc1F ZINC000053586202 518287070 /nfs/dbraw/zinc/28/70/70/518287070.db2.gz WSYKWTUVTOYDCA-UHFFFAOYSA-N 1 0 272.117 2.190 10 30 CEEERO C#CCOc1ccc(C[NH2+]CCOC)cc1Br ZINC000062728233 518325758 /nfs/dbraw/zinc/32/57/58/518325758.db2.gz FVOZHWULPUKDBF-UHFFFAOYSA-N 1 0 298.180 2.197 10 30 CEEERO C#Cc1cccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000061610990 518364893 /nfs/dbraw/zinc/36/48/93/518364893.db2.gz CQPVEEURZJFURT-INIZCTEOSA-N 1 0 264.328 2.349 10 30 CEEERO CC(C)(C)[NH2+]Cc1ccc(-n2cnc(C#N)n2)cc1 ZINC000062739025 518764828 /nfs/dbraw/zinc/76/48/28/518764828.db2.gz CBXDEZXYZYDVPI-UHFFFAOYSA-N 1 0 255.325 2.027 10 30 CEEERO CC(C)[C@@H](C)C(=O)N(C)Cc1cc(C#CC[NH3+])cs1 ZINC000070125996 519789819 /nfs/dbraw/zinc/78/98/19/519789819.db2.gz LHHFPUBZVYHCFC-GFCCVEGCSA-N 1 0 278.421 2.309 10 30 CEEERO CCC[NH2+]Cc1c(C)nn(Cc2cccnc2C#N)c1C ZINC000061659605 519941479 /nfs/dbraw/zinc/94/14/79/519941479.db2.gz KKWWDSLZBUCVEC-UHFFFAOYSA-N 1 0 283.379 2.315 10 30 CEEERO CCN[C@@](C)(C#N)C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000068614876 520127759 /nfs/dbraw/zinc/12/77/59/520127759.db2.gz MWDNEQYUPAUWPX-NVXWUHKLSA-N 1 0 292.471 2.217 10 30 CEEERO CC[N@@H+](Cc1ccc(F)cc1C#CCO)CC1CC1 ZINC000069239030 521316249 /nfs/dbraw/zinc/31/62/49/521316249.db2.gz GBDCJJBLASTGJW-UHFFFAOYSA-N 1 0 261.340 2.401 10 30 CEEERO CCC(CC)C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1 ZINC000049586620 521484126 /nfs/dbraw/zinc/48/41/26/521484126.db2.gz RORWVABNQXUNBB-UHFFFAOYSA-N 1 0 272.392 2.391 10 30 CEEERO C[NH2+]C(C)(C)C(=O)Nc1ccc(C#N)cc1Br ZINC000061316201 521940890 /nfs/dbraw/zinc/94/08/90/521940890.db2.gz CTIYKQXYZWRSGV-UHFFFAOYSA-N 1 0 296.168 2.257 10 30 CEEERO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1C#N ZINC000054628219 521957882 /nfs/dbraw/zinc/95/78/82/521957882.db2.gz GKNUYWFYDJQHDD-YOGCLGLASA-N 1 0 259.328 2.417 10 30 CEEERO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C#N)c2ccccc2)CC1 ZINC000061615574 522112928 /nfs/dbraw/zinc/11/29/28/522112928.db2.gz ATRZUSRFYAUKQM-GDBMZVCRSA-N 1 0 285.391 2.236 10 30 CEEERO C[NH2+]Cc1ccc(OCC#N)c(Br)c1 ZINC000062700879 522122139 /nfs/dbraw/zinc/12/21/39/522122139.db2.gz PZPOVFNQKRTZHW-UHFFFAOYSA-N 1 0 255.115 2.071 10 30 CEEERO CC[C@H](NC(=O)c1ccc(C#CC[NH3+])cc1)C(C)C ZINC000049148545 522529329 /nfs/dbraw/zinc/52/93/29/522529329.db2.gz VMLVCCFQERBYTJ-HNNXBMFYSA-N 1 0 258.365 2.161 10 30 CEEERO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C#CCCO ZINC000049614662 523507909 /nfs/dbraw/zinc/50/79/09/523507909.db2.gz BVYMEQXENTWXCA-MAUKXSAKSA-N 1 0 287.403 2.420 10 30 CEEERO COc1ccc(C#CC[NH3+])cc1NC(=O)c1ccoc1C ZINC000049587378 523517362 /nfs/dbraw/zinc/51/73/62/523517362.db2.gz QTJAHWWZWZUEED-UHFFFAOYSA-N 1 0 284.315 2.159 10 30 CEEERO COCC[N@H+](C)CCNc1c(C#N)cnc2ccccc21 ZINC000061379665 523614318 /nfs/dbraw/zinc/61/43/18/523614318.db2.gz XTEKDHUBEITYPT-UHFFFAOYSA-N 1 0 284.363 2.097 10 30 CEEERO C[N@@H+]1CC[C@@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000069052363 523962670 /nfs/dbraw/zinc/96/26/70/523962670.db2.gz WWEBLOBUNURNKF-LBPRGKRZSA-N 1 0 266.348 2.470 10 30 CEEERO COc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1C#CCO ZINC000049618509 524010195 /nfs/dbraw/zinc/01/01/95/524010195.db2.gz YPDBCMCGYIYVRS-CYBMUJFWSA-N 1 0 273.376 2.269 10 30 CEEERO C[C@@H]1CCCN(C(=O)c2ccc(C#CC[NH3+])c(F)c2)[C@H]1C ZINC000050568550 524208851 /nfs/dbraw/zinc/20/88/51/524208851.db2.gz VIRNBYHYEFTCST-OLZOCXBDSA-N 1 0 288.366 2.397 10 30 CEEERO C[C@@H]1CCC[N@H+](Cc2ccc(C#CCO)cc2F)C1 ZINC000049616065 524233655 /nfs/dbraw/zinc/23/36/55/524233655.db2.gz GVLRAIMDWXATCD-CYBMUJFWSA-N 1 0 261.340 2.401 10 30 CEEERO C[C@H](C[C@@](C)(C#N)NC1CC1)[N@H+](C)CC1CCOCC1 ZINC000068616533 524627414 /nfs/dbraw/zinc/62/74/14/524627414.db2.gz YCUNBVGRWZYXFG-CJNGLKHVSA-N 1 0 279.428 2.158 10 30 CEEERO C[C@@H]([NH3+])Cc1ccccc1OCc1cccnc1C#N ZINC000061659882 524999445 /nfs/dbraw/zinc/99/94/45/524999445.db2.gz RLAWUGLNJUUHPI-GFCCVEGCSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@@H]([NH3+])Cc1ccc(OCc2cccnc2C#N)cc1 ZINC000061659873 524999344 /nfs/dbraw/zinc/99/93/44/524999344.db2.gz MFBUACVLMJMWGW-GFCCVEGCSA-N 1 0 267.332 2.422 10 30 CEEERO C[C@@H]([NH3+])c1cc(Br)ccc1OCC#N ZINC000052066581 525025334 /nfs/dbraw/zinc/02/53/34/525025334.db2.gz SAAGFKOFRHCTMF-SSDOTTSWSA-N 1 0 255.115 2.371 10 30 CEEERO Cc1ccc(OCc2ccnc(C#N)c2)c(C#CC[NH3+])c1 ZINC000068758978 525444554 /nfs/dbraw/zinc/44/45/54/525444554.db2.gz SPCNSEIQGQVAIS-UHFFFAOYSA-N 1 0 277.327 2.151 10 30 CEEERO C[C@@]([NH3+])(C(=O)Nc1ccc(C#N)cc1)c1ccccc1 ZINC000052881192 525749671 /nfs/dbraw/zinc/74/96/71/525749671.db2.gz YQWQLRCADBVKBE-INIZCTEOSA-N 1 0 265.316 2.371 10 30 CEEERO Cc1cnc(SCc2ccc(C#CC[NH3+])cc2)nc1 ZINC000049612953 526102272 /nfs/dbraw/zinc/10/22/72/526102272.db2.gz HZQTYLFCNQEYEX-UHFFFAOYSA-N 1 0 269.373 2.388 10 30 CEEERO Cc1ccc(C(=O)NCC[NH2+]CCCCC#N)cc1 ZINC000049578447 526165923 /nfs/dbraw/zinc/16/59/23/526165923.db2.gz WGYCDBPUPASYTO-UHFFFAOYSA-N 1 0 259.353 2.008 10 30 CEEERO Cc1cc(C#CC[NH3+])ccc1OCc1ccnc(C#N)c1 ZINC000068758992 526177763 /nfs/dbraw/zinc/17/77/63/526177763.db2.gz BEVVSPIQPIWZBR-UHFFFAOYSA-N 1 0 277.327 2.151 10 30 CEEERO N#CCCN(Cc1ccco1)C(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050947814 526458302 /nfs/dbraw/zinc/45/83/02/526458302.db2.gz NNKBCQHKKJLUHZ-AWEZNQCLSA-N 1 0 289.379 2.444 10 30 CEEERO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CCCO)c1 ZINC000052759563 526637815 /nfs/dbraw/zinc/63/78/15/526637815.db2.gz UMWYPNUYWIFQMK-CQSZACIVSA-N 1 0 262.328 2.434 10 30 CEEERO N#Cc1ccsc1NC(=O)CC[C@@H]1CCCC[NH2+]1 ZINC000050950449 526769654 /nfs/dbraw/zinc/76/96/54/526769654.db2.gz NBVWAVIFLGPHNR-NSHDSACASA-N 1 0 263.366 2.481 10 30 CEEERO Cc1nc(NC(=O)c2ccc(C#CC[NH3+])s2)sc1C ZINC000049105930 526992200 /nfs/dbraw/zinc/99/22/00/526992200.db2.gz YJFYFKFKFQQEGI-UHFFFAOYSA-N 1 0 291.401 2.384 10 30 CEEERO [NH3+]CC#Cc1cc(COCc2ccco2)ccc1F ZINC000049610368 527146802 /nfs/dbraw/zinc/14/68/02/527146802.db2.gz GRUWRLITZLICAG-UHFFFAOYSA-N 1 0 259.280 2.446 10 30 CEEERO [NH3+]CC#Cc1cc(F)ccc1CSc1nncs1 ZINC000049611426 527148038 /nfs/dbraw/zinc/14/80/38/527148038.db2.gz UKVPUAINXRRICH-UHFFFAOYSA-N 1 0 279.365 2.280 10 30 CEEERO C[NH2+]C[C@H]1CCCN(c2nc(C)cc(C)c2C#N)C1 ZINC000040602291 536466052 /nfs/dbraw/zinc/46/60/52/536466052.db2.gz XGERKLVXYWMMFR-CYBMUJFWSA-N 1 0 258.369 2.006 10 30 CEEERO C[C@H]1CCN(c2nc(Cl)c(C#N)s2)C[C@H]1C[NH3+] ZINC000300118833 624701365 /nfs/dbraw/zinc/70/13/65/624701365.db2.gz ALGOKIGYVRIKDP-JGVFFNPUSA-N 1 0 270.789 2.089 10 30 CEEERO C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[C@@H]1C ZINC000083907422 625093755 /nfs/dbraw/zinc/09/37/55/625093755.db2.gz QZJRPTBYVXMXCT-JOYOIKCWSA-N 1 0 291.786 2.061 10 30 CEEERO N#Cc1sc(NC[C@H]2CCCC[NH2+]2)nc1Cl ZINC000236042089 625839201 /nfs/dbraw/zinc/83/92/01/625839201.db2.gz CENWWVPIGSAFED-SSDOTTSWSA-N 1 0 256.762 2.222 10 30 CEEERO N#Cc1sc(NCC[C@H]2CCC[NH2+]C2)nc1Cl ZINC000236076478 625867800 /nfs/dbraw/zinc/86/78/00/625867800.db2.gz APOMROARFWPAHJ-MRVPVSSYSA-N 1 0 270.789 2.470 10 30 CEEERO CC(C)(C(=O)N[C@@H]1CCC[C@H]1C#N)[NH+]1CCCCC1 ZINC000906900434 636884191 /nfs/dbraw/zinc/88/41/91/636884191.db2.gz HMRAEFMJOZUSTB-QWHCGFSZSA-N 1 0 263.385 2.059 10 30 CEEERO CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000089147985 640090533 /nfs/dbraw/zinc/09/05/33/640090533.db2.gz QCRQHVYBQYANRS-NEPJUHHUSA-N 1 0 267.373 2.183 10 30 CEEERO C[C@H]([NH2+]CC(=O)NCCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039596 649719820 /nfs/dbraw/zinc/71/98/20/649719820.db2.gz XEUWNXAARGVFIG-ORVZXPRGSA-N 1 0 289.423 2.211 10 30 CEEERO