smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960523 538907583 /nfs/dbraw/zinc/90/75/83/538907583.db2.gz OUVSDYNVRKKVLN-UHFFFAOYSA-N 1 0 217.312 2.702 10 30 BFEERO CC#CCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960496 538907791 /nfs/dbraw/zinc/90/77/91/538907791.db2.gz NERXXNVUWREPQN-UHFFFAOYSA-N 1 0 229.323 2.539 10 30 BFEERO C=CC[C@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685961024 538908036 /nfs/dbraw/zinc/90/80/36/538908036.db2.gz AAFKEEMYUAXGEH-LBPRGKRZSA-N 1 0 217.312 2.558 10 30 BFEERO C=C(C)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000162099138 538920803 /nfs/dbraw/zinc/92/08/03/538920803.db2.gz OMVACDWZVFAVPZ-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO Cc1ccc(C(=O)/C=C\[n+]2cccc(C)c2)cc1 ZINC000033373997 178370696 /nfs/dbraw/zinc/37/06/96/178370696.db2.gz ASEYJSKTVWZRSK-LUAWRHEFSA-N 1 0 238.310 2.945 10 30 BFEERO C#CC[C@@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000051075239 346832364 /nfs/dbraw/zinc/83/23/64/346832364.db2.gz HEYXWXOWEGPCIV-SECBINFHSA-N 1 0 228.122 2.887 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccccc1C ZINC000390678458 539027053 /nfs/dbraw/zinc/02/70/53/539027053.db2.gz YPWCANQUULREIP-JSGCOSHPSA-N 1 0 219.328 2.583 10 30 BFEERO C#C[C@H]([NH3+])c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000406852595 342878912 /nfs/dbraw/zinc/87/89/12/342878912.db2.gz CEOZNGGXPZBQNW-LBPRGKRZSA-N 1 0 246.310 2.667 10 30 BFEERO Cc1cc(C#N)ccc1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000165203675 342882660 /nfs/dbraw/zinc/88/26/60/342882660.db2.gz DCRNDHQOZCXIFD-IUODEOHRSA-N 1 0 244.338 2.524 10 30 BFEERO C=C(C)C[N@@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000171651390 187227272 /nfs/dbraw/zinc/22/72/72/187227272.db2.gz CKBHQIJUWIOSPD-CQSZACIVSA-N 1 0 245.370 2.700 10 30 BFEERO C#CC[NH2+]Cc1ccc(OCCC)c(OCC)c1 ZINC000045945360 187232950 /nfs/dbraw/zinc/23/29/50/187232950.db2.gz YVLMASNBMAWCOL-UHFFFAOYSA-N 1 0 247.338 2.597 10 30 BFEERO N#Cc1ccc(Oc2ccccc2C[NH3+])c(F)c1 ZINC000075881687 187241779 /nfs/dbraw/zinc/24/17/79/187241779.db2.gz JKLGJZMSQSLLLU-UHFFFAOYSA-N 1 0 242.253 2.948 10 30 BFEERO C=C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000146843213 343317011 /nfs/dbraw/zinc/31/70/11/343317011.db2.gz PISDUWFBUCLVFZ-GFCCVEGCSA-N 1 0 232.283 2.745 10 30 BFEERO C=C(C)C[N@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000105922537 136363943 /nfs/dbraw/zinc/36/39/43/136363943.db2.gz VPWSITYWNVPFSY-ZDUSSCGKSA-N 1 0 233.359 2.659 10 30 BFEERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000054827439 136373227 /nfs/dbraw/zinc/37/32/27/136373227.db2.gz RSYUYUBBJOYLRN-DZGCQCFKSA-N 1 0 244.338 2.656 10 30 BFEERO C=C(C)COCC[NH2+][C@@H](CC)C(C)(C)C ZINC000379981220 365779608 /nfs/dbraw/zinc/77/96/08/365779608.db2.gz HLXOTDWGQSALCM-LBPRGKRZSA-N 1 0 213.365 2.993 10 30 BFEERO CC1CCC(C[NH2+]CC2(C#N)CC2)CC1 ZINC000380273964 343716576 /nfs/dbraw/zinc/71/65/76/343716576.db2.gz XFRZSPGNFSSWJC-UHFFFAOYSA-N 1 0 206.333 2.706 10 30 BFEERO C=C(Br)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000306527608 343839467 /nfs/dbraw/zinc/83/94/67/343839467.db2.gz YBXRGUYTONDIFB-BWVDBABLSA-N 1 0 218.138 2.529 10 30 BFEERO CC#CCOc1ccc2ccccc2c1C[NH3+] ZINC000051662560 187357794 /nfs/dbraw/zinc/35/77/94/187357794.db2.gz AZVOOGZHNHCQQO-UHFFFAOYSA-N 1 0 225.291 2.701 10 30 BFEERO CC#CCOc1c(C)cc(C[C@H](C)[NH3+])cc1C ZINC000051666011 187357847 /nfs/dbraw/zinc/35/78/47/187357847.db2.gz URQKIFFAHLNRBP-ZDUSSCGKSA-N 1 0 231.339 2.595 10 30 BFEERO CC[N@@H+]1CCC2(C1)CCC(CS)CC2 ZINC000095091294 344332987 /nfs/dbraw/zinc/33/29/87/344332987.db2.gz XPAOKACLVGNVRD-UHFFFAOYSA-N 1 0 213.390 2.818 10 30 BFEERO [NH3+][C@H](CS)Cc1ccc2ccccc2c1 ZINC000028255030 344356286 /nfs/dbraw/zinc/35/62/86/344356286.db2.gz YHCSJJIYVVUERF-ZDUSSCGKSA-N 1 0 217.337 2.639 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000054824811 344456474 /nfs/dbraw/zinc/45/64/74/344456474.db2.gz PMZDYLWUTPHNOA-WCQYABFASA-N 1 0 206.333 2.991 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000054822796 344457086 /nfs/dbraw/zinc/45/70/86/344457086.db2.gz QDNWJBMSFYRVHD-YPMHNXCESA-N 1 0 206.333 2.991 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000054824932 344457154 /nfs/dbraw/zinc/45/71/54/344457154.db2.gz IZNDDUDRMCRFCJ-STQMWFEESA-N 1 0 206.333 2.849 10 30 BFEERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054826586 344471743 /nfs/dbraw/zinc/47/17/43/344471743.db2.gz XHDIPZNAPHSYQI-RTXFEEFZSA-N 1 0 234.368 2.961 10 30 BFEERO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C#N)OC ZINC000381295492 344491910 /nfs/dbraw/zinc/49/19/10/344491910.db2.gz PEEZYUMCBPTAGZ-DGAVXFQQSA-N 1 0 238.375 2.719 10 30 BFEERO CC(C)[N@@H+]1CC[C@H](c2cccc(C#N)c2)C1 ZINC000616613900 344526194 /nfs/dbraw/zinc/52/61/94/344526194.db2.gz UXKDDRGSUOLKBN-AWEZNQCLSA-N 1 0 214.312 2.756 10 30 BFEERO [NH3+]CC#Cc1cccc(OCc2ccccc2)c1 ZINC000037547985 344536595 /nfs/dbraw/zinc/53/65/95/344536595.db2.gz SARHAXOPJSVTAN-UHFFFAOYSA-N 1 0 237.302 2.576 10 30 BFEERO C#CC[C@H]([NH3+])c1csc(Br)c1 ZINC000158353772 344612469 /nfs/dbraw/zinc/61/24/69/344612469.db2.gz YPODGJKVPLBFIG-ZETCQYMHSA-N 1 0 230.130 2.534 10 30 BFEERO C[C@@H]([NH3+])[C@@H](C)C(=O)C1=CCCCCCC1 ZINC000235224637 344848836 /nfs/dbraw/zinc/84/88/36/344848836.db2.gz RRCHWERVTHVQPH-GHMZBOCLSA-N 1 0 209.333 2.819 10 30 BFEERO CC(C)(C#N)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000087595471 534988241 /nfs/dbraw/zinc/98/82/41/534988241.db2.gz PPMJTOZHOAMQLF-QWHCGFSZSA-N 1 0 236.359 2.570 10 30 BFEERO Cc1ccc([C@@H]([C@@H](C)[NH3+])N(C)[C@@H](C)CC#N)cc1 ZINC000063085220 178870442 /nfs/dbraw/zinc/87/04/42/178870442.db2.gz VCBMZKHADSBONT-GZBFAFLISA-N 1 0 245.370 2.617 10 30 BFEERO C=CCCC[C@@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000091622043 345601402 /nfs/dbraw/zinc/60/14/02/345601402.db2.gz XWICOODBAKOHII-HUUCEWRRSA-N 1 0 236.403 2.901 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236216912 346211485 /nfs/dbraw/zinc/21/14/85/346211485.db2.gz VLGZDJZCVPLJQR-GDBMZVCRSA-N 1 0 240.350 2.826 10 30 BFEERO C[C@H]([NH3+])C#Cc1ccc(Cl)cc1Cl ZINC000167017981 346183464 /nfs/dbraw/zinc/18/34/64/346183464.db2.gz BSAVDPHFMWVMSV-ZETCQYMHSA-N 1 0 214.095 2.692 10 30 BFEERO N#Cc1ccc(Cl)cc1NC[C@H]1CCCC[NH2+]1 ZINC000062785812 346661352 /nfs/dbraw/zinc/66/13/52/346661352.db2.gz KKCJQDRIVBKFNL-GFCCVEGCSA-N 1 0 249.745 2.766 10 30 BFEERO N#CCCCCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000310558406 347294840 /nfs/dbraw/zinc/29/48/40/347294840.db2.gz DIGMOHMXANMQHK-HNNXBMFYSA-N 1 0 249.402 2.631 10 30 BFEERO Cc1cccc2c1CC[NH2+][C@@H]2CCS ZINC000083731675 179213681 /nfs/dbraw/zinc/21/36/81/179213681.db2.gz FAGLPKGYRHSQNL-GFCCVEGCSA-N 1 0 207.342 2.502 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000590961804 347595498 /nfs/dbraw/zinc/59/54/98/347595498.db2.gz XQDSHOCAWHMBBD-BFHYXJOUSA-N 1 0 248.370 2.760 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000590961806 347595541 /nfs/dbraw/zinc/59/55/41/347595541.db2.gz XQDSHOCAWHMBBD-MELADBBJSA-N 1 0 248.370 2.760 10 30 BFEERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054825569 179283199 /nfs/dbraw/zinc/28/31/99/179283199.db2.gz QCQLXRWDJHNSBD-TZMCWYRMSA-N 1 0 214.312 2.777 10 30 BFEERO C=CC[C@H](SC)[C@H]([NH3+])c1ccccc1 ZINC000196332982 347868505 /nfs/dbraw/zinc/86/85/05/347868505.db2.gz BQYVSAANSXOELQ-NWDGAFQWSA-N 1 0 207.342 2.994 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000595689643 348315926 /nfs/dbraw/zinc/31/59/26/348315926.db2.gz NGBLWAHVPHWTRP-OLZOCXBDSA-N 1 0 204.317 2.769 10 30 BFEERO CCOC1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000597084106 348655471 /nfs/dbraw/zinc/65/54/71/348655471.db2.gz XECLBUZVDIWOOB-GFJIZPEISA-N 1 0 236.359 2.616 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000597197399 348673716 /nfs/dbraw/zinc/67/37/16/348673716.db2.gz XCQYVYVWZQOGKW-YNEHKIRRSA-N 1 0 218.344 2.991 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000253291358 348711732 /nfs/dbraw/zinc/71/17/32/348711732.db2.gz QOMVHQZRZGPMRC-MROQNXINSA-N 1 0 206.333 2.847 10 30 BFEERO CC#CC[C@@H]([NH3+])Cc1ccccc1Cl ZINC000051665842 350022559 /nfs/dbraw/zinc/02/25/59/350022559.db2.gz QNPCVWSPXXXDGX-LLVKDONJSA-N 1 0 207.704 2.623 10 30 BFEERO CCC(=[NH2+])Nc1cc(Br)ccc1F ZINC000062990548 350100009 /nfs/dbraw/zinc/10/00/09/350100009.db2.gz DFGUCXCRUGGTKV-UHFFFAOYSA-N 1 0 245.095 2.987 10 30 BFEERO C=CCC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000384094305 350191401 /nfs/dbraw/zinc/19/14/01/350191401.db2.gz ZMHASMJDCKCWAU-UPJWGTAASA-N 1 0 237.387 2.992 10 30 BFEERO CC1(C#N)CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000226318513 350418309 /nfs/dbraw/zinc/41/83/09/350418309.db2.gz ZFYWPBIVQZZZLG-AWEZNQCLSA-N 1 0 240.350 2.952 10 30 BFEERO N#CC[C@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000397559915 350916490 /nfs/dbraw/zinc/91/64/90/350916490.db2.gz AAUBAVBBBOXMBA-UKRRQHHQSA-N 1 0 240.350 2.952 10 30 BFEERO CCCCCCCCCCNC(=O)[C@@H]([NH3+])CC ZINC000106227233 168650567 /nfs/dbraw/zinc/65/05/67/168650567.db2.gz CYAHMCGXMLLGFJ-ZDUSSCGKSA-N 1 0 242.407 2.981 10 30 BFEERO C=CCC[C@@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000129103643 350989278 /nfs/dbraw/zinc/98/92/78/350989278.db2.gz YKTQHCXEEWKLTE-CYBMUJFWSA-N 1 0 221.300 2.670 10 30 BFEERO N#Cc1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000616632220 351111007 /nfs/dbraw/zinc/11/10/07/351111007.db2.gz MSTGTMPBBIBWKI-CYBMUJFWSA-N 1 0 200.285 2.763 10 30 BFEERO CC(C)[N@@H+]1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616666399 351226765 /nfs/dbraw/zinc/22/67/65/351226765.db2.gz RAIWIXQGBUKGFM-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccnc(Br)c1 ZINC000306915998 351328810 /nfs/dbraw/zinc/32/88/10/351328810.db2.gz WOPMXZWSGUBHHQ-VIFPVBQESA-N 1 0 241.132 2.810 10 30 BFEERO CC[C@@H]1CCCC[C@H]1S/C(NC)=[NH+]/C ZINC000306977466 351397392 /nfs/dbraw/zinc/39/73/92/351397392.db2.gz ZFNYLIWSMMYXFX-NXEZZACHSA-N 1 0 214.378 2.894 10 30 BFEERO CC[C@@H]1CCCC[C@@H]1S/C(NC)=[NH+]/C ZINC000306977469 351397500 /nfs/dbraw/zinc/39/75/00/351397500.db2.gz ZFNYLIWSMMYXFX-ZJUUUORDSA-N 1 0 214.378 2.894 10 30 BFEERO CCCCCCC[C@H](C)[NH2+]CC(=O)NCCC ZINC000059338693 168657889 /nfs/dbraw/zinc/65/78/89/168657889.db2.gz SKPWSKIKACLUTG-ZDUSSCGKSA-N 1 0 242.407 2.851 10 30 BFEERO CCCCCCC[C@H](C)[NH2+][C@H](C)C(=O)NCC ZINC000059345458 168658075 /nfs/dbraw/zinc/65/80/75/168658075.db2.gz BCUVFIJZAZUGDE-QWHCGFSZSA-N 1 0 242.407 2.850 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@@H]1CCCCO1 ZINC000383078495 352363137 /nfs/dbraw/zinc/36/31/37/352363137.db2.gz IAZUAKQPPJIEFB-FQUUOJAGSA-N 1 0 236.359 2.616 10 30 BFEERO CC#CCOc1c(C)cc(C[NH2+]C2CC2)cc1C ZINC000051662328 188045754 /nfs/dbraw/zinc/04/57/54/188045754.db2.gz GSTLNIGKYMGMEP-UHFFFAOYSA-N 1 0 243.350 2.958 10 30 BFEERO C#Cc1cccc(NCCC[NH+]2CCCC2)c1 ZINC000049332195 188046405 /nfs/dbraw/zinc/04/64/05/188046405.db2.gz RPDQTFKZCPUTJB-UHFFFAOYSA-N 1 0 228.339 2.566 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCSCC1 ZINC000336758736 353167612 /nfs/dbraw/zinc/16/76/12/353167612.db2.gz ZQMKLDLUKDLVKR-UHTWSYAYSA-N 1 0 238.400 2.800 10 30 BFEERO C=CC[P@@](=O)(C[NH3+])OCc1ccccc1 ZINC000021993443 188232960 /nfs/dbraw/zinc/23/29/60/188232960.db2.gz CIDWCPSAUQHHMV-HNNXBMFYSA-N 1 0 225.228 2.584 10 30 BFEERO C#CCOc1ccc2ccccc2c1C[NH2+]CC ZINC000037486989 188254928 /nfs/dbraw/zinc/25/49/28/188254928.db2.gz FDGIBPJCAXVGGS-UHFFFAOYSA-N 1 0 239.318 2.961 10 30 BFEERO C=CCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128729136 353301459 /nfs/dbraw/zinc/30/14/59/353301459.db2.gz NTIGXPJHZAFTHX-UONOGXRCSA-N 1 0 233.359 2.923 10 30 BFEERO C#CCN1CCC([NH2+]CCC2CCCCC2)CC1 ZINC000037740089 188326407 /nfs/dbraw/zinc/32/64/07/188326407.db2.gz BOKDDRONWQJEOW-UHFFFAOYSA-N 1 0 248.414 2.644 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000054824872 181058231 /nfs/dbraw/zinc/05/82/31/181058231.db2.gz VDRIRVKFPJUUMY-JQWIXIFHSA-N 1 0 220.341 2.920 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000054826570 181058374 /nfs/dbraw/zinc/05/83/74/181058374.db2.gz XLCFFIBTYVFURY-QWHCGFSZSA-N 1 0 234.368 2.963 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000054822950 181058457 /nfs/dbraw/zinc/05/84/57/181058457.db2.gz GPTDZIUZJSGOAO-KBPBESRZSA-N 1 0 214.312 2.859 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000054825608 181060183 /nfs/dbraw/zinc/06/01/83/181060183.db2.gz QOQGAXWZFDDCPN-STQMWFEESA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000054822948 181067747 /nfs/dbraw/zinc/06/77/47/181067747.db2.gz GPTDZIUZJSGOAO-KGLIPLIRSA-N 1 0 214.312 2.859 10 30 BFEERO C=CCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230645729 363315533 /nfs/dbraw/zinc/31/55/33/363315533.db2.gz UVUHEMYWOFBTMY-ONGXEEELSA-N 1 0 208.305 2.988 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccsc1 ZINC000054826567 181069319 /nfs/dbraw/zinc/06/93/19/181069319.db2.gz XLCFFIBTYVFURY-CHWSQXEVSA-N 1 0 234.368 2.963 10 30 BFEERO CCC#C[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000309780438 491058972 /nfs/dbraw/zinc/05/89/72/491058972.db2.gz MTGKISZQDJMTKV-GHMZBOCLSA-N 1 0 220.291 2.673 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335579781 181087065 /nfs/dbraw/zinc/08/70/65/181087065.db2.gz IKRMSVUIFLSAQA-JOYOIKCWSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1ccc(COCC[C@H]2CCCC[NH2+]2)cc1 ZINC000051862189 181110969 /nfs/dbraw/zinc/11/09/69/181110969.db2.gz ZRJKTSBPPDHBMY-OAHLLOKOSA-N 1 0 244.338 2.607 10 30 BFEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000062791342 181122172 /nfs/dbraw/zinc/12/21/72/181122172.db2.gz GINROQTXVRQDIL-NSHDSACASA-N 1 0 249.745 2.766 10 30 BFEERO N#Cc1ccc(F)c(C[NH2+]CC2CCCC2)c1 ZINC000037258574 181112458 /nfs/dbraw/zinc/11/24/58/181112458.db2.gz SMTAEHAAOCXSLS-UHFFFAOYSA-N 1 0 232.302 2.977 10 30 BFEERO N#Cc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000093210924 181126645 /nfs/dbraw/zinc/12/66/45/181126645.db2.gz AFTCRDNPBIQRQZ-QWRGUYRKSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccccc1NCc1ccccc1C[NH3+] ZINC000061841422 181149179 /nfs/dbraw/zinc/14/91/79/181149179.db2.gz FOHMOLDUYQOCPW-UHFFFAOYSA-N 1 0 237.306 2.629 10 30 BFEERO CC(C)C1CC([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000232539101 363375713 /nfs/dbraw/zinc/37/57/13/363375713.db2.gz DWFXITIUISYCDL-IKWCTNDRSA-N 1 0 206.333 2.703 10 30 BFEERO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CCCS1 ZINC000087793721 355856513 /nfs/dbraw/zinc/85/65/13/355856513.db2.gz BLMGPIMXPMUQHN-IJLUTSLNSA-N 1 0 224.373 2.554 10 30 BFEERO C#CC[C@H]([NH3+])c1cccc(Br)c1C ZINC000168641417 356480916 /nfs/dbraw/zinc/48/09/16/356480916.db2.gz QCTSLOJXASYELA-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO C[C@H]1C[N@@H+](CC2(C#N)CCC2)CC[C@@H]1C ZINC000336196939 134126951 /nfs/dbraw/zinc/12/69/51/134126951.db2.gz FUZGHWMVPKJLEF-RYUDHWBXSA-N 1 0 206.333 2.658 10 30 BFEERO CCC1CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059180 538484428 /nfs/dbraw/zinc/48/44/28/538484428.db2.gz BPLACPPIWOFFCJ-FKZOYECMSA-N 1 0 223.360 2.627 10 30 BFEERO CC(C)C1CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059959 538485260 /nfs/dbraw/zinc/48/52/60/538485260.db2.gz ONQNATDFINHXNW-URGYJCLVSA-N 1 0 237.387 2.873 10 30 BFEERO C=C(C)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114201597 134161521 /nfs/dbraw/zinc/16/15/21/134161521.db2.gz WCOUHUFQKPMQQV-LBPRGKRZSA-N 1 0 205.305 2.513 10 30 BFEERO C=CC[C@H]([NH3+])[C@@H]1CSc2ccccc21 ZINC000160712444 357286647 /nfs/dbraw/zinc/28/66/47/357286647.db2.gz MLLHHDHVOYNWPF-MNOVXSKESA-N 1 0 205.326 2.779 10 30 BFEERO C[NH+](C)CCC#Cc1ccc2ncccc2c1 ZINC000584631280 358282694 /nfs/dbraw/zinc/28/26/94/358282694.db2.gz JWKKXCPMGNMUCH-UHFFFAOYSA-N 1 0 224.307 2.538 10 30 BFEERO CC[N@@H+]1CC[C@H]([C@@H](C#N)c2ccccc2)C1 ZINC000584633694 358317782 /nfs/dbraw/zinc/31/77/82/358317782.db2.gz HGQBYODEQKBUSF-KBPBESRZSA-N 1 0 214.312 2.636 10 30 BFEERO C=CCOc1ccccc1C[NH2+][C@H]1C[C@H]1C ZINC000052273721 358777305 /nfs/dbraw/zinc/77/73/05/358777305.db2.gz OSBZMESDABFISS-YPMHNXCESA-N 1 0 217.312 2.749 10 30 BFEERO C#C[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000130239058 358974278 /nfs/dbraw/zinc/97/42/78/358974278.db2.gz WIXFYRYHRFSIIX-VIFPVBQESA-N 1 0 200.068 2.626 10 30 BFEERO C#C[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000130302321 359139912 /nfs/dbraw/zinc/13/99/12/359139912.db2.gz DFXBLJAZRNRIAO-MRVPVSSYSA-N 1 0 200.068 2.626 10 30 BFEERO C=CCOCC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000309100007 491144840 /nfs/dbraw/zinc/14/48/40/491144840.db2.gz GHOYKKGZEFOZAF-CHWSQXEVSA-N 1 0 211.349 2.747 10 30 BFEERO C=C(C)[C@@H]([NH3+])Cc1cccc(Cl)c1F ZINC000169283915 360069973 /nfs/dbraw/zinc/06/99/73/360069973.db2.gz FYNSMDPGYKYCCM-JTQLQIEISA-N 1 0 213.683 2.925 10 30 BFEERO NC(=[NH2+])Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000013839836 181322434 /nfs/dbraw/zinc/32/24/34/181322434.db2.gz IURKUCAZQFRGML-UHFFFAOYSA-N 1 0 238.505 2.552 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000309957835 491158912 /nfs/dbraw/zinc/15/89/12/491158912.db2.gz JLHFMUJGGCHKIV-XUXIUFHCSA-N 1 0 224.392 2.517 10 30 BFEERO CC#CC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070599105 361583024 /nfs/dbraw/zinc/58/30/24/361583024.db2.gz UZAATIDTRGVUOS-MRVPVSSYSA-N 1 0 244.157 2.924 10 30 BFEERO CC#CC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000070597735 361583288 /nfs/dbraw/zinc/58/32/88/361583288.db2.gz XTIHYDXRVBGEAY-SSDOTTSWSA-N 1 0 244.157 2.924 10 30 BFEERO CC[C@H](C)[N@H+](CCC=O)Cc1ccccc1 ZINC000306640146 361588816 /nfs/dbraw/zinc/58/88/16/361588816.db2.gz OZCCXWBXZUROTN-ZDUSSCGKSA-N 1 0 219.328 2.876 10 30 BFEERO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000054828262 369101263 /nfs/dbraw/zinc/10/12/63/369101263.db2.gz KCLIVHLZOFKSDU-ZIAGYGMSSA-N 1 0 238.375 2.721 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccc(C)c(OC)c1 ZINC000130875975 369308806 /nfs/dbraw/zinc/30/88/06/369308806.db2.gz MHTRFOFTPHSDBU-GFCCVEGCSA-N 1 0 205.301 2.970 10 30 BFEERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CCO1 ZINC000251128531 369675468 /nfs/dbraw/zinc/67/54/68/369675468.db2.gz GNZKVNNMNACHNA-XQQFMLRXSA-N 1 0 236.359 2.616 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000063100007 370132885 /nfs/dbraw/zinc/13/28/85/370132885.db2.gz LQPSNYGYOBZFHF-IUCAKERBSA-N 1 0 220.238 2.611 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000130924023 370378649 /nfs/dbraw/zinc/37/86/49/370378649.db2.gz BPUCHCMIYHGWIP-LBPRGKRZSA-N 1 0 221.300 2.670 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000130983265 370598432 /nfs/dbraw/zinc/59/84/32/370598432.db2.gz AWMJPQPXLALDDY-LBPRGKRZSA-N 1 0 221.300 2.670 10 30 BFEERO C#CC[NH2+]Cc1cc(Br)c(C)s1 ZINC000227760994 371932979 /nfs/dbraw/zinc/93/29/79/371932979.db2.gz YTSASNDUGCQSMY-UHFFFAOYSA-N 1 0 244.157 2.542 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@H]1SCCS[C@@H]1CC ZINC000228144813 371997116 /nfs/dbraw/zinc/99/71/16/371997116.db2.gz CAJWCDIICFFNRV-UTLUCORTSA-N 1 0 217.403 2.517 10 30 BFEERO CCCC[N@H+]([C@@H](C)CC)[C@@H](CC)C/C(N)=N/O ZINC000042607803 168822146 /nfs/dbraw/zinc/82/21/46/168822146.db2.gz LYXGQVHEYCQXME-RYUDHWBXSA-N 1 0 243.395 2.802 10 30 BFEERO COc1ccc(C(=[NH2+])NCc2ccccc2)cc1 ZINC000059389694 372176468 /nfs/dbraw/zinc/17/64/68/372176468.db2.gz QAGIQOCVPLWGGS-UHFFFAOYSA-N 1 0 240.306 2.601 10 30 BFEERO CCC[N@H+](C)[C@H]1CCC2=C(CCCC2=O)C1 ZINC000013973967 169087658 /nfs/dbraw/zinc/08/76/58/169087658.db2.gz PPLKMZZVXLGMGV-LBPRGKRZSA-N 1 0 221.344 2.930 10 30 BFEERO CCCN[C@H](C#N)CCN(CC)c1ccccc1 ZINC000062369385 169284043 /nfs/dbraw/zinc/28/40/43/169284043.db2.gz NFWYYKOKYHZCSZ-AWEZNQCLSA-N 1 0 245.370 2.795 10 30 BFEERO CCCN[C@H](C#N)CCN(C)c1ccc(F)cc1 ZINC000062438155 169284189 /nfs/dbraw/zinc/28/41/89/169284189.db2.gz OVPMQFABQMGMMI-ZDUSSCGKSA-N 1 0 249.333 2.544 10 30 BFEERO CCCSCCOc1ccc(C#CC[NH3+])cc1 ZINC000049611234 169339677 /nfs/dbraw/zinc/33/96/77/169339677.db2.gz AXXZNAUJQFGQQU-UHFFFAOYSA-N 1 0 249.379 2.519 10 30 BFEERO CCCSCCOc1cccc(C#CC[NH3+])c1 ZINC000049611239 169339368 /nfs/dbraw/zinc/33/93/68/169339368.db2.gz SSTQRCMBLJMFDS-UHFFFAOYSA-N 1 0 249.379 2.519 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000334212976 383836920 /nfs/dbraw/zinc/83/69/20/383836920.db2.gz DCDUMAOPUDXFRE-UONOGXRCSA-N 1 0 212.296 2.543 10 30 BFEERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000336782706 384277626 /nfs/dbraw/zinc/27/76/26/384277626.db2.gz YOFZZRSOIULBEM-IIMNLJJBSA-N 1 0 212.296 2.544 10 30 BFEERO SCC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095078987 384356573 /nfs/dbraw/zinc/35/65/73/384356573.db2.gz IEQJEGKMPSHREI-CYBMUJFWSA-N 1 0 221.369 2.828 10 30 BFEERO CCN(CC)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000095082039 384358585 /nfs/dbraw/zinc/35/85/85/384358585.db2.gz YPUSNFKUSXFHCH-UHFFFAOYSA-N 1 0 231.343 2.946 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000165051244 384372477 /nfs/dbraw/zinc/37/24/77/384372477.db2.gz AIULVMXQMKVTMT-KGLIPLIRSA-N 1 0 214.312 2.836 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000165051487 384372519 /nfs/dbraw/zinc/37/25/19/384372519.db2.gz AIULVMXQMKVTMT-ZIAGYGMSSA-N 1 0 214.312 2.836 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233307209 384327037 /nfs/dbraw/zinc/32/70/37/384327037.db2.gz ZOEHMLGOXSEMCH-TZMCWYRMSA-N 1 0 244.338 2.845 10 30 BFEERO Nc1ccc(/C=[NH+]/Cc2ccccc2)cc1 ZINC000095935527 384414829 /nfs/dbraw/zinc/41/48/29/384414829.db2.gz WUYNTJROFFDFCR-LFIBNONCSA-N 1 0 210.280 2.888 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000165168627 384386655 /nfs/dbraw/zinc/38/66/55/384386655.db2.gz VJUNENDKZZJQGD-PWSUYJOCSA-N 1 0 220.341 2.898 10 30 BFEERO C[C@@H](C[NH2+]CCS)C1CCCCC1 ZINC000096328022 384453090 /nfs/dbraw/zinc/45/30/90/384453090.db2.gz MYMPHVPNIHRYNL-JTQLQIEISA-N 1 0 201.379 2.722 10 30 BFEERO C#CCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000070190981 533068223 /nfs/dbraw/zinc/06/82/23/533068223.db2.gz XOVKQDFJTDSZGY-SECBINFHSA-N 1 0 209.239 2.639 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000052273594 384727325 /nfs/dbraw/zinc/72/73/25/384727325.db2.gz MJPDBYHMOYBHSZ-MJVIPROJSA-N 1 0 230.311 2.648 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@@H]1CC1(C)C ZINC000308988770 385334414 /nfs/dbraw/zinc/33/44/14/385334414.db2.gz KMPIAARGCUEXBC-FIQHERPVSA-N 1 0 206.333 2.703 10 30 BFEERO C[N@@H+]1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000258119682 385538974 /nfs/dbraw/zinc/53/89/74/385538974.db2.gz SYMVAWIZSMWEKY-CYBMUJFWSA-N 1 0 214.312 2.758 10 30 BFEERO C=CC[C@@H](CO)C[NH2+]CC1CCC(C)CC1 ZINC000336677192 385609504 /nfs/dbraw/zinc/60/95/04/385609504.db2.gz BKNVODUNRJAJFB-JXQTWKCFSA-N 1 0 225.376 2.587 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000231674749 385774011 /nfs/dbraw/zinc/77/40/11/385774011.db2.gz ASQSOIHYXJAOFN-TZMCWYRMSA-N 1 0 244.338 2.845 10 30 BFEERO C=CCC[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000228614030 386486442 /nfs/dbraw/zinc/48/64/42/386486442.db2.gz LLYOAFWHEPNGGJ-MGPQQGTHSA-N 1 0 225.376 2.992 10 30 BFEERO C[C@H]1CC[C@@H](O)C[N@@H+]1CCCCC(C)(C)C#N ZINC000399483504 387011652 /nfs/dbraw/zinc/01/16/52/387011652.db2.gz QXEJYNWLZGQFSO-QWHCGFSZSA-N 1 0 238.375 2.552 10 30 BFEERO C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398906091 387015722 /nfs/dbraw/zinc/01/57/22/387015722.db2.gz NCCMHDYCFXVQTC-RRFJBIMHSA-N 1 0 237.387 2.826 10 30 BFEERO N#CCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000105938867 387940110 /nfs/dbraw/zinc/94/01/10/387940110.db2.gz NUAQGAACPGPEQD-VIFPVBQESA-N 1 0 220.238 2.564 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000459487795 387951020 /nfs/dbraw/zinc/95/10/20/387951020.db2.gz WLHIIXCKQNWBOA-DCAQKATOSA-N 1 0 228.286 2.704 10 30 BFEERO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000309386491 533297630 /nfs/dbraw/zinc/29/76/30/533297630.db2.gz FDMYCHOQNREORU-CTHBEMJXSA-N 1 0 213.324 2.790 10 30 BFEERO Cc1ccc(C#N)c(N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000063196679 132389216 /nfs/dbraw/zinc/38/92/16/132389216.db2.gz PAXWGTXLRDXLAZ-OCCSQVGLSA-N 1 0 243.354 2.573 10 30 BFEERO CC(C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000082999637 133514064 /nfs/dbraw/zinc/51/40/64/133514064.db2.gz DKQSJWNVYHOQOB-UHFFFAOYSA-N 1 0 214.312 2.608 10 30 BFEERO N#CC1(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)CCC1 ZINC000336201067 134130337 /nfs/dbraw/zinc/13/03/37/134130337.db2.gz ORFIFJBHPPESJP-OAHLLOKOSA-N 1 0 248.370 2.573 10 30 BFEERO N#CCCCC[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000363037632 134215101 /nfs/dbraw/zinc/21/51/01/134215101.db2.gz KGZPWKYSMHSONU-OLZOCXBDSA-N 1 0 206.333 2.945 10 30 BFEERO C[C@@H](C#N)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181917148 134340695 /nfs/dbraw/zinc/34/06/95/134340695.db2.gz RHCFPBIWQYPYKX-SWLSCSKDSA-N 1 0 243.354 2.802 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000226608271 134367865 /nfs/dbraw/zinc/36/78/65/134367865.db2.gz BQPSJZNRGDDVOT-NWANDNLSSA-N 1 0 226.323 2.956 10 30 BFEERO CC#CCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000248399027 135004908 /nfs/dbraw/zinc/00/49/08/135004908.db2.gz VETGZHNXGMUXSH-ZBFHGGJFSA-N 1 0 243.350 2.862 10 30 BFEERO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253091524 135121404 /nfs/dbraw/zinc/12/14/04/135121404.db2.gz JUMLNXMLZNEZII-MCIONIFRSA-N 1 0 223.360 2.578 10 30 BFEERO Cc1ccc([C@H](C)[NH2+][C@H](C)CCC#N)o1 ZINC000278899597 135369188 /nfs/dbraw/zinc/36/91/88/135369188.db2.gz IPJVTWUFUSFISB-KOLCDFICSA-N 1 0 206.289 2.931 10 30 BFEERO CC[C@@](C)([NH3+])C#Cc1sccc1Cl ZINC000307475016 398103165 /nfs/dbraw/zinc/10/31/65/398103165.db2.gz AWVLJFAJOQCONZ-SNVBAGLBSA-N 1 0 213.733 2.880 10 30 BFEERO C#CCCOc1ccc(C)cc1C[C@H]([NH3+])CC ZINC000104362635 166150445 /nfs/dbraw/zinc/15/04/45/166150445.db2.gz XWGZJXUMZQCSDT-CQSZACIVSA-N 1 0 231.339 2.677 10 30 BFEERO C#CCCOc1ccc2c(c1)CCC[C@@H]2[NH2+]C ZINC000044745226 166150495 /nfs/dbraw/zinc/15/04/95/166150495.db2.gz OWTONCRZJMHZDM-HNNXBMFYSA-N 1 0 229.323 2.686 10 30 BFEERO C#CCCOc1ccc2c(c1)CCC[C@H]2[NH2+]C ZINC000044745225 166150053 /nfs/dbraw/zinc/15/00/53/166150053.db2.gz OWTONCRZJMHZDM-OAHLLOKOSA-N 1 0 229.323 2.686 10 30 BFEERO C#CCC[C@H]([NH2+]C)c1ccc2ccccc2n1 ZINC000104360185 166151411 /nfs/dbraw/zinc/15/14/11/166151411.db2.gz VXTYZTJQGPPFQT-AWEZNQCLSA-N 1 0 224.307 2.909 10 30 BFEERO C=CCCCCC[NH2+]C[C@@H](O)C(C)(C)C ZINC000324449497 487616426 /nfs/dbraw/zinc/61/64/26/487616426.db2.gz FYKWKNFVDLJDRN-GFCCVEGCSA-N 1 0 213.365 2.729 10 30 BFEERO C#CC[NH2+]CCOc1ccc(C(C)(C)C)cc1C ZINC000053587095 166186674 /nfs/dbraw/zinc/18/66/74/166186674.db2.gz PPEVYNUWEXLYAB-UHFFFAOYSA-N 1 0 245.366 2.894 10 30 BFEERO C#CC[NH2+]C[C@@H](C)Oc1ccc2ccccc2c1 ZINC000053567352 166186715 /nfs/dbraw/zinc/18/67/15/166186715.db2.gz BJNPFAQRBHJLAR-CYBMUJFWSA-N 1 0 239.318 2.830 10 30 BFEERO C#CC[NH2+]C[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000053566019 166188861 /nfs/dbraw/zinc/18/88/61/166188861.db2.gz SRGFIVKVQHYYCT-ZDUSSCGKSA-N 1 0 245.366 2.974 10 30 BFEERO C#CC[NH2+]C[C@H](C)Oc1ccc2ccccc2c1 ZINC000053567351 166188911 /nfs/dbraw/zinc/18/89/11/166188911.db2.gz BJNPFAQRBHJLAR-ZDUSSCGKSA-N 1 0 239.318 2.830 10 30 BFEERO C#[N+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000035572254 166225550 /nfs/dbraw/zinc/22/55/50/166225550.db2.gz WLVYNAFBYMLVNG-AWEZNQCLSA-N 1 0 243.330 2.573 10 30 BFEERO C=CCCOc1cc(C[NH2+]C)nc2ccccc21 ZINC000103927532 166289273 /nfs/dbraw/zinc/28/92/73/166289273.db2.gz FPGAARNQYKJOMC-UHFFFAOYSA-N 1 0 242.322 2.909 10 30 BFEERO C=CC[NH+](CC=C)C[C@@H]1CNc2ccccc2O1 ZINC000020071308 166335811 /nfs/dbraw/zinc/33/58/11/166335811.db2.gz WWGKRKPZMHDZJK-ZDUSSCGKSA-N 1 0 244.338 2.534 10 30 BFEERO C=CC[N@H+]1CCC[C@@](C)(c2cccc(O)c2)C1 ZINC000003637915 166354862 /nfs/dbraw/zinc/35/48/62/166354862.db2.gz PDNXCHZQJQBVIV-OAHLLOKOSA-N 1 0 231.339 2.932 10 30 BFEERO C=CC[NH2+]CCC(=O)c1c(C)cc(C)cc1C ZINC000049822159 166398421 /nfs/dbraw/zinc/39/84/21/166398421.db2.gz GZTKXTHSSUYNIT-UHFFFAOYSA-N 1 0 231.339 2.960 10 30 BFEERO C=CC[NH2+]CC[C@H](O)c1ccc(C)c(C)c1 ZINC000049817430 166399872 /nfs/dbraw/zinc/39/98/72/166399872.db2.gz AURZKCZWGLYAKQ-AWEZNQCLSA-N 1 0 219.328 2.503 10 30 BFEERO C=C(Cl)C[NH2+]C1CC(c2ccccn2)C1 ZINC000308879581 410785145 /nfs/dbraw/zinc/78/51/45/410785145.db2.gz PHLRCYFADKKFCC-UHFFFAOYSA-N 1 0 222.719 2.670 10 30 BFEERO CC[NH+](CC)CCN(CCC#N)c1ccccc1 ZINC000019513999 169776568 /nfs/dbraw/zinc/77/65/68/169776568.db2.gz WDKDRQSVUSEHKY-UHFFFAOYSA-N 1 0 245.370 2.748 10 30 BFEERO CC(C)CN[C@@]1(C#N)CCc2ccccc2C1 ZINC000037939306 167012606 /nfs/dbraw/zinc/01/26/06/167012606.db2.gz SBUFYCDPOJBLSD-HNNXBMFYSA-N 1 0 228.339 2.683 10 30 BFEERO CC(C)C[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127393294 167012904 /nfs/dbraw/zinc/01/29/04/167012904.db2.gz XDOQCMHRMCDEHY-SECBINFHSA-N 1 0 208.330 2.926 10 30 BFEERO CC(C)N[C@H](C#N)CCO[C@@H]1CCC[C@@H](C)C1 ZINC000062441503 167136469 /nfs/dbraw/zinc/13/64/69/167136469.db2.gz OXPRURQALMQZFW-HZSPNIEDSA-N 1 0 238.375 2.862 10 30 BFEERO CC(C)Oc1ncccc1C[NH2+]CCCCC#N ZINC000049578510 167314699 /nfs/dbraw/zinc/31/46/99/167314699.db2.gz JSKVMWGWPRYIJY-UHFFFAOYSA-N 1 0 247.342 2.652 10 30 BFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(CC)C1 ZINC000658033802 411209054 /nfs/dbraw/zinc/20/90/54/411209054.db2.gz DEEIZTPGWODPQJ-KFWWJZLASA-N 1 0 236.403 2.805 10 30 BFEERO CCC(C)(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000020035999 168298682 /nfs/dbraw/zinc/29/86/82/168298682.db2.gz SFSMPVQYAGZXNJ-UHFFFAOYSA-N 1 0 220.291 2.976 10 30 BFEERO C=CCC1([NH2+]Cc2nnc(C)n2CC)CCCC1 ZINC000661849694 411901490 /nfs/dbraw/zinc/90/14/90/411901490.db2.gz ZBTLAXUEFZRNON-UHFFFAOYSA-N 1 0 248.374 2.585 10 30 BFEERO CC[C@H](C)[N@H+](CC)Cc1cccc(C#CCO)c1 ZINC000049617612 171311580 /nfs/dbraw/zinc/31/15/80/171311580.db2.gz HMPJCZDDNJEPOT-AWEZNQCLSA-N 1 0 245.366 2.651 10 30 BFEERO CC[C@H](C)[N@H+](CCOC)[C@@H]1CCCC[C@@H]1C#N ZINC000042582719 171315889 /nfs/dbraw/zinc/31/58/89/171315889.db2.gz JMRORVVLUURGSN-BFHYXJOUSA-N 1 0 238.375 2.816 10 30 BFEERO C[N@@H+]1CCC[C@](C#N)(c2ccccc2)CC1 ZINC000002046340 173062355 /nfs/dbraw/zinc/06/23/55/173062355.db2.gz OSTBUYKRALHHBD-AWEZNQCLSA-N 1 0 214.312 2.564 10 30 BFEERO COC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000319926163 174005126 /nfs/dbraw/zinc/00/51/26/174005126.db2.gz SGTLNBQBOVUXMG-OLZOCXBDSA-N 1 0 236.359 2.618 10 30 BFEERO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000054823415 175091470 /nfs/dbraw/zinc/09/14/70/175091470.db2.gz ZCZKZVGOFPULFD-DZGCQCFKSA-N 1 0 244.338 2.520 10 30 BFEERO C[C@@H]([NH3+])Cc1nc(-c2ccc(C#N)cc2)cs1 ZINC000054160998 175807932 /nfs/dbraw/zinc/80/79/32/175807932.db2.gz KRNCGHNGXMIRKG-SECBINFHSA-N 1 0 243.335 2.571 10 30 BFEERO C[C@@H]1CC[C@@H](C#N)[C@H]([N@@H+]2CCCSCC2)C1 ZINC000042443924 176194671 /nfs/dbraw/zinc/19/46/71/176194671.db2.gz UBCRFLZPZMMESS-FRRDWIJNSA-N 1 0 238.400 2.754 10 30 BFEERO C[C@H]([NH3+])Cc1nc(-c2ccc(C#N)cc2)cs1 ZINC000054160997 176762593 /nfs/dbraw/zinc/76/25/93/176762593.db2.gz KRNCGHNGXMIRKG-VIFPVBQESA-N 1 0 243.335 2.571 10 30 BFEERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1S ZINC000073654541 177265469 /nfs/dbraw/zinc/26/54/69/177265469.db2.gz GGFAEBAPIVACQB-AAEUAGOBSA-N 1 0 221.369 2.827 10 30 BFEERO C[C@H]1C[C@H]1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000104408241 177378584 /nfs/dbraw/zinc/37/85/84/177378584.db2.gz PRYQEPANRJNAPY-JSGCOSHPSA-N 1 0 244.338 2.525 10 30 BFEERO C=CCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000168568906 487521634 /nfs/dbraw/zinc/52/16/34/487521634.db2.gz LOLDXSRROROMHP-JTQLQIEISA-N 1 0 221.348 2.747 10 30 BFEERO C=C(CC)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000251228777 534399152 /nfs/dbraw/zinc/39/91/52/534399152.db2.gz PNFYAPYOCVCQMP-UONOGXRCSA-N 1 0 223.360 2.580 10 30 BFEERO ON=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000242723217 527642992 /nfs/dbraw/zinc/64/29/92/527642992.db2.gz YGUBLIFXKQYDAG-UONOGXRCSA-N 1 0 244.338 2.749 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404066284 528427274 /nfs/dbraw/zinc/42/72/74/528427274.db2.gz NXYAIBFSKLAIDY-FZMZJTMJSA-N 1 0 232.302 2.976 10 30 BFEERO CC[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[C@H]1C ZINC000262813054 535260540 /nfs/dbraw/zinc/26/05/40/535260540.db2.gz UYBQMAZUNNXPHP-VXGBXAGGSA-N 1 0 237.391 2.530 10 30 BFEERO CC[NH+]=C(NCC1(CC)CCC1)N[C@@H]1C[C@@H]1C ZINC000261830131 535260977 /nfs/dbraw/zinc/26/09/77/535260977.db2.gz VHIAYEMLTRNZOV-NWDGAFQWSA-N 1 0 237.391 2.530 10 30 BFEERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000251790715 535824624 /nfs/dbraw/zinc/82/46/24/535824624.db2.gz XKHAWGPOUPJQCL-NDBYEHHHSA-N 1 0 206.333 2.847 10 30 BFEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000261997691 535876833 /nfs/dbraw/zinc/87/68/33/535876833.db2.gz OMVZEYVLTZZSMT-GWCFXTLKSA-N 1 0 245.370 2.946 10 30 BFEERO C#CC[NH2+]C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757171515 582551511 /nfs/dbraw/zinc/55/15/11/582551511.db2.gz UPFOSKVEPRGPGU-SECBINFHSA-N 1 0 243.759 2.778 10 30 BFEERO C=C(Cl)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000129818141 591411726 /nfs/dbraw/zinc/41/17/26/591411726.db2.gz AERINVFVSZTXDV-QWHCGFSZSA-N 1 0 242.794 2.688 10 30 BFEERO C#CCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168261302 632456064 /nfs/dbraw/zinc/45/60/64/632456064.db2.gz ITQXACXUSFYPDQ-UHFFFAOYSA-N 1 0 211.667 2.592 10 30 BFEERO CC(C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814095 636024755 /nfs/dbraw/zinc/02/47/55/636024755.db2.gz GJJLCBDKBLRESX-CYBMUJFWSA-N 1 0 201.313 2.672 10 30 BFEERO CCCCCCCCC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000310180176 635310388 /nfs/dbraw/zinc/31/03/88/635310388.db2.gz NIIYRWFDYBUCCC-CHWSQXEVSA-N 1 0 240.391 2.685 10 30 BFEERO C=C(Br)C[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000321902457 636758020 /nfs/dbraw/zinc/75/80/20/636758020.db2.gz NWRLROLZALJQJY-FXBDTBDDSA-N 1 0 232.165 2.919 10 30 BFEERO CCCCCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157378576 640669542 /nfs/dbraw/zinc/66/95/42/640669542.db2.gz QNRWTOXRAMCJBA-CYBMUJFWSA-N 1 0 240.391 2.509 10 30 BFEERO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891032 641005144 /nfs/dbraw/zinc/00/51/44/641005144.db2.gz PJTNGLHGZPWDQJ-HIFRSBDPSA-N 1 0 243.354 2.534 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231951105 641219753 /nfs/dbraw/zinc/21/97/53/641219753.db2.gz VZIVMXPVQBSAQH-HTQZYQBOSA-N 1 0 238.278 2.521 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000233305617 642657007 /nfs/dbraw/zinc/65/70/07/642657007.db2.gz IMPSCIMQVUNMSS-HUUCEWRRSA-N 1 0 213.324 2.816 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000233402057 642667857 /nfs/dbraw/zinc/66/78/57/642667857.db2.gz IMPSCIMQVUNMSS-GJZGRUSLSA-N 1 0 213.324 2.816 10 30 BFEERO C#CCC[NH2+]Cc1cccc(OC(C)C)c1 ZINC000069768618 642902814 /nfs/dbraw/zinc/90/28/14/642902814.db2.gz GWOGHZBRNSIFID-UHFFFAOYSA-N 1 0 217.312 2.587 10 30 BFEERO C#CCC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000070246045 643005539 /nfs/dbraw/zinc/00/55/39/643005539.db2.gz TUELPRPAMXODKI-UHFFFAOYSA-N 1 0 230.355 2.646 10 30 BFEERO C#CCC[NH2+]Cc1ccc(OCCCC)cc1 ZINC000070245945 643006449 /nfs/dbraw/zinc/00/64/49/643006449.db2.gz WMZHJXNFZNLVDS-UHFFFAOYSA-N 1 0 231.339 2.978 10 30 BFEERO C#CCC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000082863386 643385473 /nfs/dbraw/zinc/38/54/73/643385473.db2.gz VJMJBTDRLZPVCE-ZJUUUORDSA-N 1 0 219.250 2.720 10 30 BFEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092278450 644652102 /nfs/dbraw/zinc/65/21/02/644652102.db2.gz MQBZYPMEKOSFPT-DGCLKSJQSA-N 1 0 237.391 2.802 10 30 BFEERO C=C/C=C\CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000713501813 712463685 /nfs/dbraw/zinc/46/36/85/712463685.db2.gz LZVLHYJKNKXJRW-FGTRRKKMSA-N 1 0 204.317 2.791 10 30 BFEERO C=C1CCC(C[NH2+]C[C@@H](O)C(C)(C)C)CC1 ZINC000724589134 711595862 /nfs/dbraw/zinc/59/58/62/711595862.db2.gz PGOOMSHDNMKOIZ-CYBMUJFWSA-N 1 0 225.376 2.729 10 30 BFEERO CCCCCCCNC(=O)C1CCC([NH3+])CC1 ZINC000705954534 712138440 /nfs/dbraw/zinc/13/84/40/712138440.db2.gz QDLSDXZQWBXDJQ-UHFFFAOYSA-N 1 0 240.391 2.591 10 30 BFEERO CN(CCCCCC[NH3+])c1ccc(C#N)cc1F ZINC000710695325 712254605 /nfs/dbraw/zinc/25/46/05/712254605.db2.gz TUZPXVQOYGBYBN-UHFFFAOYSA-N 1 0 249.333 2.653 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711091361 712279443 /nfs/dbraw/zinc/27/94/43/712279443.db2.gz TXTZUQVJXCGUFB-MEBFFEOJSA-N 1 0 218.344 2.847 10 30 BFEERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C12CCC2 ZINC000713487733 712462253 /nfs/dbraw/zinc/46/22/53/712462253.db2.gz IUGRUXLZUGTISP-YIYPIFLZSA-N 1 0 248.370 2.616 10 30 BFEERO C/[NH+]=C(\c1ccc(C)cc1)N1CCCCC1 ZINC000033853231 187320997 /nfs/dbraw/zinc/32/09/97/187320997.db2.gz XVPXTGXDMANSKR-CCEZHUSRSA-N 1 0 216.328 2.857 10 30 BFEERO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378690341 346809827 /nfs/dbraw/zinc/80/98/27/346809827.db2.gz IEEDNADMZGZOMY-XJFOESAGSA-N 1 0 225.376 2.870 10 30 BFEERO Cc1ccc(C(=O)/C=C\[n+]2ccccc2)cc1 ZINC000033373992 178370758 /nfs/dbraw/zinc/37/07/58/178370758.db2.gz KMSQMKXKSPRSQJ-XFXZXTDPSA-N 1 0 224.283 2.636 10 30 BFEERO C#CC[C@@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000051074706 346833359 /nfs/dbraw/zinc/83/33/59/346833359.db2.gz MONKSMCLUYNJOP-SNVBAGLBSA-N 1 0 228.122 2.887 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc(C#N)c1 ZINC000037321410 361906638 /nfs/dbraw/zinc/90/66/38/361906638.db2.gz JKVKWBACMHCIRK-CQDKDKBSSA-N 1 0 244.338 2.512 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000380150257 538986402 /nfs/dbraw/zinc/98/64/02/538986402.db2.gz XPPFAZWBFWKWTI-BDAKNGLRSA-N 1 0 245.775 2.989 10 30 BFEERO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000380150278 538986475 /nfs/dbraw/zinc/98/64/75/538986475.db2.gz XPPFAZWBFWKWTI-RKDXNWHRSA-N 1 0 245.775 2.989 10 30 BFEERO C#C[C@H](CC)[NH2+][C@H]1CSCC(C)(C)C1 ZINC000229895184 342853337 /nfs/dbraw/zinc/85/33/37/342853337.db2.gz QBOIEAPSIKLSCN-GHMZBOCLSA-N 1 0 211.374 2.520 10 30 BFEERO CC[C@@H]([NH3+])C#Cc1cscc1Br ZINC000229905151 342854547 /nfs/dbraw/zinc/85/45/47/342854547.db2.gz XZRYCGIQSKEROB-MRVPVSSYSA-N 1 0 244.157 2.599 10 30 BFEERO CC(C)NC(=[NH2+])c1cccc(Br)c1 ZINC000059924738 342875861 /nfs/dbraw/zinc/87/58/61/342875861.db2.gz MJUBJJNMFKQVRR-UHFFFAOYSA-N 1 0 241.132 2.563 10 30 BFEERO CC(C)CNC(=[NH2+])c1ccc(Cl)cc1 ZINC000059925817 342876232 /nfs/dbraw/zinc/87/62/32/342876232.db2.gz IYTNAIFBBFLHID-UHFFFAOYSA-N 1 0 210.708 2.701 10 30 BFEERO C#C[C@@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000407076984 342891603 /nfs/dbraw/zinc/89/16/03/342891603.db2.gz NAPXQHGBULEVPS-GFCCVEGCSA-N 1 0 246.310 2.667 10 30 BFEERO C=CCOc1ccccc1C[NH2+]CCCOC=C ZINC000034991782 187208548 /nfs/dbraw/zinc/20/85/48/187208548.db2.gz PCQWDZOWOYALJN-UHFFFAOYSA-N 1 0 247.338 2.891 10 30 BFEERO N#Cc1cccc(CN2C[C@@H]3CCC[C@H]32)c1F ZINC000335900228 136258641 /nfs/dbraw/zinc/25/86/41/136258641.db2.gz UMXRDHYRJQFJGR-WCQYABFASA-N 1 0 230.286 2.682 10 30 BFEERO CN/C(Cc1ccc2ccccc2c1)=[NH+]\C ZINC000011681519 343015368 /nfs/dbraw/zinc/01/53/68/343015368.db2.gz NAHCWQNNENHGNH-UHFFFAOYSA-N 1 0 212.296 2.630 10 30 in-man BFEERO CCn1cc(CC[C@@H](C)[NH3+])c2cc(C#N)ccc21 ZINC000584882467 343084685 /nfs/dbraw/zinc/08/46/85/343084685.db2.gz LAEMJSYTWWYXDM-LLVKDONJSA-N 1 0 241.338 2.813 10 30 BFEERO C[C@@H]1CC(C=O)C[C@@H](C)[NH+]1C1CCCC1 ZINC000584883418 343086218 /nfs/dbraw/zinc/08/62/18/343086218.db2.gz NIGQKCDWYRRHNV-GHMZBOCLSA-N 1 0 209.333 2.617 10 30 BFEERO CC(C)CC[NH+]1[C@H](C)CC(C=O)C[C@H]1C ZINC000584883529 343086717 /nfs/dbraw/zinc/08/67/17/343086717.db2.gz ROLABVLUSFVIPB-VXGBXAGGSA-N 1 0 211.349 2.720 10 30 BFEERO C=C(C)C[N@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000105922532 136363869 /nfs/dbraw/zinc/36/38/69/136363869.db2.gz VPWSITYWNVPFSY-CYBMUJFWSA-N 1 0 233.359 2.659 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000054828470 136373208 /nfs/dbraw/zinc/37/32/08/136373208.db2.gz PKELCYSXCBQHCO-AVGNSLFASA-N 1 0 204.317 2.625 10 30 BFEERO C#CCC[C@@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300926960 343495685 /nfs/dbraw/zinc/49/56/85/343495685.db2.gz QJWKNSVTFXOZFG-NXEZZACHSA-N 1 0 201.260 2.553 10 30 BFEERO C#CC[NH2+][C@H](C)c1ccc(CCC)cc1 ZINC000019875618 166192609 /nfs/dbraw/zinc/19/26/09/166192609.db2.gz NHUDXEWOPFVZAG-GFCCVEGCSA-N 1 0 201.313 2.923 10 30 BFEERO C#CC[NH2+][C@H](C)c1ccc(OCCC)cc1 ZINC000019875602 166192633 /nfs/dbraw/zinc/19/26/33/166192633.db2.gz ITFKWKUZIWPHAG-GFCCVEGCSA-N 1 0 217.312 2.759 10 30 BFEERO CSc1ccc(C[N@@H+]2CCC[C@H](C=O)C2)cc1 ZINC000054218687 187272490 /nfs/dbraw/zinc/27/24/90/187272490.db2.gz XVWFZPNGDQAISG-ZDUSSCGKSA-N 1 0 249.379 2.819 10 30 BFEERO C[C@@H]1CCCC[N@@H+]1CC1(C=O)CCCC1 ZINC000051175318 346974576 /nfs/dbraw/zinc/97/45/76/346974576.db2.gz XMAOGBYBRNXKFU-GFCCVEGCSA-N 1 0 209.333 2.620 10 30 BFEERO C=C(Cl)CN1CCC([NH2+]C2CCCC2)CC1 ZINC000121374695 349869221 /nfs/dbraw/zinc/86/92/21/349869221.db2.gz XVJRVSBSJAZMKM-UHFFFAOYSA-N 1 0 242.794 2.736 10 30 BFEERO CC(C)(C)C[C@H]([NH3+])c1cccc(C#N)c1 ZINC000238081610 537817327 /nfs/dbraw/zinc/81/73/27/537817327.db2.gz JRJAGGSDEIGGAO-LBPRGKRZSA-N 1 0 202.301 2.994 10 30 BFEERO CC#CC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785819 346989814 /nfs/dbraw/zinc/98/98/14/346989814.db2.gz MGQDJZXZLXZMSU-NSHDSACASA-N 1 0 211.667 2.892 10 30 BFEERO Cc1ccc2c(c1)CC[NH2+][C@@H]2[C@H](C)S ZINC000075640760 187277732 /nfs/dbraw/zinc/27/77/32/187277732.db2.gz ICRLSDGVBHTCKU-JOYOIKCWSA-N 1 0 207.342 2.500 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@H]1C ZINC000395171493 344118549 /nfs/dbraw/zinc/11/85/49/344118549.db2.gz RCDFPUFRMLHJRX-MLGHIDQZSA-N 1 0 206.333 2.703 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)[C@@H]1C ZINC000395171495 344118849 /nfs/dbraw/zinc/11/88/49/344118849.db2.gz RCDFPUFRMLHJRX-VEGXAWMVSA-N 1 0 206.333 2.703 10 30 BFEERO CC#CC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792079 347048019 /nfs/dbraw/zinc/04/80/19/347048019.db2.gz FAKBAPSZTIBNLG-NSHDSACASA-N 1 0 211.667 2.892 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227490089 344450963 /nfs/dbraw/zinc/45/09/63/344450963.db2.gz DOJZOMDCNBTVET-OFQRWUPVSA-N 1 0 240.350 2.998 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC000054824931 344456996 /nfs/dbraw/zinc/45/69/96/344456996.db2.gz IZNDDUDRMCRFCJ-QWHCGFSZSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000220702085 344571489 /nfs/dbraw/zinc/57/14/89/344571489.db2.gz CQLBQVFUIDWOIS-TUAOUCFPSA-N 1 0 224.373 2.554 10 30 BFEERO CCCN/C(COc1ccccc1)=[NH+]\CCC ZINC000029416889 344602022 /nfs/dbraw/zinc/60/20/22/344602022.db2.gz YRKVFMIOQQKKTC-UHFFFAOYSA-N 1 0 234.343 2.874 10 30 BFEERO C=C[C@@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000235213740 344846521 /nfs/dbraw/zinc/84/65/21/344846521.db2.gz UUYHATHDDXTUGC-CQSZACIVSA-N 1 0 232.371 2.673 10 30 BFEERO C=CCn1c(C)[nH+]c(-c2cc(F)ccc2F)c1N ZINC000103501067 187298503 /nfs/dbraw/zinc/29/85/03/187298503.db2.gz AQIHCMXKSDZKHH-UHFFFAOYSA-N 1 0 249.264 2.905 10 30 BFEERO C#CC[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155294892 345076110 /nfs/dbraw/zinc/07/61/10/345076110.db2.gz XATRCBITHHJVRB-GXTWGEPZSA-N 1 0 229.323 2.506 10 30 BFEERO C=C[C@@H]([NH3+])c1c(C)cccc1Br ZINC000238499102 345064278 /nfs/dbraw/zinc/06/42/78/345064278.db2.gz PNTXRHWJTCJMCM-SECBINFHSA-N 1 0 226.117 2.943 10 30 BFEERO CC(C)(C#N)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000227834884 534988852 /nfs/dbraw/zinc/98/88/52/534988852.db2.gz PPMJTOZHOAMQLF-CHWSQXEVSA-N 1 0 236.359 2.570 10 30 BFEERO N#Cc1cccc(Oc2ccc(C[NH3+])cc2)c1 ZINC000113984248 345754888 /nfs/dbraw/zinc/75/48/88/345754888.db2.gz BGUBDVCEXZOYIJ-UHFFFAOYSA-N 1 0 224.263 2.809 10 30 BFEERO C=CCC[C@H]([NH3+])c1cccc(OC)c1OC ZINC000163376270 345763821 /nfs/dbraw/zinc/76/38/21/345763821.db2.gz YAOAVLWIYYOXDC-NSHDSACASA-N 1 0 221.300 2.670 10 30 BFEERO C[C@@H](/N=C1\C[NH+]2CCC1CC2)c1ccccc1 ZINC000034320823 345820728 /nfs/dbraw/zinc/82/07/28/345820728.db2.gz JMSVSYGBFAMFEG-IUDBQGPFSA-N 1 0 228.339 2.914 10 30 BFEERO C=C[C@@H]([NH2+]C)c1csc(Br)c1 ZINC000163905942 345780626 /nfs/dbraw/zinc/78/06/26/345780626.db2.gz FMQLHKLKJBEQNA-SSDOTTSWSA-N 1 0 232.146 2.957 10 30 BFEERO C=CC[C@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000307626864 345867405 /nfs/dbraw/zinc/86/74/05/345867405.db2.gz KUNHQCKODIHQOQ-HNNXBMFYSA-N 1 0 230.355 2.556 10 30 BFEERO C#CC[C@@H]([NH3+])c1cccc(C)c1Br ZINC000235809348 345915463 /nfs/dbraw/zinc/91/54/63/345915463.db2.gz XJFWOLZHBCEDBS-SNVBAGLBSA-N 1 0 238.128 2.781 10 30 BFEERO C#CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000019875328 187314725 /nfs/dbraw/zinc/31/47/25/187314725.db2.gz HHTLXQZNSBRLOL-UHFFFAOYSA-N 1 0 201.313 2.707 10 30 BFEERO C=CC[C@@H]([NH3+])c1ccoc1Br ZINC000236320851 346225549 /nfs/dbraw/zinc/22/55/49/346225549.db2.gz UFWHFPHKEYSROW-SSDOTTSWSA-N 1 0 216.078 2.618 10 30 BFEERO C=C[C@H]([NH3+])c1ccc(F)c(F)c1Br ZINC000229826628 346467119 /nfs/dbraw/zinc/46/71/19/346467119.db2.gz GUJPTQOOAWJZIA-ZETCQYMHSA-N 1 0 248.070 2.913 10 30 BFEERO C#C[C@@H](CC)[NH2+][C@@H]1CSCC(C)(C)C1 ZINC000229895171 346474165 /nfs/dbraw/zinc/47/41/65/346474165.db2.gz QBOIEAPSIKLSCN-QWRGUYRKSA-N 1 0 211.374 2.520 10 30 BFEERO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592180433 347759548 /nfs/dbraw/zinc/75/95/48/347759548.db2.gz RTJVBNNZTWLCQA-QJPTWQEYSA-N 1 0 206.333 2.704 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595688059 348313856 /nfs/dbraw/zinc/31/38/56/348313856.db2.gz FWNGTRBYYWBRHM-HPCHECBXSA-N 1 0 218.344 2.704 10 30 BFEERO N#Cc1ccc([C@H]([NH3+])c2ccccc2)cc1 ZINC000204779191 348403548 /nfs/dbraw/zinc/40/35/48/348403548.db2.gz UCAZAYPOGHJSEF-CQSZACIVSA-N 1 0 208.264 2.606 10 30 BFEERO C#CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037423262 348431012 /nfs/dbraw/zinc/43/10/12/348431012.db2.gz UIRWGFDYSVODSI-UHFFFAOYSA-N 1 0 214.095 2.716 10 30 BFEERO C=CCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000129811102 490171346 /nfs/dbraw/zinc/17/13/46/490171346.db2.gz WRRTWADDZSTHSE-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000597084140 348655246 /nfs/dbraw/zinc/65/52/46/348655246.db2.gz XNEQBVQOTRKSDE-SDDRHHMPSA-N 1 0 224.373 2.554 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000054822795 348661845 /nfs/dbraw/zinc/66/18/45/348661845.db2.gz QDNWJBMSFYRVHD-DGCLKSJQSA-N 1 0 206.333 2.991 10 30 BFEERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000323904181 348635199 /nfs/dbraw/zinc/63/51/99/348635199.db2.gz RCDDRDUUWHCMOY-AGIUHOORSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000253291360 348711507 /nfs/dbraw/zinc/71/15/07/348711507.db2.gz QOMVHQZRZGPMRC-VOAKCMCISA-N 1 0 206.333 2.847 10 30 BFEERO CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000599415561 349166951 /nfs/dbraw/zinc/16/69/51/349166951.db2.gz MORDTWZKOSXFIE-VXGBXAGGSA-N 1 0 206.333 2.704 10 30 BFEERO CC1(C)CC(C[NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000599415558 349166985 /nfs/dbraw/zinc/16/69/85/349166985.db2.gz MORDTWZKOSXFIE-NEPJUHHUSA-N 1 0 206.333 2.704 10 30 BFEERO CC#CC[C@H]([NH3+])c1ccccc1Br ZINC000051665797 350022440 /nfs/dbraw/zinc/02/24/40/350022440.db2.gz SKWUKOQYOWKYLS-NSHDSACASA-N 1 0 238.128 2.862 10 30 BFEERO [NH2+]=C(Nc1cc(Cl)ccc1F)C1CC1 ZINC000062990331 350099798 /nfs/dbraw/zinc/09/97/98/350099798.db2.gz OHIXUGZSQGEPFI-UHFFFAOYSA-N 1 0 212.655 2.878 10 30 BFEERO C=CC[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000163173492 350508883 /nfs/dbraw/zinc/50/88/83/350508883.db2.gz BYDNGEQSYRJCTK-SECBINFHSA-N 1 0 209.264 2.586 10 30 BFEERO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163182617 350512469 /nfs/dbraw/zinc/51/24/69/350512469.db2.gz FGIGRCPAVNQIJG-MJBXVCDLSA-N 1 0 223.360 2.578 10 30 BFEERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccccc1C#N ZINC000616598152 350656563 /nfs/dbraw/zinc/65/65/63/350656563.db2.gz HAGJGDNIFHMZDH-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO CC[N@@H+]1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616617085 350861290 /nfs/dbraw/zinc/86/12/90/350861290.db2.gz FTPJZDRUCNLWSM-AWEZNQCLSA-N 1 0 214.312 2.758 10 30 BFEERO NC(=[NH2+])Nc1cc(Cl)c(Cl)cc1Cl ZINC000052091861 350917287 /nfs/dbraw/zinc/91/72/87/350917287.db2.gz UIWGKUXZEXSTHR-UHFFFAOYSA-N 1 0 238.505 2.552 10 30 BFEERO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@H]1C#N ZINC000336740567 191127855 /nfs/dbraw/zinc/12/78/55/191127855.db2.gz MKVPGYCUSUVQCR-UTLUCORTSA-N 1 0 234.265 2.999 10 30 BFEERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CS1 ZINC000336691057 350987091 /nfs/dbraw/zinc/98/70/91/350987091.db2.gz WRCGDPRBQTUISN-XQHKEYJVSA-N 1 0 238.400 2.798 10 30 BFEERO C=C(CS)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000231633175 350990316 /nfs/dbraw/zinc/99/03/16/350990316.db2.gz XGKOPNLXQFIXRW-RYUDHWBXSA-N 1 0 211.374 2.737 10 30 BFEERO C=CCC[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000129133491 350995694 /nfs/dbraw/zinc/99/56/94/350995694.db2.gz ANZZEUZXTFEOHR-GFCCVEGCSA-N 1 0 221.300 2.670 10 30 BFEERO CCCCCCCC[NH2+][C@@H](C)C(=O)NCCC ZINC000059134411 168652826 /nfs/dbraw/zinc/65/28/26/168652826.db2.gz PKXNNBBXIUAQMK-ZDUSSCGKSA-N 1 0 242.407 2.851 10 30 BFEERO N#Cc1cccc(CCCC2CC[NH2+]CC2)c1 ZINC000222900870 351159930 /nfs/dbraw/zinc/15/99/30/351159930.db2.gz LMSXOYAHAZNTSX-UHFFFAOYSA-N 1 0 228.339 2.881 10 30 BFEERO C/C(=C\Cl)C[NH+]1CCC(C)(C#N)CC1 ZINC000232003432 351507454 /nfs/dbraw/zinc/50/74/54/351507454.db2.gz QDQYSHITQWDJQY-JXMROGBWSA-N 1 0 212.724 2.755 10 30 BFEERO CC#CC[C@@H]([NH3+])c1cc(Br)oc1C ZINC000307123317 351490852 /nfs/dbraw/zinc/49/08/52/351490852.db2.gz OBCAJLMAYCWQCE-SECBINFHSA-N 1 0 242.116 2.764 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000088163010 351671700 /nfs/dbraw/zinc/67/17/00/351671700.db2.gz PJHIMBRXQAVFHY-WCFLWFBJSA-N 1 0 206.333 2.847 10 30 BFEERO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000336735341 351905733 /nfs/dbraw/zinc/90/57/33/351905733.db2.gz LSCJBMKGXOJNMH-MELADBBJSA-N 1 0 225.376 2.729 10 30 BFEERO C=CCC[C@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000336738097 351981726 /nfs/dbraw/zinc/98/17/26/351981726.db2.gz JZGJYVWDXIYICD-QWHCGFSZSA-N 1 0 223.360 2.747 10 30 BFEERO C=CCC[C@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000320286630 259426103 /nfs/dbraw/zinc/42/61/03/259426103.db2.gz PCTMNUHUHCYXNB-JXQTWKCFSA-N 1 0 225.376 2.729 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@H]1CCCCO1 ZINC000383078500 352362664 /nfs/dbraw/zinc/36/26/64/352362664.db2.gz IAZUAKQPPJIEFB-REWJHTLYSA-N 1 0 236.359 2.616 10 30 BFEERO C#CC[C@@H]([NH3+])c1cscc1Br ZINC000404784646 352430262 /nfs/dbraw/zinc/43/02/62/352430262.db2.gz LIHQTIDKPXKXSW-MRVPVSSYSA-N 1 0 230.130 2.534 10 30 BFEERO C[C@H]1[C@@H](S)CC[N@@H+]1Cc1ccccc1 ZINC000307446301 352602050 /nfs/dbraw/zinc/60/20/50/352602050.db2.gz CXVYRAXVUKPVNF-JQWIXIFHSA-N 1 0 207.342 2.579 10 30 BFEERO CC(C)(CS)C[N@@H+]1CCC2(CCC2)C1 ZINC000307540163 352644404 /nfs/dbraw/zinc/64/44/04/352644404.db2.gz VOMPNLHFNPZUDL-UHFFFAOYSA-N 1 0 213.390 2.818 10 30 BFEERO SCC[NH2+]CCCC1CCCCC1 ZINC000005413321 187930076 /nfs/dbraw/zinc/93/00/76/187930076.db2.gz KZANQIANAOMIHI-UHFFFAOYSA-N 1 0 201.379 2.866 10 30 BFEERO C=C[C@@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745497 188013680 /nfs/dbraw/zinc/01/36/80/188013680.db2.gz BJQCYEAUVGSAIK-RKDXNWHRSA-N 1 0 209.264 2.799 10 30 BFEERO CC#CC[C@H](Cc1cccc(OC)c1)[NH2+]CC ZINC000051665634 188046048 /nfs/dbraw/zinc/04/60/48/188046048.db2.gz YLWCHPHMMWQNHK-CQSZACIVSA-N 1 0 231.339 2.629 10 30 BFEERO CN/C(Cc1ccc2cc(OC)ccc2c1)=[NH+]\C ZINC000029416382 188283916 /nfs/dbraw/zinc/28/39/16/188283916.db2.gz AFRHNYVSPUXHLX-UHFFFAOYSA-N 1 0 242.322 2.639 10 30 BFEERO C=CCOc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000041225968 188322754 /nfs/dbraw/zinc/32/27/54/188322754.db2.gz ZAJVWAZNCUGRAX-MRVPVSSYSA-N 1 0 211.692 2.925 10 30 BFEERO C#C[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133155573 353396892 /nfs/dbraw/zinc/39/68/92/353396892.db2.gz LRFAVSDSTGFLGD-SECBINFHSA-N 1 0 200.068 2.626 10 30 BFEERO CCCNC1=[NH+][C@H](C)c2ccccc2N1 ZINC000029131556 188357849 /nfs/dbraw/zinc/35/78/49/188357849.db2.gz IOTYITSEKLQPMA-SECBINFHSA-N 1 0 203.289 2.529 10 30 in-vivo BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000054824073 181059523 /nfs/dbraw/zinc/05/95/23/181059523.db2.gz AVTZATJPSRUBKH-CMPLNLGQSA-N 1 0 220.341 2.572 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000305973849 181059685 /nfs/dbraw/zinc/05/96/85/181059685.db2.gz GYZTUNOJUAXYON-IHRRRGAJSA-N 1 0 248.370 2.618 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000104442652 181067203 /nfs/dbraw/zinc/06/72/03/181067203.db2.gz ZLKGGLCLKUSRJJ-OCCSQVGLSA-N 1 0 236.359 2.618 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000054824869 181068408 /nfs/dbraw/zinc/06/84/08/181068408.db2.gz VDRIRVKFPJUUMY-ZYHUDNBSSA-N 1 0 220.341 2.920 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000054822947 181069026 /nfs/dbraw/zinc/06/90/26/181069026.db2.gz GPTDZIUZJSGOAO-ZIAGYGMSSA-N 1 0 214.312 2.859 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000054827425 181069344 /nfs/dbraw/zinc/06/93/44/181069344.db2.gz VMJZVOHHSHGWQF-UKRRQHHQSA-N 1 0 244.338 2.737 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000054824071 181069629 /nfs/dbraw/zinc/06/96/29/181069629.db2.gz AVTZATJPSRUBKH-ZYHUDNBSSA-N 1 0 220.341 2.572 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@H]1[NH3+] ZINC000052858644 181087185 /nfs/dbraw/zinc/08/71/85/181087185.db2.gz MDWTVTHOWZXQMU-DGCLKSJQSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@H]1CCCC[C@@H]1[NH3+] ZINC000052858643 181087445 /nfs/dbraw/zinc/08/74/45/181087445.db2.gz MDWTVTHOWZXQMU-AAEUAGOBSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(OC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000104326745 181129004 /nfs/dbraw/zinc/12/90/04/181129004.db2.gz UVPXJJPVQRXZMP-OAHLLOKOSA-N 1 0 238.290 2.637 10 30 BFEERO N#Cc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000032188259 181130277 /nfs/dbraw/zinc/13/02/77/181130277.db2.gz DOYWXGCIGRFJEW-INIZCTEOSA-N 1 0 234.302 2.793 10 30 BFEERO N#Cc1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000013806197 181131140 /nfs/dbraw/zinc/13/11/40/181131140.db2.gz FKYYQTPGCWRMGM-UHFFFAOYSA-N 1 0 225.295 2.507 10 30 BFEERO N#Cc1ccccc1C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368100018 181145357 /nfs/dbraw/zinc/14/53/57/181145357.db2.gz OWZFYKJOOGZGNS-HUUCEWRRSA-N 1 0 226.323 2.933 10 30 BFEERO CC(C)C1CC([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000232539143 363375811 /nfs/dbraw/zinc/37/58/11/363375811.db2.gz DWFXITIUISYCDL-YWPUVAFDSA-N 1 0 206.333 2.703 10 30 BFEERO CSC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCC1 ZINC000235118956 363439066 /nfs/dbraw/zinc/43/90/66/363439066.db2.gz ACBSBEJNGMPBIW-MNOVXSKESA-N 1 0 224.373 2.554 10 30 BFEERO C=CC[NH2+]CC[C@@H](O)c1ccc(Cl)cc1 ZINC000049820294 166398404 /nfs/dbraw/zinc/39/84/04/166398404.db2.gz ZCLFMCCQYUYMNB-GFCCVEGCSA-N 1 0 225.719 2.539 10 30 BFEERO C=C(Cl)Cn1ccc2c1CCC[C@@H]2[NH3+] ZINC000168074574 356490662 /nfs/dbraw/zinc/49/06/62/356490662.db2.gz RNMSABYHLNCYAQ-JTQLQIEISA-N 1 0 210.708 2.577 10 30 BFEERO C[C@H]1C[C@H](C)C[NH+](CC2(C#N)CCC2)C1 ZINC000336189578 134122850 /nfs/dbraw/zinc/12/28/50/134122850.db2.gz GESNETOJTDMKCA-RYUDHWBXSA-N 1 0 206.333 2.658 10 30 BFEERO C[C@@H]1C[C@H](C)C[N@@H+](CC2(C#N)CCC2)C1 ZINC000336189579 134123141 /nfs/dbraw/zinc/12/31/41/134123141.db2.gz GESNETOJTDMKCA-TXEJJXNPSA-N 1 0 206.333 2.658 10 30 BFEERO C=CCOCC[NH2+]CC1CCC(C)CC1 ZINC000379824962 538460717 /nfs/dbraw/zinc/46/07/17/538460717.db2.gz VRPFPQZQIJKNJF-UHFFFAOYSA-N 1 0 211.349 2.605 10 30 BFEERO CC1(C)CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059669 538485379 /nfs/dbraw/zinc/48/53/79/538485379.db2.gz KWABNQBBOLSVMG-WCQYABFASA-N 1 0 223.360 2.627 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000168660840 356890330 /nfs/dbraw/zinc/89/03/30/356890330.db2.gz XGCCGJBREDALQO-SNVBAGLBSA-N 1 0 242.091 2.611 10 30 BFEERO C#CC[C@H]([NH2+]C)c1ccc(C)c(Cl)c1 ZINC000168677559 357057632 /nfs/dbraw/zinc/05/76/32/357057632.db2.gz UCFZPERYWINHNW-LBPRGKRZSA-N 1 0 207.704 2.932 10 30 BFEERO C#CC[C@H]([NH3+])c1sccc1Br ZINC000168678470 357066684 /nfs/dbraw/zinc/06/66/84/357066684.db2.gz VKPZZCONIHQDES-ZETCQYMHSA-N 1 0 230.130 2.534 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000223889711 357146175 /nfs/dbraw/zinc/14/61/75/357146175.db2.gz QKKPOSJOQLFJIQ-MELADBBJSA-N 1 0 236.359 2.618 10 30 BFEERO C[C@@H]([NH3+])[C@H](C)C(=O)C1=CCCCCCC1 ZINC000300063166 357182969 /nfs/dbraw/zinc/18/29/69/357182969.db2.gz RRCHWERVTHVQPH-WDEREUQCSA-N 1 0 209.333 2.819 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc(C)ccc1Br ZINC000168686135 357185358 /nfs/dbraw/zinc/18/53/58/357185358.db2.gz OPAYNSRCTSGTQV-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO C=CC[N@@H+](C)C[C@H]1CCc2ccccc2C1=O ZINC000584612931 358277113 /nfs/dbraw/zinc/27/71/13/358277113.db2.gz VBZNVYQFOJXRBP-CYBMUJFWSA-N 1 0 229.323 2.550 10 30 BFEERO CC/N=C1\CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC000584601675 358258983 /nfs/dbraw/zinc/25/89/83/358258983.db2.gz LQNSKXVIONJOOG-WTNDLDAUSA-N 1 0 228.339 2.841 10 30 BFEERO C=C1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000584649812 358304201 /nfs/dbraw/zinc/30/42/01/358304201.db2.gz MYCKGWXTAYDPBJ-UHFFFAOYSA-N 1 0 222.376 2.511 10 30 BFEERO CC(C)[NH+]1CCC(N[C@H]2CCCC[C@H]2C#N)CC1 ZINC000387476595 366412131 /nfs/dbraw/zinc/41/21/31/366412131.db2.gz ZYGWANMIIROAMB-ZFWWWQNUSA-N 1 0 249.402 2.531 10 30 BFEERO CC(C)[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000387476080 366412248 /nfs/dbraw/zinc/41/22/48/366412248.db2.gz ZYGWANMIIROAMB-UKRRQHHQSA-N 1 0 249.402 2.531 10 30 BFEERO C#C[C@@H]([NH3+])c1ccc(Br)c(Cl)c1 ZINC000130221998 358960483 /nfs/dbraw/zinc/96/04/83/358960483.db2.gz JSIALJMPPCDBOR-SECBINFHSA-N 1 0 244.519 2.736 10 30 BFEERO CC(C)[C@H]([NH3+])CNc1ccc(Cl)cc1C#N ZINC000070010909 359038056 /nfs/dbraw/zinc/03/80/56/359038056.db2.gz BQYMSHBONRFDIZ-LLVKDONJSA-N 1 0 237.734 2.607 10 30 BFEERO C#C[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000130302078 359138927 /nfs/dbraw/zinc/13/89/27/359138927.db2.gz DFXBLJAZRNRIAO-QMMMGPOBSA-N 1 0 200.068 2.626 10 30 BFEERO C#C[C@H]([NH2+]C)c1cc(Br)ccc1C ZINC000130322058 359501148 /nfs/dbraw/zinc/50/11/48/359501148.db2.gz OIVIBCXDUASRKW-NSHDSACASA-N 1 0 238.128 2.651 10 30 BFEERO C#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306396886 359762198 /nfs/dbraw/zinc/76/21/98/359762198.db2.gz IAJDCJSYGNJPAR-HIFRSBDPSA-N 1 0 213.324 2.968 10 30 BFEERO C=C(C)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000351751168 366539932 /nfs/dbraw/zinc/53/99/32/366539932.db2.gz HALKPUNSTDEDHH-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000351751169 366540325 /nfs/dbraw/zinc/54/03/25/366540325.db2.gz HALKPUNSTDEDHH-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO C=CCCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309145302 491145604 /nfs/dbraw/zinc/14/56/04/491145604.db2.gz UZQFMNXDGSSIMU-NSHDSACASA-N 1 0 208.305 2.990 10 30 BFEERO C=CC[C@@H]([NH3+])c1coc(Br)c1 ZINC000306509366 360324980 /nfs/dbraw/zinc/32/49/80/360324980.db2.gz BRIBRWPIXBQZDZ-SSDOTTSWSA-N 1 0 216.078 2.618 10 30 BFEERO C[C@@H]1CC[N@H+](CC(C)(C)CS)CCS1 ZINC000306554808 360427856 /nfs/dbraw/zinc/42/78/56/360427856.db2.gz LQTNHOFAEZQKIJ-SNVBAGLBSA-N 1 0 233.446 2.770 10 30 BFEERO C[C@H](/N=C1\C[NH+]2CCC1CC2)c1ccccc1 ZINC000034320822 360457003 /nfs/dbraw/zinc/45/70/03/360457003.db2.gz JMSVSYGBFAMFEG-VVLLMFOMSA-N 1 0 228.339 2.914 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000070597679 361583053 /nfs/dbraw/zinc/58/30/53/361583053.db2.gz QGNNIWCEGDGKSN-ZCFIWIBFSA-N 1 0 230.130 2.534 10 30 BFEERO C=CC[C@@H](CC)[NH2+]Cc1csc(COC)n1 ZINC000310038082 491159869 /nfs/dbraw/zinc/15/98/69/491159869.db2.gz VTOGOYQVUXKVKO-SNVBAGLBSA-N 1 0 240.372 2.734 10 30 BFEERO [NH3+]CC#Cc1cccc(COc2ccccc2)c1 ZINC000049610528 181345713 /nfs/dbraw/zinc/34/57/13/181345713.db2.gz MZMICFHZFZAHQR-UHFFFAOYSA-N 1 0 237.302 2.576 10 30 BFEERO C=C[C@@H]([NH2+]C)c1ccc(F)c(F)c1F ZINC000130664885 363931137 /nfs/dbraw/zinc/93/11/37/363931137.db2.gz KPKSAYRWIRXENC-MRVPVSSYSA-N 1 0 201.191 2.550 10 30 BFEERO C=C[C@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000161667532 370875342 /nfs/dbraw/zinc/87/53/42/370875342.db2.gz OEUQLRYVNCEHPM-JTQLQIEISA-N 1 0 226.117 2.943 10 30 BFEERO [NH3+]CCc1cccc(C#Cc2ccccc2)c1 ZINC000044398209 368331921 /nfs/dbraw/zinc/33/19/21/368331921.db2.gz CFERUGMMMIKBHV-UHFFFAOYSA-N 1 0 221.303 2.588 10 30 BFEERO CCCCCCCCOC(=O)C[N+](C)(C)C ZINC000095858853 368419986 /nfs/dbraw/zinc/41/99/86/368419986.db2.gz ZQVRWLJKTADVLH-UHFFFAOYSA-N 1 0 230.372 2.596 10 30 BFEERO N#Cc1cc(Cl)ccc1NCCC1(C[NH3+])CC1 ZINC000404666364 369433253 /nfs/dbraw/zinc/43/32/53/369433253.db2.gz ALZBKUVJKFIRJN-UHFFFAOYSA-N 1 0 249.745 2.753 10 30 BFEERO C[C@H]1SCC[N@H+](CC(C)(C)CS)[C@@H]1C ZINC000132804763 371925259 /nfs/dbraw/zinc/92/52/59/371925259.db2.gz XWXFFEGWBAEMJM-NXEZZACHSA-N 1 0 233.446 2.768 10 30 BFEERO C=C(C)C[C@H]([NH3+])[C@@H]1SCCS[C@@H]1C ZINC000228110169 371991473 /nfs/dbraw/zinc/99/14/73/371991473.db2.gz UXXUGYLEOFUBRE-KXUCPTDWSA-N 1 0 217.403 2.517 10 30 BFEERO CCC[N@H+](Cc1ccc(C#CCO)cc1)C(C)C ZINC000049617651 169175372 /nfs/dbraw/zinc/17/53/72/169175372.db2.gz TZHHLKCMAFYNMV-UHFFFAOYSA-N 1 0 245.366 2.651 10 30 BFEERO CCCN[C@@](C)(C#N)CC[N@@H+]1CCCC1(C)C ZINC000063072524 169284313 /nfs/dbraw/zinc/28/43/13/169284313.db2.gz UFUSGPUEUNHZLN-CQSZACIVSA-N 1 0 237.391 2.533 10 30 BFEERO CCCN[C@H](C#N)CCOc1ccc(C)cc1C ZINC000062445435 169284381 /nfs/dbraw/zinc/28/43/81/169284381.db2.gz LERVXWLQJKWPNC-AWEZNQCLSA-N 1 0 246.354 2.964 10 30 BFEERO CCCN[C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846545 169283564 /nfs/dbraw/zinc/28/35/64/169283564.db2.gz WPLIUFUSABKAJX-OAHLLOKOSA-N 1 0 246.354 2.910 10 30 BFEERO CCC[C@@H](C)[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049613223 169365035 /nfs/dbraw/zinc/36/50/35/169365035.db2.gz MQLFCUUECDWZQM-CQSZACIVSA-N 1 0 245.366 2.651 10 30 BFEERO N#Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)ccc1F ZINC000334912996 383979761 /nfs/dbraw/zinc/97/97/61/383979761.db2.gz OMLLSQMEPIZIQZ-SMDDNHRTSA-N 1 0 230.286 2.682 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000227598455 134385814 /nfs/dbraw/zinc/38/58/14/134385814.db2.gz LHURWZQNLVKFEK-RISCZKNCSA-N 1 0 232.302 2.976 10 30 BFEERO C[NH+](C)C12C[C@H]3C[C@H](CC(S)(C3)C1)C2 ZINC000004737647 384081139 /nfs/dbraw/zinc/08/11/39/384081139.db2.gz UZGOMPLLTWRYJA-ZYANWLCNSA-N 1 0 211.374 2.569 10 30 BFEERO N#Cc1ccc(F)cc1CN1C[C@H]2CCC[C@H]21 ZINC000335771127 384371210 /nfs/dbraw/zinc/37/12/10/384371210.db2.gz UFKZTBAHEKHFGI-BXUZGUMPSA-N 1 0 230.286 2.682 10 30 BFEERO C=CC[C@@H](CO)Nc1cc(C)[nH+]c2ccccc12 ZINC000302150624 384974477 /nfs/dbraw/zinc/97/44/77/384974477.db2.gz TZGOGGCECCZCAG-LBPRGKRZSA-N 1 0 242.322 2.892 10 30 BFEERO C=CCCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000245645495 385040603 /nfs/dbraw/zinc/04/06/03/385040603.db2.gz FSQAWYKGQQXAIW-HUUCEWRRSA-N 1 0 231.339 2.543 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000300688176 385343306 /nfs/dbraw/zinc/34/33/06/385343306.db2.gz QKKPOSJOQLFJIQ-MJBXVCDLSA-N 1 0 236.359 2.618 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309089424 385412592 /nfs/dbraw/zinc/41/25/92/385412592.db2.gz BPAMYPSVHZSZBT-LOWDOPEQSA-N 1 0 206.333 2.847 10 30 BFEERO Cc1ccc([C@H](C)NCCC#N)c(C)c1 ZINC000020199774 385423132 /nfs/dbraw/zinc/42/31/32/385423132.db2.gz KQCZOTCTAYJIAM-LBPRGKRZSA-N 1 0 202.301 2.868 10 30 BFEERO C[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000258072537 385533860 /nfs/dbraw/zinc/53/38/60/385533860.db2.gz OKSWDBMDNCANEV-CYBMUJFWSA-N 1 0 214.312 2.758 10 30 BFEERO C[C@@H](CCCC[NH3+])Nc1ccc(F)cc1C#N ZINC000336687828 385706125 /nfs/dbraw/zinc/70/61/25/385706125.db2.gz GTTDXCGUFXUZCG-JTQLQIEISA-N 1 0 235.306 2.627 10 30 BFEERO C=CCCCCC[N@H+]1C[C@H](O)CC[C@@H]1C ZINC000399145126 386420760 /nfs/dbraw/zinc/42/07/60/386420760.db2.gz BSKINEGWMUWAAM-QWHCGFSZSA-N 1 0 211.349 2.578 10 30 BFEERO Cc1cnc([C@H](C)[NH2+]CCCC(C)(C)C#N)o1 ZINC000230642113 134515642 /nfs/dbraw/zinc/51/56/42/134515642.db2.gz HEWSTRKNWQPOOW-NSHDSACASA-N 1 0 235.331 2.964 10 30 BFEERO O=C(C[N+](=O)[C@@H]1CCCC1=NO)c1ccccc1 ZINC000575427123 387055064 /nfs/dbraw/zinc/05/50/64/387055064.db2.gz SLVXLPNGLOMUOJ-POKNLVKOSA-O 1 0 247.274 2.705 10 30 BFEERO C[C@H]1CC[C@H](O)C[N@@H+]1CCCCC(C)(C)C#N ZINC000399483507 387011533 /nfs/dbraw/zinc/01/15/33/387011533.db2.gz QXEJYNWLZGQFSO-STQMWFEESA-N 1 0 238.375 2.552 10 30 BFEERO C=CC(C)(C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000527927933 387793477 /nfs/dbraw/zinc/79/34/77/387793477.db2.gz SAKDZCUTAZFNTL-JHJVBQTASA-N 1 0 237.387 2.992 10 30 BFEERO C=C(Br)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000154350422 388608310 /nfs/dbraw/zinc/60/83/10/388608310.db2.gz MRLABLLVYYYRAD-UWVGGRQHSA-N 1 0 230.149 2.627 10 30 BFEERO CC(C)[C@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405107932 388637319 /nfs/dbraw/zinc/63/73/19/388637319.db2.gz LUTZWDJRPZFHNM-NSHDSACASA-N 1 0 214.312 2.918 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309089428 133456016 /nfs/dbraw/zinc/45/60/16/133456016.db2.gz BPAMYPSVHZSZBT-NDBYEHHHSA-N 1 0 206.333 2.847 10 30 BFEERO C=CC[C@@H](CO)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309092246 133456161 /nfs/dbraw/zinc/45/61/61/133456161.db2.gz CMZYXCUUWWKJGT-NEPJUHHUSA-N 1 0 213.365 2.585 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000226608264 134368146 /nfs/dbraw/zinc/36/81/46/134368146.db2.gz BQPSJZNRGDDVOT-AEGPPILISA-N 1 0 226.323 2.956 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248389495 135001316 /nfs/dbraw/zinc/00/13/16/135001316.db2.gz GTOVRHYYECULDL-ZIAGYGMSSA-N 1 0 247.338 2.581 10 30 BFEERO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000248744436 135020735 /nfs/dbraw/zinc/02/07/35/135020735.db2.gz ATPZQFLSANWEMQ-DYEKYZERSA-N 1 0 242.322 2.792 10 30 BFEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000248744431 135020836 /nfs/dbraw/zinc/02/08/36/135020836.db2.gz ATPZQFLSANWEMQ-BZPMIXESSA-N 1 0 242.322 2.792 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000250805860 135059005 /nfs/dbraw/zinc/05/90/05/135059005.db2.gz HWLDVDBMLGXAHB-XGUBFFRZSA-N 1 0 226.323 2.824 10 30 BFEERO C[C@H]1C[N@H+](CCCC(C)(C)C#N)CCS1 ZINC000135534677 398135125 /nfs/dbraw/zinc/13/51/25/398135125.db2.gz RQYISOMTCBTEOS-NSHDSACASA-N 1 0 226.389 2.754 10 30 BFEERO CC(C)N[C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000036924659 167136355 /nfs/dbraw/zinc/13/63/55/167136355.db2.gz RKLQOMWUZPJVFY-CQSZACIVSA-N 1 0 232.327 2.605 10 30 BFEERO C#CCCOc1ccc(C[NH3+])cc1C(F)(F)F ZINC000104361347 166150009 /nfs/dbraw/zinc/15/00/09/166150009.db2.gz SYDOIHKMCAFGJR-UHFFFAOYSA-N 1 0 243.228 2.566 10 30 BFEERO C#CC[NH2+]C[C@@H](C)Oc1ccccc1/C=C/C ZINC000053562682 166187491 /nfs/dbraw/zinc/18/74/91/166187491.db2.gz DGKNFJDVBKPKBB-FLUIGGAXSA-N 1 0 229.323 2.710 10 30 BFEERO C#CCOc1ccc(C[NH2+][C@@H](C)CC)cc1OC ZINC000045945794 166198809 /nfs/dbraw/zinc/19/88/09/166198809.db2.gz YCVAXYRCRHUXTE-LBPRGKRZSA-N 1 0 247.338 2.595 10 30 BFEERO C=CCCC[C@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000340826385 166245459 /nfs/dbraw/zinc/24/54/59/166245459.db2.gz XWICOODBAKOHII-GJZGRUSLSA-N 1 0 236.403 2.901 10 30 BFEERO C=CCCOc1cnc(C(C)C)nc1C[NH2+]CC ZINC000051522911 166289846 /nfs/dbraw/zinc/28/98/46/166289846.db2.gz DZEBUSULFRZJDS-UHFFFAOYSA-N 1 0 249.358 2.664 10 30 BFEERO C=CCN(CC=C)C[C@](C)([NH3+])c1ccccc1 ZINC000035619384 166334656 /nfs/dbraw/zinc/33/46/56/166334656.db2.gz RVWRNOSHTKHPRK-HNNXBMFYSA-N 1 0 230.355 2.535 10 30 BFEERO C=CCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019438561 166424042 /nfs/dbraw/zinc/42/40/42/166424042.db2.gz KHNPCBUIPMNXRM-UHFFFAOYSA-N 1 0 215.296 2.628 10 30 BFEERO CC(C)[NH2+]C[C@H]1C[C@H]1c1cccc(C#N)c1 ZINC000054594174 167117757 /nfs/dbraw/zinc/11/77/57/167117757.db2.gz XQAGQDZQZWOBSX-KGLIPLIRSA-N 1 0 214.312 2.660 10 30 BFEERO CC(C)N[C@H](C#N)[C@@H](C)c1ccccc1 ZINC000041046393 167135904 /nfs/dbraw/zinc/13/59/04/167135904.db2.gz DQEXAQMMBONNEU-WCQYABFASA-N 1 0 202.301 2.680 10 30 BFEERO CC1([NH2+][C@@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000054828174 168063615 /nfs/dbraw/zinc/06/36/15/168063615.db2.gz CWEKDLTXJHTZAH-VXGBXAGGSA-N 1 0 206.333 2.991 10 30 BFEERO CC[NH2+][C@H](C)c1ccc(C#N)cc1Cl ZINC000159742329 170159334 /nfs/dbraw/zinc/15/93/34/170159334.db2.gz MNKURJNNFSYMFM-MRVPVSSYSA-N 1 0 208.692 2.882 10 30 BFEERO C=CCOCCC[NH2+]CC1CCC(C)CC1 ZINC000657658051 411571943 /nfs/dbraw/zinc/57/19/43/411571943.db2.gz KHKQOVMRVPWBMN-UHFFFAOYSA-N 1 0 225.376 2.995 10 30 BFEERO CC[C@H](C#N)N1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000104410138 171218915 /nfs/dbraw/zinc/21/89/15/171218915.db2.gz WKESUQZUAVWCDK-CHWSQXEVSA-N 1 0 237.391 2.531 10 30 BFEERO C[NH+](C)C(C)(C)CN[C@@H](CC#N)c1ccccc1 ZINC000055018532 172394711 /nfs/dbraw/zinc/39/47/11/172394711.db2.gz VWKNGVWIIGNIAO-AWEZNQCLSA-N 1 0 245.370 2.571 10 30 BFEERO C[N@@H+]1CCCC[C@H]1c1cccc(C#N)c1 ZINC000075907077 173010187 /nfs/dbraw/zinc/01/01/87/173010187.db2.gz RARNTBUXWFZAGD-ZDUSSCGKSA-N 1 0 200.285 2.715 10 30 BFEERO C[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2Cl)C1 ZINC000062791028 173046947 /nfs/dbraw/zinc/04/69/47/173046947.db2.gz BVFUQRKBNSLVPM-NSHDSACASA-N 1 0 249.745 2.718 10 30 BFEERO COCCCC[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000132442393 174201486 /nfs/dbraw/zinc/20/14/86/174201486.db2.gz IPIXOXBRZBUQJL-JTQLQIEISA-N 1 0 238.356 2.697 10 30 BFEERO COc1ccc(/C(Cl)=C/C=[N+](C)C)cc1 ZINC000015022379 175046427 /nfs/dbraw/zinc/04/64/27/175046427.db2.gz VXXJGHGAWXHGNO-WQLSENKSSA-N 1 0 224.711 2.618 10 30 BFEERO COc1ccc(/C=C/C(=O)CC[NH2+]C(C)C)cc1 ZINC000097447222 175046843 /nfs/dbraw/zinc/04/68/43/175046843.db2.gz GYUDKKPCZCUVPW-QPJJXVBHSA-N 1 0 247.338 2.666 10 30 BFEERO COc1ccc(C#CC[NH3+])cc1CSC(C)C ZINC000049612828 175051345 /nfs/dbraw/zinc/05/13/45/175051345.db2.gz WJCFBTBQTOLMRJ-UHFFFAOYSA-N 1 0 249.379 2.647 10 30 BFEERO C[C@@H](c1ccccc1)[C@H](C#N)N1CCCC1 ZINC000041046495 176023234 /nfs/dbraw/zinc/02/32/34/176023234.db2.gz XEWMUCIOJKCBNV-JSGCOSHPSA-N 1 0 214.312 2.778 10 30 BFEERO C[C@@H]1CCC[N@H+](C[C@@](C)(C=O)c2ccccc2)C1 ZINC000051175427 176100317 /nfs/dbraw/zinc/10/03/17/176100317.db2.gz LGBJQJCUBROYKG-ZBFHGGJFSA-N 1 0 245.366 2.875 10 30 BFEERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000336782705 176405088 /nfs/dbraw/zinc/40/50/88/176405088.db2.gz YOFZZRSOIULBEM-FZQKWOKYSA-N 1 0 212.296 2.544 10 30 BFEERO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(C#N)s1 ZINC000132446528 176863310 /nfs/dbraw/zinc/86/33/10/176863310.db2.gz OYLCLRJNIHGROZ-UTLUCORTSA-N 1 0 220.341 2.926 10 30 BFEERO C[C@H]1CC[N@@H+]([C@@H]2CCCCC[C@@H]2C#N)C1 ZINC000040718227 177170176 /nfs/dbraw/zinc/17/01/76/177170176.db2.gz XDNRESLADVRVSF-YNEHKIRRSA-N 1 0 206.333 2.801 10 30 BFEERO C[C@H]1C[C@H]1C[N@H+](C)C[C@@](C)(C=O)c1ccccc1 ZINC000104422234 177378281 /nfs/dbraw/zinc/37/82/81/177378281.db2.gz RCEWLTCTKWODTH-DZKIICNBSA-N 1 0 245.366 2.731 10 30 BFEERO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000301014357 528462325 /nfs/dbraw/zinc/46/23/25/528462325.db2.gz ZILJLVIYPNSCQA-RWMBFGLXSA-N 1 0 208.349 2.950 10 30 BFEERO C=CC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000121212225 534819369 /nfs/dbraw/zinc/81/93/69/534819369.db2.gz FXNJKNXSXSTDOX-QWHCGFSZSA-N 1 0 223.360 2.842 10 30 BFEERO C=CCOCCC[NH2+][C@H](CC)C(C)(C)C ZINC000308906274 526761409 /nfs/dbraw/zinc/76/14/09/526761409.db2.gz COLGDSCLCGSHTD-GFCCVEGCSA-N 1 0 213.365 2.993 10 30 BFEERO ON=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000242723216 527642977 /nfs/dbraw/zinc/64/29/77/527642977.db2.gz YGUBLIFXKQYDAG-KGLIPLIRSA-N 1 0 244.338 2.749 10 30 BFEERO CC[N@H+](C[C@H](C)C#N)C[C@H]1Cc2ccccc21 ZINC000249831640 535775010 /nfs/dbraw/zinc/77/50/10/535775010.db2.gz PGEBAHXVKKIZRW-TZMCWYRMSA-N 1 0 228.339 2.808 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000111638307 588764727 /nfs/dbraw/zinc/76/47/27/588764727.db2.gz IHWSCOVFKLYLCT-TZMCWYRMSA-N 1 0 236.359 2.618 10 30 BFEERO CCCCCCCCCN1CC[C@H]1C[NH3+] ZINC000757144441 582525815 /nfs/dbraw/zinc/52/58/15/582525815.db2.gz KFUNXGKNFOAYBN-ZDUSSCGKSA-N 1 0 212.381 2.770 10 30 BFEERO C#CCSCC[NH2+]CC1CCC(C)CC1 ZINC000127344570 590624918 /nfs/dbraw/zinc/62/49/18/590624918.db2.gz ACLISDLGDGKWQF-UHFFFAOYSA-N 1 0 225.401 2.769 10 30 BFEERO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@@H](C)O ZINC000309055627 631834874 /nfs/dbraw/zinc/83/48/74/631834874.db2.gz UFSRYAVLWFZVOJ-RWMBFGLXSA-N 1 0 213.365 2.870 10 30 BFEERO C#Cc1ccc(C[NH2+][C@@H]2C[C@H]2CCC)cc1 ZINC000310040202 634064402 /nfs/dbraw/zinc/06/44/02/634064402.db2.gz XQKSOZYRWNMOAO-HUUCEWRRSA-N 1 0 213.324 2.946 10 30 BFEERO CCCCCCCCC(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000310180179 635309031 /nfs/dbraw/zinc/30/90/31/635309031.db2.gz NIIYRWFDYBUCCC-QWHCGFSZSA-N 1 0 240.391 2.685 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000380150267 639130518 /nfs/dbraw/zinc/13/05/18/639130518.db2.gz XPPFAZWBFWKWTI-IUCAKERBSA-N 1 0 245.775 2.989 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCCC1CC1 ZINC000156978345 640520266 /nfs/dbraw/zinc/52/02/66/640520266.db2.gz SCQUAXVMPOSEHU-OLZOCXBDSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000228414416 640874216 /nfs/dbraw/zinc/87/42/16/640874216.db2.gz WAMYGQWSFXJRNY-AAEUAGOBSA-N 1 0 230.311 2.564 10 30 BFEERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891031 641005376 /nfs/dbraw/zinc/00/53/76/641005376.db2.gz PJTNGLHGZPWDQJ-UKRRQHHQSA-N 1 0 243.354 2.534 10 30 BFEERO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190839371 641891269 /nfs/dbraw/zinc/89/12/69/641891269.db2.gz QBZARTMNIQFSDJ-OLZOCXBDSA-N 1 0 213.365 2.517 10 30 BFEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308187792 642482457 /nfs/dbraw/zinc/48/24/57/642482457.db2.gz KSIHJXIFEZKJRL-VHSXEESVSA-N 1 0 205.704 2.857 10 30 BFEERO C#CCC[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000069768735 642904648 /nfs/dbraw/zinc/90/46/48/642904648.db2.gz UBLBSJRIGFQYOZ-UHFFFAOYSA-N 1 0 217.312 2.587 10 30 BFEERO C#CCCC[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000182491723 643025764 /nfs/dbraw/zinc/02/57/64/643025764.db2.gz CWSSLWFVDASMOT-CYBMUJFWSA-N 1 0 231.339 2.802 10 30 BFEERO CCC[C@H]1C[C@@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092278449 644652077 /nfs/dbraw/zinc/65/20/77/644652077.db2.gz MQBZYPMEKOSFPT-AAEUAGOBSA-N 1 0 237.391 2.802 10 30 BFEERO CSC1CC([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000708269029 712184939 /nfs/dbraw/zinc/18/49/39/712184939.db2.gz IKCXPYQRMMYGKH-KPPDAEKUSA-N 1 0 226.389 2.798 10 30 BFEERO C#CCSCC[NH2+][C@@H](CC)C(C)(C)C ZINC000379661219 712391556 /nfs/dbraw/zinc/39/15/56/712391556.db2.gz PUKUPPAKENEXMJ-NSHDSACASA-N 1 0 213.390 2.767 10 30 BFEERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000721233025 712899728 /nfs/dbraw/zinc/89/97/28/712899728.db2.gz FULQBUXDKFRTFZ-XJFOESAGSA-N 1 0 236.359 2.616 10 30 BFEERO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000721233019 712899738 /nfs/dbraw/zinc/89/97/38/712899738.db2.gz FULQBUXDKFRTFZ-FQUUOJAGSA-N 1 0 236.359 2.616 10 30 BFEERO C=C(Br)C[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000321902460 712060426 /nfs/dbraw/zinc/06/04/26/712060426.db2.gz NWRLROLZALJQJY-UJNFCWOMSA-N 1 0 232.165 2.919 10 30 BFEERO C=C/C=C\CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000713501815 712463621 /nfs/dbraw/zinc/46/36/21/712463621.db2.gz LZVLHYJKNKXJRW-RSNNXLNZSA-N 1 0 204.317 2.791 10 30 BFEERO COCC1CC([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000713976746 712475714 /nfs/dbraw/zinc/47/57/14/712475714.db2.gz AWSNSSAAXXSOAP-ZOODHJKOSA-N 1 0 244.338 2.634 10 30 BFEERO C#CCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000380009382 712669933 /nfs/dbraw/zinc/66/99/33/712669933.db2.gz QXWOMHWUPIKHEB-QWHCGFSZSA-N 1 0 211.324 2.908 10 30 BFEERO CCCCCCCOCC(F)(F)C[NH3+] ZINC000685955832 538901865 /nfs/dbraw/zinc/90/18/65/538901865.db2.gz DVWQGQLVPCLTJJ-UHFFFAOYSA-N 1 0 209.280 2.567 10 30 BFEERO C=CCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960259 538907751 /nfs/dbraw/zinc/90/77/51/538907751.db2.gz APVLGDOBQHWNKI-UHFFFAOYSA-N 1 0 217.312 2.702 10 30 BFEERO CCC(CC)[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049618660 168369367 /nfs/dbraw/zinc/36/93/67/168369367.db2.gz GNVSVVKZRCCOBV-UHFFFAOYSA-N 1 0 245.366 2.651 10 30 BFEERO Cc1ccc(C#N)c(N[C@H](C)CC[NH+](C)C)c1 ZINC000051580078 178365820 /nfs/dbraw/zinc/36/58/20/178365820.db2.gz PPGBVXNJNUFHDZ-GFCCVEGCSA-N 1 0 231.343 2.619 10 30 BFEERO Cc1ccc(C#N)c(OCC[C@@H]2CCC[NH2+]C2)c1 ZINC000051918435 178366262 /nfs/dbraw/zinc/36/62/62/178366262.db2.gz SEWQOBSZDSOURC-ZDUSSCGKSA-N 1 0 244.338 2.635 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1ccccc1Br ZINC000051075164 346834069 /nfs/dbraw/zinc/83/40/69/346834069.db2.gz ULRLSDUMZOXMKX-LLVKDONJSA-N 1 0 238.128 2.733 10 30 BFEERO CC(C)[N@@H+]1CC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616613056 349604818 /nfs/dbraw/zinc/60/48/18/349604818.db2.gz JXHKPMDMWGIGBG-CQSZACIVSA-N 1 0 214.312 2.756 10 30 BFEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000320465591 342734089 /nfs/dbraw/zinc/73/40/89/342734089.db2.gz FDVQPUBOBPIYGF-IUCAKERBSA-N 1 0 237.734 2.749 10 30 BFEERO CC[C@@H]([NH3+])C#Cc1ccc(Cl)cc1F ZINC000229906089 342854613 /nfs/dbraw/zinc/85/46/13/342854613.db2.gz KRLSNGBKNAEIDI-SNVBAGLBSA-N 1 0 211.667 2.568 10 30 BFEERO C[C@@H]([NH3+])c1cccc(Oc2ncccc2C#N)c1 ZINC000058824609 398327401 /nfs/dbraw/zinc/32/74/01/398327401.db2.gz GVPOXPPSRIDJTI-SNVBAGLBSA-N 1 0 239.278 2.765 10 30 BFEERO N#Cc1cccc(CN2C[C@H]3CCC[C@@H]32)c1F ZINC000335900229 136258515 /nfs/dbraw/zinc/25/85/15/136258515.db2.gz UMXRDHYRJQFJGR-YPMHNXCESA-N 1 0 230.286 2.682 10 30 BFEERO C[C@H]1CC(C=O)C[C@H](C)[NH+]1C1CCCC1 ZINC000584883422 343086169 /nfs/dbraw/zinc/08/61/69/343086169.db2.gz NIGQKCDWYRRHNV-QWRGUYRKSA-N 1 0 209.333 2.617 10 30 BFEERO CC#CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000136130779 343197141 /nfs/dbraw/zinc/19/71/41/343197141.db2.gz ZRMJHAUZOPVBSA-VHSXEESVSA-N 1 0 219.250 2.720 10 30 BFEERO Cc1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000054827437 136373066 /nfs/dbraw/zinc/37/30/66/136373066.db2.gz RSYUYUBBJOYLRN-UKRRQHHQSA-N 1 0 244.338 2.656 10 30 BFEERO Cc1cccc(OCC[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000054827440 136373128 /nfs/dbraw/zinc/37/31/28/136373128.db2.gz RSYUYUBBJOYLRN-ZFWWWQNUSA-N 1 0 244.338 2.656 10 30 BFEERO C=C(C)CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296878047 136375962 /nfs/dbraw/zinc/37/59/62/136375962.db2.gz UXZURNQGMWURKQ-CYBMUJFWSA-N 1 0 217.312 2.935 10 30 BFEERO COC1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CCCC1 ZINC000310361687 343461649 /nfs/dbraw/zinc/46/16/49/343461649.db2.gz UNJOLEHEHIMKJT-QWHCGFSZSA-N 1 0 236.359 2.618 10 30 BFEERO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000165508468 343525016 /nfs/dbraw/zinc/52/50/16/343525016.db2.gz RFZKKWDDGROJOM-LBPRGKRZSA-N 1 0 246.379 2.804 10 30 BFEERO CC(C)SCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000379778628 343624898 /nfs/dbraw/zinc/62/48/98/343624898.db2.gz BFWUSPJVGCXAON-NEPJUHHUSA-N 1 0 226.389 2.800 10 30 BFEERO CCC(=[NH2+])Nc1cc(F)c(F)c(F)c1 ZINC000062987869 349868371 /nfs/dbraw/zinc/86/83/71/349868371.db2.gz XTWBVOXIISEQFK-UHFFFAOYSA-N 1 0 202.179 2.503 10 30 BFEERO CCCCCCCNc1cc(NC)[nH+]c(C)n1 ZINC000409428673 343804133 /nfs/dbraw/zinc/80/41/33/343804133.db2.gz HEPVWYNLKVWRIC-UHFFFAOYSA-N 1 0 236.363 2.631 10 30 BFEERO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000334766136 343905631 /nfs/dbraw/zinc/90/56/31/343905631.db2.gz UOLSNEHLIGJGPD-OCCSQVGLSA-N 1 0 242.322 2.551 10 30 BFEERO CC#CC[C@@H]([NH2+]C)c1ccoc1Br ZINC000234440025 343967174 /nfs/dbraw/zinc/96/71/74/343967174.db2.gz ASOOPSQVWANYSV-SECBINFHSA-N 1 0 242.116 2.716 10 30 BFEERO C=CCC[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000129107092 344210759 /nfs/dbraw/zinc/21/07/59/344210759.db2.gz IWKWPGXYHSDSRE-LLVKDONJSA-N 1 0 209.264 2.800 10 30 BFEERO C#C[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000309386501 347045417 /nfs/dbraw/zinc/04/54/17/347045417.db2.gz FDMYCHOQNREORU-NZBPQXDJSA-N 1 0 213.324 2.790 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227490084 344451026 /nfs/dbraw/zinc/45/10/26/344451026.db2.gz DOJZOMDCNBTVET-DZKIICNBSA-N 1 0 240.350 2.998 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000054823884 344457848 /nfs/dbraw/zinc/45/78/48/344457848.db2.gz VYDZXHAKFVPBTB-CABCVRRESA-N 1 0 228.339 2.901 10 30 BFEERO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000135483124 344459772 /nfs/dbraw/zinc/45/97/72/344459772.db2.gz XCVDGEGYHITJLR-GFCCVEGCSA-N 1 0 206.289 2.675 10 30 BFEERO C=CC[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037872175 344565554 /nfs/dbraw/zinc/56/55/54/344565554.db2.gz XDMIGJHSRNZLBJ-OAHLLOKOSA-N 1 0 227.307 2.649 10 30 BFEERO N#CCCCCCc1cccc2c[nH+]cn21 ZINC000029409928 344600735 /nfs/dbraw/zinc/60/07/35/344600735.db2.gz QQDBJEJYQNPHFD-UHFFFAOYSA-N 1 0 213.284 2.961 10 30 BFEERO C#CC[NH2+]Cc1ccc(OC(C)C)c(Cl)c1 ZINC000045945399 192075487 /nfs/dbraw/zinc/07/54/87/192075487.db2.gz BLYZQLJZJAMYJH-UHFFFAOYSA-N 1 0 237.730 2.850 10 30 BFEERO C#CCOc1c(C[NH2+]CCCC)cccc1OC ZINC000045945589 192075607 /nfs/dbraw/zinc/07/56/07/192075607.db2.gz LLGKPPZRTGTNOY-UHFFFAOYSA-N 1 0 247.338 2.597 10 30 BFEERO C=C[C@H](C)Oc1ccc(C)cc1[C@@H](C)[NH3+] ZINC000052141594 187299813 /nfs/dbraw/zinc/29/98/13/187299813.db2.gz QSEOIECFEXYMDA-WDEREUQCSA-N 1 0 205.301 2.968 10 30 BFEERO Cc1cc(NC2CC(C)C2)c(C#N)c(C)n1 ZINC000158877798 345719471 /nfs/dbraw/zinc/71/94/71/345719471.db2.gz IYSPUGGZCSOCDY-UHFFFAOYSA-N 1 0 215.300 2.781 10 30 BFEERO CC#CCOc1ccccc1C[NH2+]CC(C)C ZINC000062729479 187361781 /nfs/dbraw/zinc/36/17/81/187361781.db2.gz ZFBWWJRAEGTBNP-UHFFFAOYSA-N 1 0 231.339 2.834 10 30 BFEERO CC(C)[N@@H+]1CC[C@]2(CC[C@H](CS)C2)C1 ZINC000095088255 346024376 /nfs/dbraw/zinc/02/43/76/346024376.db2.gz WVPFFXJXIDFGCN-RYUDHWBXSA-N 1 0 213.390 2.817 10 30 BFEERO C=CCn1c(C)[nH+]c(-c2ccccc2C)c1N ZINC000103500942 187363739 /nfs/dbraw/zinc/36/37/39/187363739.db2.gz JKHPPDYVOPOBCV-UHFFFAOYSA-N 1 0 227.311 2.935 10 30 BFEERO CC(C)[N@@H+]1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000616613527 349948114 /nfs/dbraw/zinc/94/81/14/349948114.db2.gz UXKDDRGSUOLKBN-CQSZACIVSA-N 1 0 214.312 2.756 10 30 BFEERO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)c1 ZINC000054825581 179098080 /nfs/dbraw/zinc/09/80/80/179098080.db2.gz YITIISTUWHGIIN-ZIAGYGMSSA-N 1 0 214.312 2.777 10 30 BFEERO Cc1cccc2c1CC[NH2+][C@H]2[C@H](C)S ZINC000083731658 179215447 /nfs/dbraw/zinc/21/54/47/179215447.db2.gz FRUPPGGZVHWKGV-CABZTGNLSA-N 1 0 207.342 2.500 10 30 BFEERO Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054825570 179283829 /nfs/dbraw/zinc/28/38/29/179283829.db2.gz QCQLXRWDJHNSBD-OCCSQVGLSA-N 1 0 214.312 2.777 10 30 BFEERO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000042207168 179321850 /nfs/dbraw/zinc/32/18/50/179321850.db2.gz ZWSCVOSYJDBUQN-CMPLNLGQSA-N 1 0 202.301 2.805 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CS1 ZINC000594605460 348080358 /nfs/dbraw/zinc/08/03/58/348080358.db2.gz AYFZSVFCLRJLGI-WISYIIOYSA-N 1 0 224.373 2.552 10 30 BFEERO Cc1cccc(CC[NH2+][C@H]2CCCC[C@@H]2C#N)n1 ZINC000595690029 348315702 /nfs/dbraw/zinc/31/57/02/348315702.db2.gz ORQWJNOHRXSGFC-HIFRSBDPSA-N 1 0 243.354 2.605 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000597081635 348658700 /nfs/dbraw/zinc/65/87/00/348658700.db2.gz CFTYRDOXNBXCIY-SDDRHHMPSA-N 1 0 204.317 2.601 10 30 BFEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054824059 348664359 /nfs/dbraw/zinc/66/43/59/348664359.db2.gz RANJHTNJXPMUDP-FVCCEPFGSA-N 1 0 206.333 2.847 10 30 BFEERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000597195956 348673156 /nfs/dbraw/zinc/67/31/56/348673156.db2.gz PCTUUGVHJZJBSR-WHOHXGKFSA-N 1 0 224.373 2.552 10 30 BFEERO CC#CC[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000051665113 350022500 /nfs/dbraw/zinc/02/25/00/350022500.db2.gz RUKOPUHCOSNJDH-GFCCVEGCSA-N 1 0 207.704 2.623 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000336643283 350413231 /nfs/dbraw/zinc/41/32/31/350413231.db2.gz BYMKMKGZYVCCHE-NEPJUHHUSA-N 1 0 206.333 2.801 10 30 BFEERO CC(C)[N@@H+]1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616598500 350673882 /nfs/dbraw/zinc/67/38/82/350673882.db2.gz MJVZYXWOSAAZTC-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO CC[N@@H+]1CCC[C@@H](c2ccccc2C#N)C1 ZINC000616617065 350860497 /nfs/dbraw/zinc/86/04/97/350860497.db2.gz HMMDZKPJRSZIIP-CYBMUJFWSA-N 1 0 214.312 2.758 10 30 BFEERO C=CC[C@H](SC)[C@@H]([NH3+])c1ccccc1 ZINC000139115511 350917340 /nfs/dbraw/zinc/91/73/40/350917340.db2.gz BQYVSAANSXOELQ-RYUDHWBXSA-N 1 0 207.342 2.994 10 30 BFEERO C=CCC[C@@H]([NH3+])c1ccc(F)c(OC)c1 ZINC000128963614 350932802 /nfs/dbraw/zinc/93/28/02/350932802.db2.gz SPCQJDRHSNVFMX-LLVKDONJSA-N 1 0 209.264 2.800 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CS1 ZINC000397786813 350972476 /nfs/dbraw/zinc/97/24/76/350972476.db2.gz BLESUFXGKWVLQQ-RHYQMDGZSA-N 1 0 224.373 2.552 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1cc(Cl)ccc1N ZINC000306971931 351394532 /nfs/dbraw/zinc/39/45/32/351394532.db2.gz SZYTYFBWPIFYIR-LLVKDONJSA-N 1 0 210.708 2.888 10 30 BFEERO C=CC[NH+](CC=C)CC[C@H](O)c1cccc(F)c1 ZINC000053986844 166334941 /nfs/dbraw/zinc/33/49/41/166334941.db2.gz DCIFDJDTQIJWGE-HNNXBMFYSA-N 1 0 249.329 2.923 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1cc(Cl)ccc1N ZINC000307018164 351423784 /nfs/dbraw/zinc/42/37/84/351423784.db2.gz SZYTYFBWPIFYIR-NSHDSACASA-N 1 0 210.708 2.888 10 30 BFEERO C=C(Br)C[NH2+][C@H]1CC12CCCC2 ZINC000307024034 351426252 /nfs/dbraw/zinc/42/62/52/351426252.db2.gz VSGBGJXWMPOAET-VIFPVBQESA-N 1 0 230.149 2.817 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000218306812 351497767 /nfs/dbraw/zinc/49/77/67/351497767.db2.gz JKVKWBACMHCIRK-NILFDRSVSA-N 1 0 244.338 2.512 10 30 BFEERO CCCCCCC[C@@](C)([NH2+][C@H](C)CC)C(N)=O ZINC000103111426 168658490 /nfs/dbraw/zinc/65/84/90/168658490.db2.gz GQYDEDMEQMJWRN-TZMCWYRMSA-N 1 0 242.407 2.979 10 30 BFEERO CC(C)CNC(=[NH2+])Nc1cnc2ccccc2c1 ZINC000055142776 187611552 /nfs/dbraw/zinc/61/15/52/187611552.db2.gz UAHBIQCKHIBQGJ-UHFFFAOYSA-N 1 0 242.326 2.617 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1cc(F)ccc1Cl ZINC000307352989 352297643 /nfs/dbraw/zinc/29/76/43/352297643.db2.gz CIBRMTWXMZGHEW-LLVKDONJSA-N 1 0 211.667 2.763 10 30 BFEERO C[C@@H]1[C@H](S)CC[N@@H+]1Cc1ccccc1 ZINC000307446303 352601937 /nfs/dbraw/zinc/60/19/37/352601937.db2.gz CXVYRAXVUKPVNF-ZYHUDNBSSA-N 1 0 207.342 2.579 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCSCC1 ZINC000336758737 353167640 /nfs/dbraw/zinc/16/76/40/353167640.db2.gz ZQMKLDLUKDLVKR-WCFLWFBJSA-N 1 0 238.400 2.800 10 30 BFEERO CC#CC[C@H]([NH3+])c1cc(Br)cs1 ZINC000070599104 353259621 /nfs/dbraw/zinc/25/96/21/353259621.db2.gz UZAATIDTRGVUOS-QMMMGPOBSA-N 1 0 244.157 2.924 10 30 BFEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@H]1C ZINC000252729436 353302861 /nfs/dbraw/zinc/30/28/61/353302861.db2.gz GSHDIUIUFIOYRV-RWMBFGLXSA-N 1 0 211.349 2.888 10 30 BFEERO C[C@@H]1[C@H](C)SCC[N@@H+]1CC1(CS)CC1 ZINC000132795701 353389819 /nfs/dbraw/zinc/38/98/19/353389819.db2.gz DSDNHAQOQJYFHE-ZJUUUORDSA-N 1 0 231.430 2.522 10 30 BFEERO C#CC[NH2+]Cc1cc(Cl)ccc1OCCC ZINC000045945347 188398714 /nfs/dbraw/zinc/39/87/14/188398714.db2.gz AWAKRJHIBKPAQV-UHFFFAOYSA-N 1 0 237.730 2.852 10 30 BFEERO C=CCCCCC[NH+]1[C@@H](C)COC[C@@H]1C ZINC000193356068 324201106 /nfs/dbraw/zinc/20/11/06/324201106.db2.gz UVXPVZXNULJKIB-STQMWFEESA-N 1 0 211.349 2.842 10 30 BFEERO N#CCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116291269 181036061 /nfs/dbraw/zinc/03/60/61/181036061.db2.gz SZBCJWGGLBUFLB-LLVKDONJSA-N 1 0 204.273 2.720 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000054826568 181068120 /nfs/dbraw/zinc/06/81/20/181068120.db2.gz XLCFFIBTYVFURY-OLZOCXBDSA-N 1 0 234.368 2.963 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000054826563 181070335 /nfs/dbraw/zinc/07/03/35/181070335.db2.gz JMYUXRINLAENDV-VXGBXAGGSA-N 1 0 220.341 2.572 10 30 BFEERO N#Cc1c(F)cccc1N[C@@H]1CCCCC[C@H]1[NH3+] ZINC000063214855 181075868 /nfs/dbraw/zinc/07/58/68/181075868.db2.gz ZOXGLZMKRIXHIS-TZMCWYRMSA-N 1 0 247.317 2.769 10 30 BFEERO N#Cc1cc(Cl)ccc1NCCC[NH2+]C1CC1 ZINC000052858572 181086750 /nfs/dbraw/zinc/08/67/50/181086750.db2.gz GFUVXRDVFXOKQT-UHFFFAOYSA-N 1 0 249.745 2.766 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1F ZINC000336310334 181104723 /nfs/dbraw/zinc/10/47/23/181104723.db2.gz FJCODTQGBZCDNQ-OCCSQVGLSA-N 1 0 230.286 2.682 10 30 BFEERO N#Cc1ccc(NCC2CC[NH2+]CC2)c(Cl)c1 ZINC000062791350 181120606 /nfs/dbraw/zinc/12/06/06/181120606.db2.gz DMSABGPSUFCTEN-UHFFFAOYSA-N 1 0 249.745 2.623 10 30 BFEERO CC[NH+]=C(NCC1(CC)CCC1)N[C@@H]1C[C@H]1C ZINC000261830135 535260589 /nfs/dbraw/zinc/26/05/89/535260589.db2.gz VHIAYEMLTRNZOV-VXGBXAGGSA-N 1 0 237.391 2.530 10 30 BFEERO N#Cc1ccc(O[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000042899697 181128337 /nfs/dbraw/zinc/12/83/37/181128337.db2.gz QPOSDYGWGIWYGJ-HNNXBMFYSA-N 1 0 238.290 2.637 10 30 BFEERO N#Cc1ccc(O[C@@H](C[NH3+])c2cccs2)cc1 ZINC000043108561 181128903 /nfs/dbraw/zinc/12/89/03/181128903.db2.gz TVMOHNVXDJMZDV-LBPRGKRZSA-N 1 0 244.319 2.699 10 30 BFEERO N#Cc1ccc(O[C@H](C[NH3+])c2cccs2)cc1 ZINC000043108558 181128995 /nfs/dbraw/zinc/12/89/95/181128995.db2.gz TVMOHNVXDJMZDV-GFCCVEGCSA-N 1 0 244.319 2.699 10 30 BFEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000062791343 181123484 /nfs/dbraw/zinc/12/34/84/181123484.db2.gz GINROQTXVRQDIL-LLVKDONJSA-N 1 0 249.745 2.766 10 30 BFEERO N#Cc1ccc([C@H]2CCC[NH2+]2)cc1Cl ZINC000072201932 181130247 /nfs/dbraw/zinc/13/02/47/181130247.db2.gz ZHARYILAVGWKFY-LLVKDONJSA-N 1 0 206.676 2.636 10 30 BFEERO N#Cc1cccc(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)c1 ZINC000037748904 181137819 /nfs/dbraw/zinc/13/78/19/181137819.db2.gz CCDLXNWTCVXGOH-SOUVJXGZSA-N 1 0 224.307 2.612 10 30 BFEERO CC(C)C1CC([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000232539840 363375865 /nfs/dbraw/zinc/37/58/65/363375865.db2.gz DWFXITIUISYCDL-XVSSEFHLSA-N 1 0 206.333 2.703 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000166101362 355289808 /nfs/dbraw/zinc/28/98/08/355289808.db2.gz GBTVLZXUMXWMLR-SNVBAGLBSA-N 1 0 242.091 2.611 10 30 BFEERO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000336208473 134133132 /nfs/dbraw/zinc/13/31/32/134133132.db2.gz MXFLRNGKTSLKKF-RJZJGCCBSA-N 1 0 231.343 2.741 10 30 BFEERO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000389723924 356930373 /nfs/dbraw/zinc/93/03/73/356930373.db2.gz JCEZOFMCMUOHKU-TVQRCGJNSA-N 1 0 249.745 2.622 10 30 BFEERO C=CCCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000390626409 357108277 /nfs/dbraw/zinc/10/82/77/357108277.db2.gz HIYDNGORSRBRAW-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(C)cc1Br ZINC000168663718 357186588 /nfs/dbraw/zinc/18/65/88/357186588.db2.gz FJGPZCUBRBBBQY-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000235192486 357854830 /nfs/dbraw/zinc/85/48/30/357854830.db2.gz ZMFDGIPJOQQDAC-CHWSQXEVSA-N 1 0 238.375 2.864 10 30 BFEERO C=CCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000398022906 357829809 /nfs/dbraw/zinc/82/98/09/357829809.db2.gz FIAIPJVYSAQITE-YNEHKIRRSA-N 1 0 211.349 2.624 10 30 BFEERO C=CCCCCC[N@H+]1CCCC[C@@H](CO)C1 ZINC000373225774 134233492 /nfs/dbraw/zinc/23/34/92/134233492.db2.gz AZWRHEXSZCUBQP-CQSZACIVSA-N 1 0 225.376 2.827 10 30 BFEERO CC/N=C1\CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC000584601676 358258791 /nfs/dbraw/zinc/25/87/91/358258791.db2.gz LQNSKXVIONJOOG-XERWBJCMSA-N 1 0 228.339 2.841 10 30 BFEERO C#CC[N@@H+](CC)[C@H]1CCc2ccc(OC)cc2C1 ZINC000584626326 358295706 /nfs/dbraw/zinc/29/57/06/358295706.db2.gz WWRIXUKDGWLTAT-HNNXBMFYSA-N 1 0 243.350 2.508 10 30 BFEERO C=CCCCCC[NH2+]Cc1cnn(C)c1C ZINC000226381751 358337841 /nfs/dbraw/zinc/33/78/41/358337841.db2.gz SYKGEBKSSRPYSD-UHFFFAOYSA-N 1 0 221.348 2.565 10 30 BFEERO C[C@H]([NH3+])c1ccc(S[C@@H](C)C#N)cc1 ZINC000070620958 361647769 /nfs/dbraw/zinc/64/77/69/361647769.db2.gz NUJCXNQHOJBXFS-IUCAKERBSA-N 1 0 206.314 2.710 10 30 BFEERO C=CCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000134927517 364420558 /nfs/dbraw/zinc/42/05/58/364420558.db2.gz LLYOAFWHEPNGGJ-BFHYXJOUSA-N 1 0 225.376 2.992 10 30 BFEERO C=CCCCCC[N@H+]1CCC[C@@H](O)[C@@H]1C ZINC000384727045 367722505 /nfs/dbraw/zinc/72/25/05/367722505.db2.gz AJBDYGPXQACTBJ-QWHCGFSZSA-N 1 0 211.349 2.578 10 30 BFEERO C=CCc1cc(N)ccc1OCCC[NH2+]C(C)C ZINC000001537851 368642550 /nfs/dbraw/zinc/64/25/50/368642550.db2.gz SRCUGWXVFCJTLG-UHFFFAOYSA-N 1 0 248.370 2.764 10 30 BFEERO CC[C@@H](CC#N)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000085578199 368867254 /nfs/dbraw/zinc/86/72/54/368867254.db2.gz XNEFNMBZXMOARS-STQMWFEESA-N 1 0 214.312 2.608 10 30 BFEERO CCC[NH+]1CCC(N[C@H]2CCCC[C@H]2C#N)CC1 ZINC000054827111 369101006 /nfs/dbraw/zinc/10/10/06/369101006.db2.gz YPMJRQBMOAVHPR-ZFWWWQNUSA-N 1 0 249.402 2.533 10 30 BFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(Cl)ccc1C#N ZINC000600952161 369578236 /nfs/dbraw/zinc/57/82/36/369578236.db2.gz RSWKPRNVGLJUBA-NWDGAFQWSA-N 1 0 249.745 2.764 10 30 BFEERO C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000126412847 371519469 /nfs/dbraw/zinc/51/94/69/371519469.db2.gz GLKDEDYPRDMGFV-RAIGVLPGSA-N 1 0 206.333 2.847 10 30 BFEERO C=C[C@@H]([NH3+])c1cccc(Br)c1C ZINC000161706237 371555013 /nfs/dbraw/zinc/55/50/13/371555013.db2.gz XEVGQRZTEFNESW-SNVBAGLBSA-N 1 0 226.117 2.943 10 30 BFEERO C[C@@H]1CC[N@H+](CC2(CS)CC2)C[C@@H]1C ZINC000132201996 371763212 /nfs/dbraw/zinc/76/32/12/371763212.db2.gz KQHLDGPASCXAAF-MNOVXSKESA-N 1 0 213.390 2.674 10 30 BFEERO C=C[C@@H]([NH3+])c1csc(Br)c1 ZINC000162754578 371839860 /nfs/dbraw/zinc/83/98/60/371839860.db2.gz HNTDPWBGQDTGHI-ZCFIWIBFSA-N 1 0 218.119 2.696 10 30 BFEERO C[C@@H]1SCC[N@H+](CC(C)(C)CS)[C@H]1C ZINC000132804559 371925738 /nfs/dbraw/zinc/92/57/38/371925738.db2.gz XWXFFEGWBAEMJM-UWVGGRQHSA-N 1 0 233.446 2.768 10 30 BFEERO CC#CCC[C@@H]([NH3+])c1coc(Br)c1 ZINC000306647585 372050224 /nfs/dbraw/zinc/05/02/24/372050224.db2.gz DLWHGJHWJMIVTE-SECBINFHSA-N 1 0 242.116 2.845 10 30 BFEERO CC#CCC[C@H]([NH3+])c1coc(Br)c1 ZINC000306647586 372050560 /nfs/dbraw/zinc/05/05/60/372050560.db2.gz DLWHGJHWJMIVTE-VIFPVBQESA-N 1 0 242.116 2.845 10 30 BFEERO CC(C)[C@H]([NH3+])CCN(C)c1cccc(F)c1C#N ZINC000133596245 372078650 /nfs/dbraw/zinc/07/86/50/372078650.db2.gz VDYCSRIRTSCSOQ-CYBMUJFWSA-N 1 0 249.333 2.507 10 30 BFEERO C[NH2+]CC#Cc1ccc(Cl)cc1Cl ZINC000229458137 372154758 /nfs/dbraw/zinc/15/47/58/372154758.db2.gz NDXFQHRVJHWGBA-UHFFFAOYSA-N 1 0 214.095 2.564 10 30 BFEERO CCCN(c1ccccc1C#N)[C@H]1CCC[NH2+]C1 ZINC000104342226 169183019 /nfs/dbraw/zinc/18/30/19/169183019.db2.gz QWRUXDKCQKRVMC-AWEZNQCLSA-N 1 0 243.354 2.527 10 30 BFEERO CCCN[C@H](C#N)CCN(C)c1cccc(F)c1 ZINC000062438609 169284326 /nfs/dbraw/zinc/28/43/26/169284326.db2.gz RBWFQNNFUXVWTJ-ZDUSSCGKSA-N 1 0 249.333 2.544 10 30 BFEERO CCCO[C@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2C#N)C1 ZINC000042422253 169313370 /nfs/dbraw/zinc/31/33/70/169313370.db2.gz AQAGTZNHXPHXAQ-HZSPNIEDSA-N 1 0 236.359 2.570 10 30 BFEERO CC[N@H+](CCC#N)C[C@@H]1Cc2ccccc21 ZINC000090976988 384087101 /nfs/dbraw/zinc/08/71/01/384087101.db2.gz QDMCQEBJFDRKFM-ZDUSSCGKSA-N 1 0 214.312 2.562 10 30 BFEERO C[C@@]1(S)CCC[N@H+](Cc2ccccc2)C1 ZINC000095089641 384360909 /nfs/dbraw/zinc/36/09/09/384360909.db2.gz QAMZVKJWMGBGJH-CYBMUJFWSA-N 1 0 221.369 2.971 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000165168863 384387548 /nfs/dbraw/zinc/38/75/48/384387548.db2.gz VJUNENDKZZJQGD-ZYHUDNBSSA-N 1 0 220.341 2.898 10 30 BFEERO C[N@H+](CCCCC#N)CCc1ccc(F)cc1 ZINC000102397917 384707725 /nfs/dbraw/zinc/70/77/25/384707725.db2.gz QXPJOMPQMJRKMU-UHFFFAOYSA-N 1 0 234.318 2.994 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000052273596 384728539 /nfs/dbraw/zinc/72/85/39/384728539.db2.gz MJPDBYHMOYBHSZ-UHIISALHSA-N 1 0 230.311 2.648 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OCC#N)cc1 ZINC000052273592 384728697 /nfs/dbraw/zinc/72/86/97/384728697.db2.gz MJPDBYHMOYBHSZ-SUNKGSAMSA-N 1 0 230.311 2.648 10 30 BFEERO Cc1csc(C2CC[NH+](CCCC#N)CC2)n1 ZINC000156716498 384943210 /nfs/dbraw/zinc/94/32/10/384943210.db2.gz KDFLZHGAKRCGKA-UHFFFAOYSA-N 1 0 249.383 2.935 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000308842677 385215443 /nfs/dbraw/zinc/21/54/43/385215443.db2.gz KQUZEIDJMMZGCF-CYDGBPFRSA-N 1 0 206.333 2.869 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000300688175 385344217 /nfs/dbraw/zinc/34/42/17/385344217.db2.gz QKKPOSJOQLFJIQ-BFHYXJOUSA-N 1 0 236.359 2.618 10 30 BFEERO C[N@@H+]1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000258119686 385540054 /nfs/dbraw/zinc/54/00/54/385540054.db2.gz SYMVAWIZSMWEKY-ZDUSSCGKSA-N 1 0 214.312 2.758 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000252982215 385579490 /nfs/dbraw/zinc/57/94/90/385579490.db2.gz VJBNIXAELKDTBV-WCFLWFBJSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@@H](CCC[NH3+])Nc1cc(Cl)ccc1C#N ZINC000309336617 386139403 /nfs/dbraw/zinc/13/94/03/386139403.db2.gz VOXZZIKPGLGHJH-VIFPVBQESA-N 1 0 237.734 2.751 10 30 BFEERO C=CCC[C@@H]([NH2+]CCn1cc(C)cn1)C1CC1 ZINC000124024226 386591614 /nfs/dbraw/zinc/59/16/14/386591614.db2.gz NXXVHEVDDXNESE-CQSZACIVSA-N 1 0 233.359 2.526 10 30 BFEERO CC#CC[C@@H]([NH3+])c1ccsc1Br ZINC000575498548 387341845 /nfs/dbraw/zinc/34/18/45/387341845.db2.gz JNOAXGNBAAKFSV-MRVPVSSYSA-N 1 0 244.157 2.924 10 30 BFEERO C#C[C@@H]([NH3+])c1ccc(Br)c(F)c1C ZINC000575509201 387392367 /nfs/dbraw/zinc/39/23/67/387392367.db2.gz VTQIBCPCWFKZMZ-SECBINFHSA-N 1 0 242.091 2.530 10 30 BFEERO CC#CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000162004658 387808621 /nfs/dbraw/zinc/80/86/21/387808621.db2.gz SOOLYZXPRIMLJK-CYBMUJFWSA-N 1 0 201.313 2.977 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000459487798 387951376 /nfs/dbraw/zinc/95/13/76/387951376.db2.gz WLHIIXCKQNWBOA-VWYCJHECSA-N 1 0 228.286 2.704 10 30 BFEERO C[C@@H]1C[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037979 388099339 /nfs/dbraw/zinc/09/93/39/388099339.db2.gz ZXKMCOHEAUTTFU-CMAYJEJSSA-N 1 0 226.323 2.608 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229650340 388863492 /nfs/dbraw/zinc/86/34/92/388863492.db2.gz GQXXAANMWRXUFQ-KGLIPLIRSA-N 1 0 239.322 2.950 10 30 BFEERO C=C(C)CNC(=[NH2+])NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000263208695 533510475 /nfs/dbraw/zinc/51/04/75/533510475.db2.gz YQYHBMFBSFUBBE-KBPBESRZSA-N 1 0 249.402 2.683 10 30 BFEERO CC1(C)CC[NH+](CC2(C#N)CCC2)CC1 ZINC000336194194 134125403 /nfs/dbraw/zinc/12/54/03/134125403.db2.gz FUKOBGATDGXYTC-UHFFFAOYSA-N 1 0 206.333 2.802 10 30 BFEERO CC1(C#N)CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000336208471 134133502 /nfs/dbraw/zinc/13/35/02/134133502.db2.gz MXFLRNGKTSLKKF-AHPWVWPOSA-N 1 0 231.343 2.741 10 30 BFEERO C=CC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180649794 134330543 /nfs/dbraw/zinc/33/05/43/134330543.db2.gz PKGURWBJZTYGEB-LBPRGKRZSA-N 1 0 227.311 2.709 10 30 BFEERO CC[C@H](CC#N)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000054182476 134387662 /nfs/dbraw/zinc/38/76/62/134387662.db2.gz HDIVTVQHVQZEJR-GHMZBOCLSA-N 1 0 248.326 2.744 10 30 BFEERO C[C@@H](CC#N)[N@@H+]1CCSC(C)(C)CC1 ZINC000227983665 134396707 /nfs/dbraw/zinc/39/67/07/134396707.db2.gz FEJSWYQOOIYLQX-JTQLQIEISA-N 1 0 212.362 2.506 10 30 BFEERO Cc1cnc([C@@H](C)[NH2+]CCCC(C)(C)C#N)o1 ZINC000230642107 134515932 /nfs/dbraw/zinc/51/59/32/134515932.db2.gz HEWSTRKNWQPOOW-LLVKDONJSA-N 1 0 235.331 2.964 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000248389494 135002107 /nfs/dbraw/zinc/00/21/07/135002107.db2.gz GTOVRHYYECULDL-UONOGXRCSA-N 1 0 247.338 2.581 10 30 BFEERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000251173650 135064964 /nfs/dbraw/zinc/06/49/64/135064964.db2.gz PMQOFCVMRQZXKO-SRVKXCTJSA-N 1 0 206.333 2.847 10 30 BFEERO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000087771733 135168348 /nfs/dbraw/zinc/16/83/48/135168348.db2.gz ITFAPHQBYSIWLZ-GRYCIOLGSA-N 1 0 206.333 2.847 10 30 BFEERO CNC(N[C@H](C)c1ccc(CC(C)C)cc1)=[NH+]C ZINC000262007673 135272369 /nfs/dbraw/zinc/27/23/69/135272369.db2.gz WADOVSIKGHBEMW-GFCCVEGCSA-N 1 0 247.386 2.741 10 30 BFEERO [NH2+]=C(N[C@H]1CCC12CCCC2)NC1CCCCC1 ZINC000263281621 135344629 /nfs/dbraw/zinc/34/46/29/135344629.db2.gz SBMORPWSXCVCFZ-ZDUSSCGKSA-N 1 0 249.402 2.946 10 30 BFEERO C=CCCCCC[N@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000193350914 135590816 /nfs/dbraw/zinc/59/08/16/135590816.db2.gz JWPMHUDNSCFNCO-AWEZNQCLSA-N 1 0 247.386 2.956 10 30 BFEERO C#CC[NH2+]C[C@H](C)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000053583941 166188901 /nfs/dbraw/zinc/18/89/01/166188901.db2.gz YNQRUJKKGJHTGT-RDBSUJKOSA-N 1 0 237.387 2.829 10 30 BFEERO C=CCN(CC=C)CC1(C[NH2+]C2CC2)CCCC1 ZINC000051216317 166334129 /nfs/dbraw/zinc/33/41/29/166334129.db2.gz OZMCTIZQNMPPPJ-UHFFFAOYSA-N 1 0 248.414 2.973 10 30 BFEERO C=CC[NH2+]CC[C@H](O)c1cc(C)ccc1C ZINC000049817434 166399241 /nfs/dbraw/zinc/39/92/41/166399241.db2.gz XQGDVHHKUQHQBV-AWEZNQCLSA-N 1 0 219.328 2.503 10 30 BFEERO C=CC[NH2+]CC[C@H](O)c1ccc(Cl)cc1 ZINC000049820293 166399372 /nfs/dbraw/zinc/39/93/72/166399372.db2.gz ZCLFMCCQYUYMNB-LBPRGKRZSA-N 1 0 225.719 2.539 10 30 BFEERO C=CC[NH2+]CC[C@@H](O)c1ccc(C)c(C)c1 ZINC000049817429 166399524 /nfs/dbraw/zinc/39/95/24/166399524.db2.gz AURZKCZWGLYAKQ-CQSZACIVSA-N 1 0 219.328 2.503 10 30 BFEERO CC(C)CC[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049614907 166833379 /nfs/dbraw/zinc/83/33/79/166833379.db2.gz ZRUHKUIDEGRTHK-UHFFFAOYSA-N 1 0 245.366 2.508 10 30 BFEERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054594268 167113373 /nfs/dbraw/zinc/11/33/73/167113373.db2.gz XKGXJMSSUWBVMM-UONOGXRCSA-N 1 0 214.312 2.660 10 30 BFEERO CC(C)N[C@H](C#N)[C@H](C)c1ccccc1 ZINC000041046395 167136950 /nfs/dbraw/zinc/13/69/50/167136950.db2.gz DQEXAQMMBONNEU-DGCLKSJQSA-N 1 0 202.301 2.680 10 30 BFEERO C=CCCC(C)(C)[NH2+]Cc1cnn(C)c1C ZINC000657805126 411600490 /nfs/dbraw/zinc/60/04/90/411600490.db2.gz KYLQYVKGHITIKD-UHFFFAOYSA-N 1 0 221.348 2.563 10 30 BFEERO CC[C@@H]1CSC(Nc2ccc(CC#N)cc2)=N1 ZINC000051601778 171113568 /nfs/dbraw/zinc/11/35/68/171113568.db2.gz OWWZZIKVQFGSHH-LLVKDONJSA-N 1 0 245.351 2.855 10 30 BFEERO CC[C@H](C[NH2+]CCS)Oc1ccccc1C ZINC000096328064 171437324 /nfs/dbraw/zinc/43/73/24/171437324.db2.gz LKVLVOVGRDOMHJ-GFCCVEGCSA-N 1 0 239.384 2.672 10 30 BFEERO CC[C@H]([NH3+])Cc1ccc(OCCCC#N)cc1 ZINC000037724010 171486639 /nfs/dbraw/zinc/48/66/39/171486639.db2.gz FKFRPOVLNCODBF-ZDUSSCGKSA-N 1 0 232.327 2.649 10 30 BFEERO C[NH+](C)/C=C\C=C\C(=O)c1ccccc1 ZINC000033374153 172352168 /nfs/dbraw/zinc/35/21/68/172352168.db2.gz HVBROFAHKRAJRB-QZTBCQRESA-N 1 0 201.269 2.501 10 30 BFEERO C[N@@H+]1CCCC[C@H]1c1ccccc1C#N ZINC000075907081 173009349 /nfs/dbraw/zinc/00/93/49/173009349.db2.gz MBUJMXVYBJQRGE-ZDUSSCGKSA-N 1 0 200.285 2.715 10 30 BFEERO C[C@H]1CCC[N@H+](C[C@@](C)(C=O)c2ccccc2)C1 ZINC000051175429 177100567 /nfs/dbraw/zinc/10/05/67/177100567.db2.gz LGBJQJCUBROYKG-HOCLYGCPSA-N 1 0 245.366 2.875 10 30 BFEERO C[C@H]1C[C@H](S)CC[N@@H+]1Cc1ccccc1 ZINC000073656721 177374678 /nfs/dbraw/zinc/37/46/78/177374678.db2.gz ALMZDSOAMGIJCJ-WCQYABFASA-N 1 0 221.369 2.969 10 30 BFEERO CC[N@@H+]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000112012365 323164663 /nfs/dbraw/zinc/16/46/63/323164663.db2.gz VMIUHDXBNNWDDX-LLVKDONJSA-N 1 0 247.317 2.594 10 30 BFEERO C=CCC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000121320275 324011070 /nfs/dbraw/zinc/01/10/70/324011070.db2.gz SFQAQTOOWIBCJP-KKUMJFAQSA-N 1 0 237.387 2.872 10 30 BFEERO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cccs1 ZINC000068752491 488129615 /nfs/dbraw/zinc/12/96/15/488129615.db2.gz USJIKVSJRXRKBG-SNVBAGLBSA-N 1 0 243.335 2.866 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000309627713 491153155 /nfs/dbraw/zinc/15/31/55/491153155.db2.gz GFIGCROTLFFCNP-MCIONIFRSA-N 1 0 225.376 2.872 10 30 BFEERO C=CC[C@H](C)[NH2+]Cc1ccn(CCC)c1 ZINC000169127970 534352066 /nfs/dbraw/zinc/35/20/66/534352066.db2.gz NQPJSQPQEVMNAY-LBPRGKRZSA-N 1 0 206.333 2.952 10 30 BFEERO C[N+](=O)Cc1c(Cl)cccc1Cl ZINC000107836664 518574431 /nfs/dbraw/zinc/57/44/31/518574431.db2.gz RXESCSNMPGYWQQ-VZUCSPMQSA-N 1 0 204.056 2.552 10 30 BFEERO C=CCCC[NH2+][C@H]1CC(=O)N(C)c2ccccc21 ZINC000280053586 534736602 /nfs/dbraw/zinc/73/66/02/534736602.db2.gz KWLHQALZBCDJQN-ZDUSSCGKSA-N 1 0 244.338 2.650 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404066290 528436514 /nfs/dbraw/zinc/43/65/14/528436514.db2.gz NXYAIBFSKLAIDY-SMDDNHRTSA-N 1 0 232.302 2.976 10 30 BFEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000261997696 535876453 /nfs/dbraw/zinc/87/64/53/535876453.db2.gz OMVZEYVLTZZSMT-ZWNOBZJWSA-N 1 0 245.370 2.946 10 30 BFEERO CCC(C)(C)[C@H]([NH3+])c1cccc(C#N)c1 ZINC000669380755 566425799 /nfs/dbraw/zinc/42/57/99/566425799.db2.gz VPWKGOZGVJTIOE-GFCCVEGCSA-N 1 0 202.301 2.994 10 30 BFEERO CCCCCCCC[NH2+]Cc1nccn1C ZINC000105932177 588231461 /nfs/dbraw/zinc/23/14/61/588231461.db2.gz UKMKKLXDYKMHPG-UHFFFAOYSA-N 1 0 223.364 2.870 10 30 BFEERO C#CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000125262327 590159768 /nfs/dbraw/zinc/15/97/68/590159768.db2.gz MYZFKXLOGNLDEV-AWEZNQCLSA-N 1 0 213.324 2.923 10 30 BFEERO CC(C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000051814096 631942227 /nfs/dbraw/zinc/94/22/27/631942227.db2.gz GJJLCBDKBLRESX-ZDUSSCGKSA-N 1 0 201.313 2.672 10 30 BFEERO C#Cc1ccc(C[NH2+][C@H]2C[C@@H]2CCC)cc1 ZINC000310040201 632696469 /nfs/dbraw/zinc/69/64/69/632696469.db2.gz XQKSOZYRWNMOAO-GJZGRUSLSA-N 1 0 213.324 2.946 10 30 BFEERO CCCCCCCCC(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000310180177 635309100 /nfs/dbraw/zinc/30/91/00/635309100.db2.gz NIIYRWFDYBUCCC-OLZOCXBDSA-N 1 0 240.391 2.685 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825284 640412047 /nfs/dbraw/zinc/41/20/47/640412047.db2.gz AKPHTFGARVYMBC-JSGCOSHPSA-N 1 0 232.302 2.650 10 30 BFEERO CCCCCCC[N@H+]1C[C@H](C(=O)OC)[C@H](C)C1 ZINC000228695602 640890418 /nfs/dbraw/zinc/89/04/18/640890418.db2.gz KUBRYWJBYGAEQJ-OLZOCXBDSA-N 1 0 241.375 2.698 10 30 BFEERO C#CCC[NH2+]Cc1cccc(Cl)c1F ZINC000229238004 640937922 /nfs/dbraw/zinc/93/79/22/640937922.db2.gz JCTNJFRMZYJUEK-UHFFFAOYSA-N 1 0 211.667 2.592 10 30 BFEERO C#CCC[NH2+]Cc1cc(C)c(C)cc1C ZINC000069768062 642904882 /nfs/dbraw/zinc/90/48/82/642904882.db2.gz SNEOTDLYJCSIFI-UHFFFAOYSA-N 1 0 201.313 2.725 10 30 BFEERO C#CCC[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000070245400 643005251 /nfs/dbraw/zinc/00/52/51/643005251.db2.gz BCMCMCIPMJPYCX-UHFFFAOYSA-N 1 0 247.338 2.595 10 30 BFEERO CCCCCCCCC(=O)NCC1CC([NH3+])C1 ZINC000091525089 644630002 /nfs/dbraw/zinc/63/00/02/644630002.db2.gz GQWNGKOQYWWGRR-UHFFFAOYSA-N 1 0 240.391 2.591 10 30 BFEERO C=C(Cl)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000253176598 644940919 /nfs/dbraw/zinc/94/09/19/644940919.db2.gz AERINVFVSZTXDV-OLZOCXBDSA-N 1 0 242.794 2.688 10 30 BFEERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000718767329 712782035 /nfs/dbraw/zinc/78/20/35/712782035.db2.gz WFWKHLAPYCDFGB-RQJABVFESA-N 1 0 236.359 2.616 10 30 BFEERO C#CC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000164590153 136225715 /nfs/dbraw/zinc/22/57/15/136225715.db2.gz VEGJYQLDOBSXMP-MELADBBJSA-N 1 0 235.371 2.726 10 30 BFEERO C=CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128908231 136227049 /nfs/dbraw/zinc/22/70/49/136227049.db2.gz NJJIEUWVKHCMIX-UHFFFAOYSA-N 1 0 234.318 2.888 10 30 BFEERO Cc1ccc(C#N)cc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000054243872 178367584 /nfs/dbraw/zinc/36/75/84/178367584.db2.gz WNJNEYOYEDRJCC-CQSZACIVSA-N 1 0 243.354 2.620 10 30 BFEERO C#CC(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000069679254 342807461 /nfs/dbraw/zinc/80/74/61/342807461.db2.gz WMEVHKOVVLTTSB-UHFFFAOYSA-N 1 0 213.733 2.903 10 30 BFEERO C=CCC[C@H](CC)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000381564259 539003666 /nfs/dbraw/zinc/00/36/66/539003666.db2.gz SNHRVNXVFBDSFN-RDBSUJKOSA-N 1 0 224.392 2.661 10 30 BFEERO C#C[C@H]([NH3+])c1ccccc1NC(=O)OC(C)(C)C ZINC000406852040 342878909 /nfs/dbraw/zinc/87/89/09/342878909.db2.gz CBWBNPOVTYMCDC-NSHDSACASA-N 1 0 246.310 2.667 10 30 BFEERO C[C@H]([NH3+])c1cccc(Oc2ncccc2C#N)c1 ZINC000058824605 398327408 /nfs/dbraw/zinc/32/74/08/398327408.db2.gz GVPOXPPSRIDJTI-JTQLQIEISA-N 1 0 239.278 2.765 10 30 BFEERO C=CC[P@](=O)(C[NH3+])OCc1ccccc1 ZINC000021993441 187205727 /nfs/dbraw/zinc/20/57/27/187205727.db2.gz CIDWCPSAUQHHMV-OAHLLOKOSA-N 1 0 225.228 2.584 10 30 BFEERO C=CC[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000033464955 187208622 /nfs/dbraw/zinc/20/86/22/187208622.db2.gz ALWOBHJXDYOMLG-AWEZNQCLSA-N 1 0 233.355 2.793 10 30 BFEERO O=CCC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036456894 343005281 /nfs/dbraw/zinc/00/52/81/343005281.db2.gz QEIHOCXNVUKYDB-HNNXBMFYSA-N 1 0 231.339 2.878 10 30 BFEERO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@H+]1CC1CCCC1 ZINC000584882919 343085426 /nfs/dbraw/zinc/08/54/26/343085426.db2.gz AJVBIBQNJSVIJE-DABQJJPHSA-N 1 0 223.360 2.865 10 30 BFEERO C=C(C)CC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000274809991 187238294 /nfs/dbraw/zinc/23/82/94/187238294.db2.gz HMDQEDKDIJERIO-CYBMUJFWSA-N 1 0 239.746 2.929 10 30 BFEERO Cc1ccc[n+](/C=C\C(=O)c2ccccc2)c1 ZINC000033373996 343252616 /nfs/dbraw/zinc/25/26/16/343252616.db2.gz WQACIYVNRIYALB-LUAWRHEFSA-N 1 0 224.283 2.636 10 30 BFEERO C=C(C)CC[NH2+][C@H]1CCc2c1cccc2O ZINC000296878048 136375985 /nfs/dbraw/zinc/37/59/85/136375985.db2.gz UXZURNQGMWURKQ-ZDUSSCGKSA-N 1 0 217.312 2.935 10 30 BFEERO C=CC[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000082863286 343469008 /nfs/dbraw/zinc/46/90/08/343469008.db2.gz NAGJEEHAKKICCU-BDAKNGLRSA-N 1 0 207.239 2.883 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1C[C@H]1C ZINC000321870085 343620480 /nfs/dbraw/zinc/62/04/80/343620480.db2.gz HDRSBVHPYJRVSS-NJMOYASZSA-N 1 0 206.333 2.703 10 30 BFEERO C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000129132367 344210371 /nfs/dbraw/zinc/21/03/71/344210371.db2.gz ZZOSMVWIAFAMQM-OLZOCXBDSA-N 1 0 219.332 2.533 10 30 BFEERO C#CC[C@@H]([NH3+])c1cccc(Br)c1F ZINC000236316116 344355289 /nfs/dbraw/zinc/35/52/89/344355289.db2.gz YLICANSHJVCERP-SECBINFHSA-N 1 0 242.091 2.611 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000054824812 344456546 /nfs/dbraw/zinc/45/65/46/344456546.db2.gz PMZDYLWUTPHNOA-AAEUAGOBSA-N 1 0 206.333 2.991 10 30 BFEERO C[C@H]1C[C@H](C)[N@H+](CC(C)(C)CS)C1 ZINC000158403635 344643992 /nfs/dbraw/zinc/64/39/92/344643992.db2.gz DQCVTXZGHYOLSB-UWVGGRQHSA-N 1 0 201.379 2.673 10 30 BFEERO C=C(Cl)COc1c(C)cc(C[NH3+])cc1C ZINC000037698784 187292943 /nfs/dbraw/zinc/29/29/43/187292943.db2.gz OJMJKIMSOHFJJO-UHFFFAOYSA-N 1 0 225.719 2.893 10 30 BFEERO CSC1(C[NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000235116218 344801276 /nfs/dbraw/zinc/80/12/76/344801276.db2.gz WDTMPWBQLUPLAJ-QWRGUYRKSA-N 1 0 224.373 2.554 10 30 BFEERO C#CC[N@@H+]1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000155294789 345076185 /nfs/dbraw/zinc/07/61/85/345076185.db2.gz XATRCBITHHJVRB-TZMCWYRMSA-N 1 0 229.323 2.506 10 30 BFEERO O/[N+](=C\c1ccccc1)Cc1ccccc1 ZINC000137312834 345604927 /nfs/dbraw/zinc/60/49/27/345604927.db2.gz QHSDUKNRGCBGCD-PTNGSMBKSA-N 1 0 212.272 2.707 10 30 BFEERO C=C[C@@H](C)OCCC[NH2+]Cc1ccccc1 ZINC000158857041 345610083 /nfs/dbraw/zinc/61/00/83/345610083.db2.gz JVURJKQIGUPOQE-CYBMUJFWSA-N 1 0 219.328 2.757 10 30 BFEERO CC#CC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000159997903 345779960 /nfs/dbraw/zinc/77/99/60/345779960.db2.gz KGUOUWNRLLZUMP-GFCCVEGCSA-N 1 0 234.368 2.654 10 30 BFEERO C=C(Cl)CNc1ccc(N(C)C)cc1 ZINC000058733163 187360649 /nfs/dbraw/zinc/36/06/49/187360649.db2.gz AYLXMIIURJQVAG-UHFFFAOYSA-N 1 0 210.708 2.917 10 30 BFEERO CC#C[C@H]1NCCc2cccc(Cl)c21 ZINC000083661198 187319654 /nfs/dbraw/zinc/31/96/54/187319654.db2.gz CCISPJBZGGLRCV-LLVKDONJSA-N 1 0 205.688 2.550 10 30 BFEERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC000309604605 347120436 /nfs/dbraw/zinc/12/04/36/347120436.db2.gz YIRMJLIURNPQKH-SRVKXCTJSA-N 1 0 218.300 2.931 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000382190142 347225546 /nfs/dbraw/zinc/22/55/46/347225546.db2.gz BPAMYPSVHZSZBT-UMSGYPCISA-N 1 0 206.333 2.847 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000382190136 347225585 /nfs/dbraw/zinc/22/55/85/347225585.db2.gz BPAMYPSVHZSZBT-FVCCEPFGSA-N 1 0 206.333 2.847 10 30 BFEERO COC1(C[NH2+][C@H]2CCCC[C@H]2C#N)CCCC1 ZINC000310361688 347271737 /nfs/dbraw/zinc/27/17/37/347271737.db2.gz UNJOLEHEHIMKJT-STQMWFEESA-N 1 0 236.359 2.618 10 30 BFEERO Cc1cccc2c1CC[NH2+][C@H]2[C@@H](C)S ZINC000083731654 179214267 /nfs/dbraw/zinc/21/42/67/179214267.db2.gz FRUPPGGZVHWKGV-SKDRFNHKSA-N 1 0 207.342 2.500 10 30 BFEERO Cc1cccc2c1[C@@H]([C@H](C)S)[NH2+]CC2 ZINC000075640754 179223125 /nfs/dbraw/zinc/22/31/25/179223125.db2.gz MNTOHAMTODEWJP-JOYOIKCWSA-N 1 0 207.342 2.500 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000063100010 347514747 /nfs/dbraw/zinc/51/47/47/347514747.db2.gz LQPSNYGYOBZFHF-RKDXNWHRSA-N 1 0 220.238 2.611 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000252978592 347825220 /nfs/dbraw/zinc/82/52/20/347825220.db2.gz CQLBQVFUIDWOIS-SRVKXCTJSA-N 1 0 224.373 2.554 10 30 BFEERO C=CC[C@@H](SC)[C@H]([NH3+])c1ccccc1 ZINC000196332994 347868510 /nfs/dbraw/zinc/86/85/10/347868510.db2.gz BQYVSAANSXOELQ-VXGBXAGGSA-N 1 0 207.342 2.994 10 30 BFEERO C=CCCOc1nc(C)cc(C)c1C[NH2+]CC ZINC000051522866 166275872 /nfs/dbraw/zinc/27/58/72/166275872.db2.gz USDPFECHQNMXGM-UHFFFAOYSA-N 1 0 234.343 2.763 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595688060 348313981 /nfs/dbraw/zinc/31/39/81/348313981.db2.gz FWNGTRBYYWBRHM-PDWCTOEPSA-N 1 0 218.344 2.704 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000595692438 348317553 /nfs/dbraw/zinc/31/75/53/348317553.db2.gz XNZGWKKUFUIZSG-STQMWFEESA-N 1 0 204.317 2.625 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1CC=CC1 ZINC000595692434 348317565 /nfs/dbraw/zinc/31/75/65/348317565.db2.gz XNZGWKKUFUIZSG-OLZOCXBDSA-N 1 0 204.317 2.625 10 30 BFEERO C=C[C@H]([NH2+]C)c1sccc1Br ZINC000130486460 362921371 /nfs/dbraw/zinc/92/13/71/362921371.db2.gz NYYUWKNCKZPRSM-ZETCQYMHSA-N 1 0 232.146 2.957 10 30 BFEERO N#C[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000616574036 349075742 /nfs/dbraw/zinc/07/57/42/349075742.db2.gz OCQGNUFMVSYPPB-RBSFLKMASA-N 1 0 226.323 2.668 10 30 BFEERO CCCCCCCC[NH2+][C@@H]1COC[C@H]1F ZINC000616581502 349264663 /nfs/dbraw/zinc/26/46/63/349264663.db2.gz WBFBMQOFGVQRBY-VXGBXAGGSA-N 1 0 217.328 2.673 10 30 BFEERO CC#CC[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000051665082 350022609 /nfs/dbraw/zinc/02/26/09/350022609.db2.gz VPIALJDMNRHMNX-GFCCVEGCSA-N 1 0 207.704 2.623 10 30 BFEERO CCC(=[NH2+])Nc1cc(OC)ccc1Cl ZINC000062991577 350111783 /nfs/dbraw/zinc/11/17/83/350111783.db2.gz DWIVKMFSLJLUKC-UHFFFAOYSA-N 1 0 212.680 2.747 10 30 BFEERO CC(C)[N@@H+]1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616598992 350701299 /nfs/dbraw/zinc/70/12/99/350701299.db2.gz NLGYESRSVQUZNZ-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO CCCCCCCC(=O)N(C)[C@@H]1CCC[NH2+]C1 ZINC000102957835 168647341 /nfs/dbraw/zinc/64/73/41/168647341.db2.gz KTHDJMYOTYYJKI-CYBMUJFWSA-N 1 0 240.391 2.557 10 30 BFEERO CC[N@@H+]1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616606825 350799013 /nfs/dbraw/zinc/79/90/13/350799013.db2.gz ITCVIJOARNPQBT-CYBMUJFWSA-N 1 0 200.285 2.715 10 30 BFEERO CCCCCCCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000106227239 168652898 /nfs/dbraw/zinc/65/28/98/168652898.db2.gz OJQVDHYESSXSFZ-STQMWFEESA-N 1 0 242.407 2.837 10 30 BFEERO CC(C)[N@@H+]1CCCOC[C@@H]1c1ccccc1C#N ZINC000616645238 351167675 /nfs/dbraw/zinc/16/76/75/351167675.db2.gz ITBMAAKOLMBUNB-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO CC(C)[N@@H+]1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616653856 351194791 /nfs/dbraw/zinc/19/47/91/351194791.db2.gz WUTDIWFGXOJNGV-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO C=C(Br)C[NH2+][C@@H]1CC12CCCC2 ZINC000307024027 351430841 /nfs/dbraw/zinc/43/08/41/351430841.db2.gz VSGBGJXWMPOAET-SECBINFHSA-N 1 0 230.149 2.817 10 30 BFEERO C=CCN(CC=C)CC[C@@H]([NH3+])c1ccccc1 ZINC000020071281 166335530 /nfs/dbraw/zinc/33/55/30/166335530.db2.gz YYTPFSULSSWAAC-OAHLLOKOSA-N 1 0 230.355 2.751 10 30 BFEERO CCC[C@H]([NH3+])C#Cc1ccsc1Cl ZINC000307143163 351502340 /nfs/dbraw/zinc/50/23/40/351502340.db2.gz GDISRXOSFKTZHN-VIFPVBQESA-N 1 0 213.733 2.880 10 30 BFEERO CC(=O)/C=C1\CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000307187048 351588569 /nfs/dbraw/zinc/58/85/69/351588569.db2.gz VIJHAXKBJWAQJR-LERPTODRSA-N 1 0 229.323 2.796 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000088163011 351671538 /nfs/dbraw/zinc/67/15/38/351671538.db2.gz PJHIMBRXQAVFHY-DRZSPHRISA-N 1 0 206.333 2.847 10 30 BFEERO C=CCn1c(C)cc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000041731258 187703085 /nfs/dbraw/zinc/70/30/85/187703085.db2.gz MLSFOAYIEMFKIV-LBPRGKRZSA-N 1 0 218.344 2.955 10 30 BFEERO C[C@H](CCC#N)[NH2+]C1(C2CCC2)CCC1 ZINC000411821228 191212533 /nfs/dbraw/zinc/21/25/33/191212533.db2.gz NRCXLPKLDJSGPH-LLVKDONJSA-N 1 0 206.333 2.991 10 30 BFEERO CC(C)[C@@H]([NH3+])C#Cc1ccc(Cl)s1 ZINC000300953453 352580639 /nfs/dbraw/zinc/58/06/39/352580639.db2.gz QBCOJMUCKUOZTA-VIFPVBQESA-N 1 0 213.733 2.736 10 30 BFEERO CC(=O)/C=C1/C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307637246 352725772 /nfs/dbraw/zinc/72/57/72/352725772.db2.gz WKQFLCGERKHMKB-CDCQXCROSA-N 1 0 229.323 2.796 10 30 BFEERO C=C(C)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000253193329 538105342 /nfs/dbraw/zinc/10/53/42/538105342.db2.gz OMVACDWZVFAVPZ-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)COc1ccc(C[C@H]([NH3+])CC)cc1OC ZINC000037727269 187981071 /nfs/dbraw/zinc/98/10/71/187981071.db2.gz ZAHJKGBDRNJOAV-CYBMUJFWSA-N 1 0 249.354 2.930 10 30 BFEERO C=CC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000032600017 188011557 /nfs/dbraw/zinc/01/15/57/188011557.db2.gz LVTYOYKHCJXMTN-CQSZACIVSA-N 1 0 217.312 2.636 10 30 BFEERO C=C(C)[C@@H]([NH3+])c1coc(Br)c1 ZINC000307756015 353129753 /nfs/dbraw/zinc/12/97/53/353129753.db2.gz GIFZJWFHHAFQAO-MRVPVSSYSA-N 1 0 216.078 2.618 10 30 BFEERO C=C[C@@H](C)Oc1c(C[C@H](C)[NH3+])cccc1OCC ZINC000052144332 188046942 /nfs/dbraw/zinc/04/69/42/188046942.db2.gz JWTYCURHIMKZLJ-NWDGAFQWSA-N 1 0 249.354 2.928 10 30 BFEERO C=CCn1cnc(-c2ccc(OCC)cc2)c1N ZINC000103499557 188051795 /nfs/dbraw/zinc/05/17/95/188051795.db2.gz ZJPZWLXOPJKRDD-UHFFFAOYSA-N 1 0 243.310 2.717 10 30 BFEERO N#CCCCCc1[nH]c2c([nH+]1)CCCC2 ZINC000075603728 188289802 /nfs/dbraw/zinc/28/98/02/188289802.db2.gz SGMCXJOVPXIXMT-UHFFFAOYSA-N 1 0 203.289 2.525 10 30 BFEERO CC(C)[NH+]1CCC(C#N)(N2CCCCCC2)CC1 ZINC000038086132 188290667 /nfs/dbraw/zinc/29/06/67/188290667.db2.gz VIWMBSIJZQMLST-UHFFFAOYSA-N 1 0 249.402 2.629 10 30 BFEERO [NH2+]=C(NCCc1ccccc1F)c1ccccc1 ZINC000062988850 188304212 /nfs/dbraw/zinc/30/42/12/188304212.db2.gz YDVNDKUYLCLDHX-UHFFFAOYSA-N 1 0 242.297 2.774 10 30 BFEERO C=C(Cl)COc1ccccc1[C@@H](C)[NH3+] ZINC000037697646 188326641 /nfs/dbraw/zinc/32/66/41/188326641.db2.gz XJVAMFJWENSOSG-SECBINFHSA-N 1 0 211.692 2.838 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334542138 353977124 /nfs/dbraw/zinc/97/71/24/353977124.db2.gz UOAOKKBGDCQOAT-ZYHUDNBSSA-N 1 0 204.317 2.601 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000054824077 181058187 /nfs/dbraw/zinc/05/81/87/181058187.db2.gz CCDFAIDCXBATNL-WCQYABFASA-N 1 0 234.368 2.963 10 30 BFEERO N#Cc1c(Cl)cccc1NCC[C@@H]1CC[NH2+]C1 ZINC000104363207 181073473 /nfs/dbraw/zinc/07/34/73/181073473.db2.gz JKKDOBJHUBEQKE-JTQLQIEISA-N 1 0 249.745 2.623 10 30 BFEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000054827392 181067178 /nfs/dbraw/zinc/06/71/78/181067178.db2.gz RVEPEQFURKOCMJ-RDBSUJKOSA-N 1 0 236.359 2.618 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@H]1CCCC[C@H]1[NH3+] ZINC000052858645 181086858 /nfs/dbraw/zinc/08/68/58/181086858.db2.gz MDWTVTHOWZXQMU-YPMHNXCESA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335579780 181087106 /nfs/dbraw/zinc/08/71/06/181087106.db2.gz IKRMSVUIFLSAQA-CABZTGNLSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335579779 181087164 /nfs/dbraw/zinc/08/71/64/181087164.db2.gz IKRMSVUIFLSAQA-BXKDBHETSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000093211574 181111677 /nfs/dbraw/zinc/11/16/77/181111677.db2.gz LFTSFLILLSOORD-VXGBXAGGSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000093211576 181111996 /nfs/dbraw/zinc/11/19/96/181111996.db2.gz LFTSFLILLSOORD-NEPJUHHUSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000093210925 181124544 /nfs/dbraw/zinc/12/45/44/181124544.db2.gz AFTCRDNPBIQRQZ-GHMZBOCLSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1Cl ZINC000093210923 181125166 /nfs/dbraw/zinc/12/51/66/181125166.db2.gz AFTCRDNPBIQRQZ-WDEREUQCSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(N[C@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000335583101 181126114 /nfs/dbraw/zinc/12/61/14/181126114.db2.gz VDKVFCHGRVLDLW-KOLCDFICSA-N 1 0 249.745 2.751 10 30 BFEERO COC1(CC[NH2+][C@H]2CCCC[C@H]2C#N)CCC1 ZINC000383888681 355658338 /nfs/dbraw/zinc/65/83/38/355658338.db2.gz UHXBIYJCWXPNLV-STQMWFEESA-N 1 0 236.359 2.618 10 30 BFEERO C[C@@H]([NH3+])C#Cc1cccc(Cl)c1Cl ZINC000166983715 355945738 /nfs/dbraw/zinc/94/57/38/355945738.db2.gz MWRFBUBFXHMPGE-SSDOTTSWSA-N 1 0 214.095 2.692 10 30 BFEERO C[C@H]1CC2(CCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000336131314 134094870 /nfs/dbraw/zinc/09/48/70/134094870.db2.gz DIKKCGOCKCCMHL-NSHDSACASA-N 1 0 204.317 2.555 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000168588506 356425334 /nfs/dbraw/zinc/42/53/34/356425334.db2.gz ZLXIYXCGCWFZHU-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO C[C@@H]1C[C@H]([C@H]2C[NH2+]C[C@H](C=O)C2)CC(C)(C)C1 ZINC000675059581 538484518 /nfs/dbraw/zinc/48/45/18/538484518.db2.gz JLULJIQMYZSVSU-YIYPIFLZSA-N 1 0 237.387 2.873 10 30 BFEERO C[C@@H]1C[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC(C)(C)C1 ZINC000675059580 538484597 /nfs/dbraw/zinc/48/45/97/538484597.db2.gz JLULJIQMYZSVSU-RFGFWPKPSA-N 1 0 237.387 2.873 10 30 BFEERO C=C[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000161695382 356691150 /nfs/dbraw/zinc/69/11/50/356691150.db2.gz IQRFVGNHTZQVDK-SNVBAGLBSA-N 1 0 226.117 2.943 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc(C)c(Br)s1 ZINC000168663432 356993790 /nfs/dbraw/zinc/99/37/90/356993790.db2.gz UIFRONGLVYDSRP-SSDOTTSWSA-N 1 0 244.157 2.842 10 30 BFEERO C=CCCCCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000390626414 357108251 /nfs/dbraw/zinc/10/82/51/357108251.db2.gz HIYDNGORSRBRAW-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000168607427 357075719 /nfs/dbraw/zinc/07/57/19/357075719.db2.gz JQRGYMAHVCASDQ-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO C#C[C@H]([NH2+]C)c1cc(C)cc(Br)c1 ZINC000130099333 357311424 /nfs/dbraw/zinc/31/14/24/357311424.db2.gz FYVLDAQUNBANKV-NSHDSACASA-N 1 0 238.128 2.651 10 30 BFEERO N#CCCC[NH+]1CCC(c2nccs2)CC1 ZINC000373991905 134235010 /nfs/dbraw/zinc/23/50/10/134235010.db2.gz JFDYNDQGFVSRLN-UHFFFAOYSA-N 1 0 235.356 2.626 10 30 BFEERO C=CCOC[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000584595246 358252583 /nfs/dbraw/zinc/25/25/83/358252583.db2.gz VWQCLZZRKZZIID-LLVKDONJSA-N 1 0 229.682 2.682 10 30 BFEERO C=CC[C@@H](Cc1ccccc1)[N@H+](CC)CCCO ZINC000584621244 358288813 /nfs/dbraw/zinc/28/88/13/358288813.db2.gz XUCXLETYIFCHOM-INIZCTEOSA-N 1 0 247.382 2.878 10 30 BFEERO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000052273726 358777225 /nfs/dbraw/zinc/77/72/25/358777225.db2.gz OSBZMESDABFISS-WCQYABFASA-N 1 0 217.312 2.749 10 30 BFEERO C#C[C@@H]([NH2+]C)c1ccc(Br)c(C)c1 ZINC000130223543 358964951 /nfs/dbraw/zinc/96/49/51/358964951.db2.gz ZHAXOBUIYZSVHU-LLVKDONJSA-N 1 0 238.128 2.651 10 30 BFEERO CC(C)[C@@H]([NH3+])C#Cc1ccsc1Cl ZINC000306381376 359732127 /nfs/dbraw/zinc/73/21/27/359732127.db2.gz RZFVWGJPSIIUJO-VIFPVBQESA-N 1 0 213.733 2.736 10 30 BFEERO C=C(C)CCN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000352024702 366547920 /nfs/dbraw/zinc/54/79/20/366547920.db2.gz IHIHPPSRGDUUEU-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000351751170 366540238 /nfs/dbraw/zinc/54/02/38/366540238.db2.gz HALKPUNSTDEDHH-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)[C@H]([NH3+])Cc1cccc(Cl)c1F ZINC000169283846 360070207 /nfs/dbraw/zinc/07/02/07/360070207.db2.gz FYNSMDPGYKYCCM-SNVBAGLBSA-N 1 0 213.683 2.925 10 30 BFEERO C=C(Br)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000306527610 360369467 /nfs/dbraw/zinc/36/94/67/360369467.db2.gz YBXRGUYTONDIFB-FTLITQJKSA-N 1 0 218.138 2.529 10 30 BFEERO [NH3+]CC#Cc1ccc(COc2ccccc2)cc1 ZINC000049610524 181345873 /nfs/dbraw/zinc/34/58/73/181345873.db2.gz QPKPGJUZBYDBQL-UHFFFAOYSA-N 1 0 237.302 2.576 10 30 BFEERO C[C@H]1[C@H](O)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000385150503 367802544 /nfs/dbraw/zinc/80/25/44/367802544.db2.gz JZDGCXPNBIEWOG-QWHCGFSZSA-N 1 0 238.375 2.552 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000130874763 369306062 /nfs/dbraw/zinc/30/60/62/369306062.db2.gz AYOYBNSJDJYVGY-LBPRGKRZSA-N 1 0 203.285 2.588 10 30 BFEERO C[C@H]1CC[C@@H](Nc2ccc(Cl)cc2C#N)C[NH2+]1 ZINC000600955648 369578404 /nfs/dbraw/zinc/57/84/04/369578404.db2.gz PJZRDRODCZCDLJ-JOYOIKCWSA-N 1 0 249.745 2.764 10 30 BFEERO C[C@H](Cc1ccsc1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251796161 369969853 /nfs/dbraw/zinc/96/98/53/369969853.db2.gz XHDIPZNAPHSYQI-WXHSDQCUSA-N 1 0 234.368 2.961 10 30 BFEERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251796157 369970209 /nfs/dbraw/zinc/97/02/09/369970209.db2.gz XHDIPZNAPHSYQI-KGYLQXTDSA-N 1 0 234.368 2.961 10 30 BFEERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000124038921 371134457 /nfs/dbraw/zinc/13/44/57/371134457.db2.gz VJBNIXAELKDTBV-UHTWSYAYSA-N 1 0 206.333 2.847 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000389986414 371183643 /nfs/dbraw/zinc/18/36/43/371183643.db2.gz DILJCFCPSWTJCW-GXSJLCMTSA-N 1 0 228.286 2.846 10 30 BFEERO C[C@@H]1CC[N@H+](CC2(CS)CC2)[C@@H](C)C1 ZINC000227246112 371814807 /nfs/dbraw/zinc/81/48/07/371814807.db2.gz WGMDOAJSJRJRQZ-MNOVXSKESA-N 1 0 213.390 2.817 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@@H]1SCCS[C@@H]1CC ZINC000228144795 371996922 /nfs/dbraw/zinc/99/69/22/371996922.db2.gz CAJWCDIICFFNRV-KXUCPTDWSA-N 1 0 217.403 2.517 10 30 BFEERO C=C[C@@H]([NH3+])c1cccc(C)c1Br ZINC000229297072 372137309 /nfs/dbraw/zinc/13/73/09/372137309.db2.gz VSRZGEUUQJAOCO-SECBINFHSA-N 1 0 226.117 2.943 10 30 BFEERO C=C[C@H]([NH3+])c1cccc(C)c1Br ZINC000229297083 372138418 /nfs/dbraw/zinc/13/84/18/372138418.db2.gz VSRZGEUUQJAOCO-VIFPVBQESA-N 1 0 226.117 2.943 10 30 BFEERO CCC[N@H+](CC)Cc1ccccc1C#CCCO ZINC000049617312 169130332 /nfs/dbraw/zinc/13/03/32/169130332.db2.gz NVPDZPVWTGAHAS-UHFFFAOYSA-N 1 0 245.366 2.652 10 30 BFEERO CCCN(c1ccccc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000104342224 169182530 /nfs/dbraw/zinc/18/25/30/169182530.db2.gz QWRUXDKCQKRVMC-CQSZACIVSA-N 1 0 243.354 2.527 10 30 BFEERO CCC[NH+]1CCC(C#N)(N2CCCCCC2)CC1 ZINC000038086117 169186070 /nfs/dbraw/zinc/18/60/70/169186070.db2.gz QZXNCRRSRLOHAY-UHFFFAOYSA-N 1 0 249.402 2.631 10 30 BFEERO CCCN[C@H](C#N)CC[N@H+](C)[C@@H](C)CC(C)C ZINC000062437550 169284057 /nfs/dbraw/zinc/28/40/57/169284057.db2.gz MCLAJMIBMQNORN-KBPBESRZSA-N 1 0 239.407 2.635 10 30 BFEERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@H](C)C#N ZINC000062799878 169283292 /nfs/dbraw/zinc/28/32/92/169283292.db2.gz JXNXYPBVFNQVON-BXUZGUMPSA-N 1 0 244.338 2.964 10 30 BFEERO CCCSCc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049611238 169339507 /nfs/dbraw/zinc/33/95/07/169339507.db2.gz JUMHVVDDXMFUPV-UHFFFAOYSA-N 1 0 249.379 2.649 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233408023 169539311 /nfs/dbraw/zinc/53/93/11/169539311.db2.gz ZOEHMLGOXSEMCH-GXTWGEPZSA-N 1 0 244.338 2.845 10 30 BFEERO N#Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)ccc1F ZINC000334912993 383979194 /nfs/dbraw/zinc/97/91/94/383979194.db2.gz OMLLSQMEPIZIQZ-FZMZJTMJSA-N 1 0 230.286 2.682 10 30 BFEERO C[C@H](CC#N)[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000090977011 384085848 /nfs/dbraw/zinc/08/58/48/384085848.db2.gz QNYNLXQHYHPQGP-YPMHNXCESA-N 1 0 214.312 2.560 10 30 BFEERO N#CC1CC[NH+](C[C@@H]2Cc3ccccc32)CC1 ZINC000090977037 384087360 /nfs/dbraw/zinc/08/73/60/384087360.db2.gz GKCITTPTONRHBP-AWEZNQCLSA-N 1 0 226.323 2.562 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000165235299 384409836 /nfs/dbraw/zinc/40/98/36/384409836.db2.gz SDFKZXXNRXFAPR-BXKDBHETSA-N 1 0 220.341 2.898 10 30 BFEERO SCC[NH2+]CCCCOC1CCCCC1 ZINC000096328037 384451939 /nfs/dbraw/zinc/45/19/39/384451939.db2.gz WCODNXQDZZEKLE-UHFFFAOYSA-N 1 0 231.405 2.635 10 30 BFEERO CC[C@H]([NH2+]Cc1nc(C#N)cs1)C(C)(C)C ZINC000310032383 384799050 /nfs/dbraw/zinc/79/90/50/384799050.db2.gz RLVVQQZYEJFFRN-JTQLQIEISA-N 1 0 237.372 2.929 10 30 BFEERO CC#CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087369691 384931383 /nfs/dbraw/zinc/93/13/83/384931383.db2.gz ZTKNIIVUGPLPRM-NSHDSACASA-N 1 0 205.276 2.808 10 30 BFEERO C=CC[C@@H](CO)C[NH2+][C@H](CC)C(C)(C)C ZINC000309092257 385009983 /nfs/dbraw/zinc/00/99/83/385009983.db2.gz CMZYXCUUWWKJGT-VXGBXAGGSA-N 1 0 213.365 2.585 10 30 BFEERO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308895686 385249804 /nfs/dbraw/zinc/24/98/04/385249804.db2.gz ZZIBQARGQKEQTI-VXGBXAGGSA-N 1 0 212.312 2.798 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)[C@H]1CC1(C)C ZINC000308988772 385335053 /nfs/dbraw/zinc/33/50/53/385335053.db2.gz KMPIAARGCUEXBC-NNYUYHANSA-N 1 0 206.333 2.703 10 30 BFEERO Cc1ccc([C@H](C)NCCC#N)cc1C ZINC000020199965 385422588 /nfs/dbraw/zinc/42/25/88/385422588.db2.gz HXNRCWJGXQIGHB-LBPRGKRZSA-N 1 0 202.301 2.868 10 30 BFEERO CC(C)[NH2+]CC#Cc1ccc(Cl)s1 ZINC000575595124 386367431 /nfs/dbraw/zinc/36/74/31/386367431.db2.gz VUKUBXOOPOWUHF-UHFFFAOYSA-N 1 0 213.733 2.751 10 30 BFEERO Cc1ccsc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000061891129 386551952 /nfs/dbraw/zinc/55/19/52/386551952.db2.gz QXQMQTRWMQCKAM-QWRGUYRKSA-N 1 0 220.341 2.838 10 30 BFEERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000061891128 386552802 /nfs/dbraw/zinc/55/28/02/386552802.db2.gz QXQMQTRWMQCKAM-WDEREUQCSA-N 1 0 220.341 2.838 10 30 BFEERO CC[C@@](C)([NH3+])C#Cc1cccc(Cl)c1 ZINC000306680987 386662700 /nfs/dbraw/zinc/66/27/00/386662700.db2.gz MQIHXSFYFFKRIK-GFCCVEGCSA-N 1 0 207.704 2.819 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1c(F)ccc(OC)c1F ZINC000575438077 387111877 /nfs/dbraw/zinc/11/18/77/387111877.db2.gz FMMNFXLOZZECJA-VIFPVBQESA-N 1 0 227.254 2.939 10 30 BFEERO CC[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCC1 ZINC000322534239 387303392 /nfs/dbraw/zinc/30/33/92/387303392.db2.gz NDWLFWQRZCIXOO-AVGNSLFASA-N 1 0 206.333 2.847 10 30 BFEERO C=C[C@@H]([NH3+])c1cc(Cl)cc(F)c1F ZINC000575496169 387324308 /nfs/dbraw/zinc/32/43/08/387324308.db2.gz KLOCZVKAKDZXOB-MRVPVSSYSA-N 1 0 203.619 2.804 10 30 BFEERO CC(C)[NH2+]CC#Cc1sccc1Cl ZINC000575595100 387325757 /nfs/dbraw/zinc/32/57/57/387325757.db2.gz VBXLNXAJCGSXJZ-UHFFFAOYSA-N 1 0 213.733 2.751 10 30 BFEERO O=C1C=C([NH2+]N2CCCc3ccccc32)CCC1 ZINC000100051569 387349911 /nfs/dbraw/zinc/34/99/11/387349911.db2.gz MXQNTTFANZXYBY-SSZFMOIBSA-N 1 0 242.322 2.938 10 30 BFEERO CC(C)C1([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000293143286 387511839 /nfs/dbraw/zinc/51/18/39/387511839.db2.gz UHVHPPCROGSFAW-UHFFFAOYSA-N 1 0 232.302 2.976 10 30 BFEERO CC#CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000162004548 387808012 /nfs/dbraw/zinc/80/80/12/387808012.db2.gz SOOLYZXPRIMLJK-ZDUSSCGKSA-N 1 0 201.313 2.977 10 30 BFEERO N#CCCCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000105938892 387940419 /nfs/dbraw/zinc/94/04/19/387940419.db2.gz KKUNJUOVDYBDSG-JTQLQIEISA-N 1 0 234.265 2.955 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000459487796 387951701 /nfs/dbraw/zinc/95/17/01/387951701.db2.gz WLHIIXCKQNWBOA-GARJFASQSA-N 1 0 228.286 2.704 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000220722295 388607683 /nfs/dbraw/zinc/60/76/83/388607683.db2.gz RFCODXMIHVGMMW-ZYHUDNBSSA-N 1 0 224.373 2.554 10 30 BFEERO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248492343 388682173 /nfs/dbraw/zinc/68/21/73/388682173.db2.gz JHKXQAPPJINSOH-JHJVBQTASA-N 1 0 225.376 2.728 10 30 BFEERO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000309386494 533297899 /nfs/dbraw/zinc/29/78/99/533297899.db2.gz FDMYCHOQNREORU-DDHJSBNISA-N 1 0 213.324 2.790 10 30 BFEERO Cc1ccc(C#N)c(N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000063196678 132389338 /nfs/dbraw/zinc/38/93/38/132389338.db2.gz PAXWGTXLRDXLAZ-TZMCWYRMSA-N 1 0 243.354 2.573 10 30 BFEERO C[C@@H]1CC2(CCC2)C[N@@H+]1CC1(C#N)CC1 ZINC000336131313 134094724 /nfs/dbraw/zinc/09/47/24/134094724.db2.gz DIKKCGOCKCCMHL-LLVKDONJSA-N 1 0 204.317 2.555 10 30 BFEERO C=CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000121145819 134231501 /nfs/dbraw/zinc/23/15/01/134231501.db2.gz ASXCXZHLLBMIEU-STQMWFEESA-N 1 0 225.376 2.728 10 30 BFEERO C=CCSCC[NH2+]Cc1ccn(CCC)c1 ZINC000233384635 134562567 /nfs/dbraw/zinc/56/25/67/134562567.db2.gz ZDBJAVGBUAQFQI-UHFFFAOYSA-N 1 0 238.400 2.907 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309517781 134598448 /nfs/dbraw/zinc/59/84/48/134598448.db2.gz SGNBMSGLHHJUOA-XDQVBPFNSA-N 1 0 218.344 2.847 10 30 BFEERO N#CCCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000127854975 134611189 /nfs/dbraw/zinc/61/11/89/134611189.db2.gz FJICJFRRDMASPD-KBPBESRZSA-N 1 0 246.358 2.650 10 30 BFEERO CC(C)[C@@H]([NH3+])CNc1cc(Cl)ccc1C#N ZINC000070010527 134906182 /nfs/dbraw/zinc/90/61/82/134906182.db2.gz FKCZNAUWZBLOLD-NSHDSACASA-N 1 0 237.734 2.607 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)C1CCSCC1 ZINC000336758735 134936529 /nfs/dbraw/zinc/93/65/29/134936529.db2.gz ZQMKLDLUKDLVKR-DRZSPHRISA-N 1 0 238.400 2.800 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000250805862 135058843 /nfs/dbraw/zinc/05/88/43/135058843.db2.gz HWLDVDBMLGXAHB-ZQDZILKHSA-N 1 0 226.323 2.824 10 30 BFEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000252187391 135086637 /nfs/dbraw/zinc/08/66/37/135086637.db2.gz RANJHTNJXPMUDP-MROQNXINSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@@H](CC#N)[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000251623065 135093242 /nfs/dbraw/zinc/09/32/42/135093242.db2.gz QNYNLXQHYHPQGP-WCQYABFASA-N 1 0 214.312 2.560 10 30 BFEERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000252697990 135098186 /nfs/dbraw/zinc/09/81/86/135098186.db2.gz KMYBTVMJXDRQJK-ZLDLUXBVSA-N 1 0 244.338 2.605 10 30 BFEERO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253091522 135121156 /nfs/dbraw/zinc/12/11/56/135121156.db2.gz JUMLNXMLZNEZII-BFHYXJOUSA-N 1 0 223.360 2.578 10 30 BFEERO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253095029 135121354 /nfs/dbraw/zinc/12/13/54/135121354.db2.gz OHQVOQFBVRAUKQ-YNEHKIRRSA-N 1 0 243.778 2.754 10 30 BFEERO C[NH+]=C(N[C@H](C)c1ccc(C)c(F)c1)NC1CC1 ZINC000261983380 135269584 /nfs/dbraw/zinc/26/95/84/135269584.db2.gz PKLSDFUNQXWWSV-SNVBAGLBSA-N 1 0 249.333 2.523 10 30 BFEERO Cc1cc(C)cc(NC(=[NH2+])N[C@@H]2CC2(C)C)c1 ZINC000262006152 135272128 /nfs/dbraw/zinc/27/21/28/135272128.db2.gz RLEAXEBZVYQYTP-GFCCVEGCSA-N 1 0 231.343 2.829 10 30 BFEERO C[NH+]=C(N[C@H](C)c1ccccc1)N[C@H]1CC1(C)C ZINC000262947451 135324961 /nfs/dbraw/zinc/32/49/61/135324961.db2.gz AZAMGMKVZOEYGP-YPMHNXCESA-N 1 0 245.370 2.711 10 30 BFEERO [NH2+]=C(Nc1ccccn1)N[C@H]1CCC12CCCC2 ZINC000263264650 135343763 /nfs/dbraw/zinc/34/37/63/135343763.db2.gz NCTZUBXULGFZII-NSHDSACASA-N 1 0 244.342 2.531 10 30 BFEERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C#N)O1 ZINC000595693580 397994940 /nfs/dbraw/zinc/99/49/40/397994940.db2.gz IYRXXEHDWVFFRT-JHJVBQTASA-N 1 0 236.359 2.616 10 30 BFEERO C#CC[NH2+]C[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000053586049 166187727 /nfs/dbraw/zinc/18/77/27/166187727.db2.gz VMIJDAUDMVWTIQ-CYBMUJFWSA-N 1 0 231.339 2.602 10 30 BFEERO C#CC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000019875705 166192441 /nfs/dbraw/zinc/19/24/41/166192441.db2.gz NHLWILQYEWBCHP-SECBINFHSA-N 1 0 243.228 2.869 10 30 BFEERO C#CC[NH2+][C@H](C)c1cc2cccc(OC)c2o1 ZINC000020084790 166192516 /nfs/dbraw/zinc/19/25/16/166192516.db2.gz DEVVXWZROCXMGX-SNVBAGLBSA-N 1 0 229.279 2.725 10 30 BFEERO C#CC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000019875571 166192569 /nfs/dbraw/zinc/19/25/69/166192569.db2.gz CRTDCHIXYFOYGH-CYBMUJFWSA-N 1 0 201.313 2.896 10 30 BFEERO C#CCOc1ccccc1C[NH2+]C(C)(C)CC ZINC000020085453 166199862 /nfs/dbraw/zinc/19/98/62/166199862.db2.gz FWRVPSVRFWGKLW-UHFFFAOYSA-N 1 0 231.339 2.977 10 30 BFEERO C(#Cc1ccccc1)COCC[C@@H]1CCCC[NH2+]1 ZINC000051862303 166226103 /nfs/dbraw/zinc/22/61/03/166226103.db2.gz LEEMIECGTDXMQN-INIZCTEOSA-N 1 0 243.350 2.587 10 30 BFEERO C=CCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273150401 166266379 /nfs/dbraw/zinc/26/63/79/166266379.db2.gz WXJLFLZPDOFBDX-GFCCVEGCSA-N 1 0 225.719 2.539 10 30 BFEERO C=CCN(CC=C)[C@H](C[NH2+]C)c1ccccc1 ZINC000052376737 166336889 /nfs/dbraw/zinc/33/68/89/166336889.db2.gz WFDSCACPFVKQSK-OAHLLOKOSA-N 1 0 230.355 2.621 10 30 BFEERO C=CCN1c2ccc(Cl)cc2N2CCC[NH+]=C12 ZINC000005283073 166353543 /nfs/dbraw/zinc/35/35/43/166353543.db2.gz ITSMJWDDRNVFQQ-UHFFFAOYSA-N 1 0 247.729 2.912 10 30 BFEERO C=CC[NH2+]CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000095081955 166398934 /nfs/dbraw/zinc/39/89/34/166398934.db2.gz BDWKFFSGYHCLPW-GFCCVEGCSA-N 1 0 246.354 2.914 10 30 BFEERO C=CC[NH2+]CCC(=O)c1ccc(Cl)cc1 ZINC000049819531 166399384 /nfs/dbraw/zinc/39/93/84/166399384.db2.gz DALIRLLWRAGKPL-UHFFFAOYSA-N 1 0 223.703 2.688 10 30 BFEERO C=CC[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000037185044 166404394 /nfs/dbraw/zinc/40/43/94/166404394.db2.gz HLIPBXWCXOZQQR-NSHDSACASA-N 1 0 204.317 2.843 10 30 BFEERO C=CC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000019876013 166406339 /nfs/dbraw/zinc/40/63/39/166406339.db2.gz WEGGLPBKKWCJPH-CQSZACIVSA-N 1 0 217.312 2.848 10 30 BFEERO CC(C)c1ccc(C2(C#N)CC[NH2+]CC2)cc1 ZINC000071533726 167592584 /nfs/dbraw/zinc/59/25/84/167592584.db2.gz VTCRMLXBDUBWSG-UHFFFAOYSA-N 1 0 228.339 2.955 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229255093 411190157 /nfs/dbraw/zinc/19/01/57/411190157.db2.gz PLUDIHOEEULVIV-STQMWFEESA-N 1 0 238.400 2.802 10 30 BFEERO CC1([NH2+][C@H]2CCCC[C@@H]2C#N)CCCC1 ZINC000054826290 168064577 /nfs/dbraw/zinc/06/45/77/168064577.db2.gz OXUDVJSQZJWYFS-NEPJUHHUSA-N 1 0 206.333 2.991 10 30 BFEERO CC1CCC([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000054823845 168163715 /nfs/dbraw/zinc/16/37/15/168163715.db2.gz ITRWESVBKZPRRH-PYNQCMFNSA-N 1 0 206.333 2.847 10 30 BFEERO CC(C)[N@@H+]1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616687263 411414514 /nfs/dbraw/zinc/41/45/14/411414514.db2.gz RAIWIXQGBUKGFM-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO CC[NH2+][C@@H](C)c1ccc(C#N)cc1Cl ZINC000159742217 170142253 /nfs/dbraw/zinc/14/22/53/170142253.db2.gz MNKURJNNFSYMFM-QMMMGPOBSA-N 1 0 208.692 2.882 10 30 BFEERO CC[NH2+][C@H](C)c1ccc(N(C)CCC#N)cc1 ZINC000034840062 170158984 /nfs/dbraw/zinc/15/89/84/170158984.db2.gz FMWZFEQLIGZQKJ-GFCCVEGCSA-N 1 0 231.343 2.707 10 30 BFEERO CC[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)C#N)cc1 ZINC000042455649 170159254 /nfs/dbraw/zinc/15/92/54/170159254.db2.gz UKGXSVZUQYJCLH-QWHCGFSZSA-N 1 0 245.370 2.953 10 30 BFEERO CC[NH2+][C@H](C)c1ccccc1N(C)C[C@@H](C)C#N ZINC000042455681 170160114 /nfs/dbraw/zinc/16/01/14/170160114.db2.gz XBQPPXOEBLLHJH-QWHCGFSZSA-N 1 0 245.370 2.953 10 30 BFEERO CCN[C@](C)(C#N)CCC[N@@H+]1CCCC1(C)C ZINC000063072547 170169409 /nfs/dbraw/zinc/16/94/09/170169409.db2.gz GCLJTNXSYJRWNJ-AWEZNQCLSA-N 1 0 237.391 2.533 10 30 BFEERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@H](C#N)CC ZINC000071412147 170659936 /nfs/dbraw/zinc/65/99/36/170659936.db2.gz BPOLNQYIJSZKPL-KGLIPLIRSA-N 1 0 246.354 2.956 10 30 BFEERO CC[C@H](C)C[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049617909 171274298 /nfs/dbraw/zinc/27/42/98/171274298.db2.gz YSWAALPLLLDVPV-AWEZNQCLSA-N 1 0 245.366 2.508 10 30 BFEERO CC[C@H](C)N[C@](C)(C#N)CCc1ccc(O)cc1 ZINC000038064663 171348607 /nfs/dbraw/zinc/34/86/07/171348607.db2.gz MQGZVFXRGQUDOJ-WFASDCNBSA-N 1 0 246.354 2.995 10 30 BFEERO C[N@@H+]1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000075907072 173009615 /nfs/dbraw/zinc/00/96/15/173009615.db2.gz GSHLTUNMOVRHPU-ZDUSSCGKSA-N 1 0 200.285 2.715 10 30 BFEERO C[NH2+][C@H](C)c1c(F)cccc1N(C)C[C@@H](C)C#N ZINC000042455661 173448357 /nfs/dbraw/zinc/44/83/57/173448357.db2.gz WUXBSAMFTHKXTK-WDEREUQCSA-N 1 0 249.333 2.702 10 30 BFEERO C[NH2+][C@H](C)c1ccc(N(C)C[C@H](C)C#N)cc1 ZINC000042455644 173448722 /nfs/dbraw/zinc/44/87/22/173448722.db2.gz OWEINDVHXDKUEI-VXGBXAGGSA-N 1 0 231.343 2.563 10 30 BFEERO C[C@@H]1CCC[N@H+](CCCC[C@](C)(N)C#N)CC1 ZINC000104347583 176098607 /nfs/dbraw/zinc/09/86/07/176098607.db2.gz LSQSUCYJTFUHHH-KGLIPLIRSA-N 1 0 237.391 2.520 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000052273598 176906215 /nfs/dbraw/zinc/90/62/15/176906215.db2.gz MJPDBYHMOYBHSZ-COPLHBTASA-N 1 0 230.311 2.648 10 30 BFEERO CC(C)(C)OCCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000595702979 487876561 /nfs/dbraw/zinc/87/65/61/487876561.db2.gz ZKGJEEQDWMFHOP-QWHCGFSZSA-N 1 0 238.375 2.864 10 30 BFEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000120455096 323158241 /nfs/dbraw/zinc/15/82/41/323158241.db2.gz PKAIGNUFPNVRBG-TYNCELHUSA-N 1 0 229.323 2.758 10 30 BFEERO C=CCCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000129810880 490171133 /nfs/dbraw/zinc/17/11/33/490171133.db2.gz WRRTWADDZSTHSE-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253090216 534385014 /nfs/dbraw/zinc/38/50/14/534385014.db2.gz HTHUGDULDCYXHZ-RRFJBIMHSA-N 1 0 237.387 2.968 10 30 BFEERO C=CC[C@H](CO)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309092253 534401196 /nfs/dbraw/zinc/40/11/96/534401196.db2.gz CMZYXCUUWWKJGT-RYUDHWBXSA-N 1 0 213.365 2.585 10 30 BFEERO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095028 534436400 /nfs/dbraw/zinc/43/64/00/534436400.db2.gz OHQVOQFBVRAUKQ-UPJWGTAASA-N 1 0 243.778 2.754 10 30 BFEERO CCCCCCCCC(=O)NCCCCC[NH3+] ZINC000115061937 519972784 /nfs/dbraw/zinc/97/27/84/519972784.db2.gz BYZXGQCPQBTEAK-UHFFFAOYSA-N 1 0 242.407 2.982 10 30 BFEERO C=CC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000121212490 534817364 /nfs/dbraw/zinc/81/73/64/534817364.db2.gz FXNJKNXSXSTDOX-CHWSQXEVSA-N 1 0 223.360 2.842 10 30 BFEERO C=CCOCCC[NH2+][C@@H](CC)C(C)(C)C ZINC000308906276 526760378 /nfs/dbraw/zinc/76/03/78/526760378.db2.gz COLGDSCLCGSHTD-LBPRGKRZSA-N 1 0 213.365 2.993 10 30 BFEERO CC[NH+]=C(N[C@H](C)c1ccc(C)o1)NC1CCC1 ZINC000262808705 535265521 /nfs/dbraw/zinc/26/55/21/535265521.db2.gz ULNKQKMENFAMKF-LLVKDONJSA-N 1 0 249.358 2.757 10 30 BFEERO N#Cc1cc(C[NH2+]Cc2ccccc2)cs1 ZINC000669381475 566427314 /nfs/dbraw/zinc/42/73/14/566427314.db2.gz KRESCAHKPSUUQP-UHFFFAOYSA-N 1 0 228.320 2.910 10 30 BFEERO C=CC[NH2+]CCSCc1occc1C ZINC000757167737 582548412 /nfs/dbraw/zinc/54/84/12/582548412.db2.gz XQWYEVJZYHHSDN-UHFFFAOYSA-N 1 0 211.330 2.597 10 30 BFEERO C#CC[NH2+]C[C@H](C)SCc1ccc(Cl)o1 ZINC000757171519 582551258 /nfs/dbraw/zinc/55/12/58/582551258.db2.gz UPFOSKVEPRGPGU-VIFPVBQESA-N 1 0 243.759 2.778 10 30 BFEERO C=C(C[NH3+])CSCc1ccc(Cl)o1 ZINC000757172755 582552085 /nfs/dbraw/zinc/55/20/85/582552085.db2.gz ZLQYNNJMOAHCIA-UHFFFAOYSA-N 1 0 217.721 2.681 10 30 BFEERO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@H](C)O ZINC000309055629 631834362 /nfs/dbraw/zinc/83/43/62/631834362.db2.gz UFSRYAVLWFZVOJ-XQQFMLRXSA-N 1 0 213.365 2.870 10 30 BFEERO CCCCCCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000108640366 632094941 /nfs/dbraw/zinc/09/49/41/632094941.db2.gz DYPMSLQPIZHYLK-OLZOCXBDSA-N 1 0 240.391 2.591 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825281 640410276 /nfs/dbraw/zinc/41/02/76/640410276.db2.gz AKPHTFGARVYMBC-TZMCWYRMSA-N 1 0 232.302 2.650 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825282 640410866 /nfs/dbraw/zinc/41/08/66/640410866.db2.gz AKPHTFGARVYMBC-OCCSQVGLSA-N 1 0 232.302 2.650 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCCC1CC1 ZINC000156978481 640520531 /nfs/dbraw/zinc/52/05/31/640520531.db2.gz SCQUAXVMPOSEHU-CHWSQXEVSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000228414437 640874262 /nfs/dbraw/zinc/87/42/62/640874262.db2.gz WAMYGQWSFXJRNY-DGCLKSJQSA-N 1 0 230.311 2.564 10 30 BFEERO CC(=O)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087598882 640939891 /nfs/dbraw/zinc/93/98/91/640939891.db2.gz YIIWLWAFIGUFHT-ZDUSSCGKSA-N 1 0 236.359 2.617 10 30 BFEERO C#CCC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000069625567 642883942 /nfs/dbraw/zinc/88/39/42/642883942.db2.gz HOCZHDXXCPLJPM-UHFFFAOYSA-N 1 0 201.313 2.923 10 30 BFEERO C#CCC[NH2+]CC(C)(C)c1ccccc1 ZINC000082496934 643326500 /nfs/dbraw/zinc/32/65/00/643326500.db2.gz YQBXYZWAKLUAPJ-UHFFFAOYSA-N 1 0 201.313 2.577 10 30 BFEERO CCC[C@H]1C[C@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092278451 644651921 /nfs/dbraw/zinc/65/19/21/644651921.db2.gz MQBZYPMEKOSFPT-WCQYABFASA-N 1 0 237.391 2.802 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)c(F)c1 ZINC000334229927 711502666 /nfs/dbraw/zinc/50/26/66/711502666.db2.gz JAGUIZRMBIBRGY-TZMCWYRMSA-N 1 0 230.286 2.682 10 30 BFEERO C=C/C=C/CC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000713501812 712463361 /nfs/dbraw/zinc/46/33/61/712463361.db2.gz LZVLHYJKNKXJRW-CDJBXZAQSA-N 1 0 204.317 2.791 10 30 BFEERO COCC1CC([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000713981581 712476128 /nfs/dbraw/zinc/47/61/28/712476128.db2.gz UGIFMCIITKVHAF-ZOODHJKOSA-N 1 0 244.338 2.634 10 30 BFEERO C=CC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000715027512 712504889 /nfs/dbraw/zinc/50/48/89/712504889.db2.gz CQLIOGFCTAYBCW-MJBXVCDLSA-N 1 0 223.360 2.578 10 30 BFEERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000380174759 712705837 /nfs/dbraw/zinc/70/58/37/712705837.db2.gz FGFWZZLSSRYYED-VOAKCMCISA-N 1 0 206.333 2.703 10 30 BFEERO C=C(C)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685959280 538906962 /nfs/dbraw/zinc/90/69/62/538906962.db2.gz QDPKKWDPVWCJMT-UHFFFAOYSA-N 1 0 217.312 2.702 10 30 BFEERO C=C(CC)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685960509 538907783 /nfs/dbraw/zinc/90/77/83/538907783.db2.gz ODBCKBOHZWUBDF-UHFFFAOYSA-N 1 0 217.312 2.702 10 30 BFEERO Cc1cc(C[C@H](C)[NH3+])cc(C)c1OCCCC#N ZINC000037723269 178057240 /nfs/dbraw/zinc/05/72/40/178057240.db2.gz OLWHMNNIMJJMQS-ZDUSSCGKSA-N 1 0 246.354 2.876 10 30 BFEERO Cc1cc([C@H](C)O)cc(C)c1/[NH+]=C/N(C)C ZINC000100802627 178259211 /nfs/dbraw/zinc/25/92/11/178259211.db2.gz DNUSGNNAOQQCRW-KYJZABPNSA-N 1 0 220.316 2.578 10 30 BFEERO Cc1ccc(C#N)c(NCCC[NH+]2CCCC2)c1 ZINC000062075811 178364083 /nfs/dbraw/zinc/36/40/83/178364083.db2.gz UGSNNDBSMLEMQG-UHFFFAOYSA-N 1 0 243.354 2.765 10 30 BFEERO Cc1ccc(C#N)c(NCC[N@@H+](C)C(C)C)c1 ZINC000054128141 178364807 /nfs/dbraw/zinc/36/48/07/178364807.db2.gz UVWDYXXLVJHPGE-UHFFFAOYSA-N 1 0 231.343 2.619 10 30 BFEERO CC(C)[N@@H+]1CC[C@@H](c2ccccc2C#N)C1 ZINC000616613244 349607750 /nfs/dbraw/zinc/60/77/50/349607750.db2.gz RBMKPDFLFGEBKW-CYBMUJFWSA-N 1 0 214.312 2.756 10 30 BFEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000320465587 342734073 /nfs/dbraw/zinc/73/40/73/342734073.db2.gz FDVQPUBOBPIYGF-BDAKNGLRSA-N 1 0 237.734 2.749 10 30 BFEERO C=CCC[C@H](CC)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000381564258 539003877 /nfs/dbraw/zinc/00/38/77/539003877.db2.gz SNHRVNXVFBDSFN-MELADBBJSA-N 1 0 224.392 2.661 10 30 BFEERO C#C[C@@H]([NH3+])c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000406852594 342878855 /nfs/dbraw/zinc/87/88/55/342878855.db2.gz CEOZNGGXPZBQNW-GFCCVEGCSA-N 1 0 246.310 2.667 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C#N)cc1F ZINC000134740078 342880821 /nfs/dbraw/zinc/88/08/21/342880821.db2.gz TZCFIQROXMZOOW-MWODSPESSA-N 1 0 218.275 2.756 10 30 BFEERO C=CC[N@H+]1CC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000116482086 342927178 /nfs/dbraw/zinc/92/71/78/342927178.db2.gz FWBNLHMKQSJLFM-LBPRGKRZSA-N 1 0 232.283 2.570 10 30 BFEERO C=C(C)CN(CC)C[C@H]1Cc2ccccc2C[NH2+]1 ZINC000020074223 187206330 /nfs/dbraw/zinc/20/63/30/187206330.db2.gz VLECNVXAIDDHFF-MRXNPFEDSA-N 1 0 244.382 2.599 10 30 BFEERO C=C(C)C[N@@H+](CC)Cc1ccc(N)c(C)c1 ZINC000020074214 187206378 /nfs/dbraw/zinc/20/63/78/187206378.db2.gz YXDIXHBVQWBICB-UHFFFAOYSA-N 1 0 218.344 2.975 10 30 BFEERO C=CC(C)(C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000527927936 262895821 /nfs/dbraw/zinc/89/58/21/262895821.db2.gz SAKDZCUTAZFNTL-UPJWGTAASA-N 1 0 237.387 2.992 10 30 BFEERO C=CCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000117874623 358452179 /nfs/dbraw/zinc/45/21/79/358452179.db2.gz RFRMDIMTZMUTDO-QWHCGFSZSA-N 1 0 209.333 2.596 10 30 BFEERO CC(=O)Nc1cccc([C@H](C)N[C@@H](C)CC#N)c1 ZINC000037900885 187230253 /nfs/dbraw/zinc/23/02/53/187230253.db2.gz FFEBUEUJDMHHMT-QWRGUYRKSA-N 1 0 245.326 2.598 10 30 BFEERO C#CCOc1cccc(C[NH2+]C2CCCC2)c1 ZINC000045945623 187232994 /nfs/dbraw/zinc/23/29/94/187232994.db2.gz MWSFHQRZCGEIIK-UHFFFAOYSA-N 1 0 229.323 2.731 10 30 BFEERO C#CC[NH2+]Cc1ccc2ccsc2c1 ZINC000089195378 187243701 /nfs/dbraw/zinc/24/37/01/187243701.db2.gz YAVUQEMHWCCSGG-UHFFFAOYSA-N 1 0 201.294 2.624 10 30 BFEERO C=CCCC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C12CCC2 ZINC000336767092 136276084 /nfs/dbraw/zinc/27/60/84/136276084.db2.gz PKABRXGMNPVZGP-YNEHKIRRSA-N 1 0 223.360 2.746 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1C[C@@H]1C ZINC000321870079 343620605 /nfs/dbraw/zinc/62/06/05/343620605.db2.gz HDRSBVHPYJRVSS-CKIKVBCHSA-N 1 0 206.333 2.703 10 30 BFEERO CC(C)NC(=[NH2+])c1ccc(Br)cc1 ZINC000059924660 343714149 /nfs/dbraw/zinc/71/41/49/343714149.db2.gz MHAGCPHPFKMWKB-UHFFFAOYSA-N 1 0 241.132 2.563 10 30 BFEERO CCC(=[NH2+])Nc1ccc(F)c(F)c1F ZINC000062988696 343746826 /nfs/dbraw/zinc/74/68/26/343746826.db2.gz RIXGYOZVCULEKB-UHFFFAOYSA-N 1 0 202.179 2.503 10 30 BFEERO C[C@H]1CCC[N@@H+]1CC1(C=O)CCCCC1 ZINC000051174967 346974123 /nfs/dbraw/zinc/97/41/23/346974123.db2.gz VBSDPJXROJXDTD-LBPRGKRZSA-N 1 0 209.333 2.620 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1cccnc1Br ZINC000306896683 343889620 /nfs/dbraw/zinc/88/96/20/343889620.db2.gz QJOJJRWANYZPOE-SECBINFHSA-N 1 0 241.132 2.810 10 30 BFEERO CC(C)C[C@@H](C)OCc1ccccc1C#CC[NH3+] ZINC000049610805 187357556 /nfs/dbraw/zinc/35/75/56/187357556.db2.gz KSRQWDAFDBKKGW-CQSZACIVSA-N 1 0 245.366 2.948 10 30 BFEERO C=C(C)CN(CC)[C@H](C[NH2+]C)c1ccccc1 ZINC000052423593 187358734 /nfs/dbraw/zinc/35/87/34/187358734.db2.gz IWOMJADIWVIIKU-OAHLLOKOSA-N 1 0 232.371 2.845 10 30 BFEERO C=CCn1cc(CC[NH2+]C)c2ccccc21 ZINC000070631119 187358781 /nfs/dbraw/zinc/35/87/81/187358781.db2.gz NLUJMYYJDGCCCO-UHFFFAOYSA-N 1 0 214.312 2.589 10 30 BFEERO C=C(CC)CN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000313535290 344099284 /nfs/dbraw/zinc/09/92/84/344099284.db2.gz LKLVKJHXJFPKML-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(CC)CN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000313535887 344099965 /nfs/dbraw/zinc/09/99/65/344099965.db2.gz LKLVKJHXJFPKML-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C=CC[NH2+]C[C@@H](C)Oc1cccc2cccnc21 ZINC000053585707 187358257 /nfs/dbraw/zinc/35/82/57/187358257.db2.gz JRIKNCVEZQOODJ-GFCCVEGCSA-N 1 0 242.322 2.778 10 30 BFEERO CC(C)(C)[NH2+]CCCON=C(C1CC1)C1CC1 ZINC000028010861 344324895 /nfs/dbraw/zinc/32/48/95/344324895.db2.gz PTCDWXYOVBUXJK-UHFFFAOYSA-N 1 0 238.375 2.957 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000054823886 344457717 /nfs/dbraw/zinc/45/77/17/344457717.db2.gz VYDZXHAKFVPBTB-GJZGRUSLSA-N 1 0 228.339 2.901 10 30 BFEERO C[C@H](Cc1ccsc1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054826584 344471894 /nfs/dbraw/zinc/47/18/94/344471894.db2.gz XHDIPZNAPHSYQI-RAIGVLPGSA-N 1 0 234.368 2.961 10 30 BFEERO CSC1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CCC1 ZINC000235115610 344800817 /nfs/dbraw/zinc/80/08/17/344800817.db2.gz MLNOWQKVZSJZAG-NEPJUHHUSA-N 1 0 238.400 2.944 10 30 BFEERO C[C@@H](C(=O)C1=CCCCCCC1)[C@H](C)[NH3+] ZINC000235479187 344923031 /nfs/dbraw/zinc/92/30/31/344923031.db2.gz RRCHWERVTHVQPH-MNOVXSKESA-N 1 0 209.333 2.819 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@]12CCOC2 ZINC000375325637 534982509 /nfs/dbraw/zinc/98/25/09/534982509.db2.gz GMWGBOIRNNOLKA-CQSZACIVSA-N 1 0 236.359 2.571 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000155333202 345078073 /nfs/dbraw/zinc/07/80/73/345078073.db2.gz DNVZNLJPWFNVID-LBPRGKRZSA-N 1 0 234.368 2.736 10 30 BFEERO C=CC[NH2+]C[C@@H](C)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000053492319 187306050 /nfs/dbraw/zinc/30/60/50/187306050.db2.gz DVMFLPHVJMSADH-QLFBSQMISA-N 1 0 236.403 2.663 10 30 BFEERO C=CCCC[C@H](C)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000091622042 345600929 /nfs/dbraw/zinc/60/09/29/345600929.db2.gz XWICOODBAKOHII-LSDHHAIUSA-N 1 0 236.403 2.901 10 30 BFEERO C[C@H]([NH3+])C#Cc1cccc(Cl)c1Cl ZINC000166983615 346176574 /nfs/dbraw/zinc/17/65/74/346176574.db2.gz MWRFBUBFXHMPGE-ZETCQYMHSA-N 1 0 214.095 2.692 10 30 BFEERO O=C(C1=CCCCCC1)[C@@H]1CCCC[NH2+]1 ZINC000236408978 346236654 /nfs/dbraw/zinc/23/66/54/346236654.db2.gz LEEPIXIJLOAFJA-LBPRGKRZSA-N 1 0 207.317 2.588 10 30 BFEERO O/[N+](=C\c1ccncc1)Cc1cccc(Cl)c1 ZINC000225441967 370653222 /nfs/dbraw/zinc/65/32/22/370653222.db2.gz XCEMSBBSBHYAMW-SXGWCWSVSA-N 1 0 247.705 2.756 10 30 BFEERO COc1ccc(C/[N+](O)=C/c2ccccc2)cc1 ZINC000225442588 370654209 /nfs/dbraw/zinc/65/42/09/370654209.db2.gz XOIIYRDCKPCEEN-WJDWOHSUSA-N 1 0 242.298 2.716 10 30 BFEERO Cc1cccc([C@@H](C[NH3+])N(CCC#N)C(C)C)c1 ZINC000042967557 179184292 /nfs/dbraw/zinc/18/42/92/179184292.db2.gz SNJUTABUAICRJY-OAHLLOKOSA-N 1 0 245.370 2.619 10 30 BFEERO Cc1cccc2c1[C@H]([C@@H](C)S)[NH2+]CC2 ZINC000075640749 179224130 /nfs/dbraw/zinc/22/41/30/179224130.db2.gz MNTOHAMTODEWJP-SKDRFNHKSA-N 1 0 207.342 2.500 10 30 BFEERO Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000054825572 179284815 /nfs/dbraw/zinc/28/48/15/179284815.db2.gz QCQLXRWDJHNSBD-JSGCOSHPSA-N 1 0 214.312 2.777 10 30 BFEERO N#Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)ccc1F ZINC000592182796 347760172 /nfs/dbraw/zinc/76/01/72/347760172.db2.gz VLCBJOYFRNJNHD-NJZAAPMLSA-N 1 0 244.313 2.976 10 30 BFEERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)C#N ZINC000042207174 179337271 /nfs/dbraw/zinc/33/72/71/179337271.db2.gz ZWSCVOSYJDBUQN-PWSUYJOCSA-N 1 0 202.301 2.805 10 30 BFEERO Cc1ccccc1[C@H](C[NH3+])N(CCC#N)C(C)C ZINC000043037242 179342678 /nfs/dbraw/zinc/34/26/78/179342678.db2.gz PHUVMHNBOLVYBA-HNNXBMFYSA-N 1 0 245.370 2.619 10 30 BFEERO C[C@@]1(C#N)CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000595841348 348376309 /nfs/dbraw/zinc/37/63/09/348376309.db2.gz KMIVYQVOMNIQQM-ZFWWWQNUSA-N 1 0 226.323 2.562 10 30 BFEERO CCOC1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000597084107 348655056 /nfs/dbraw/zinc/65/50/56/348655056.db2.gz XECLBUZVDIWOOB-RYSNWHEDSA-N 1 0 236.359 2.616 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000597195732 348672472 /nfs/dbraw/zinc/67/24/72/348672472.db2.gz NREBAJPDJMZTAH-PDWCTOEPSA-N 1 0 218.344 2.847 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000597195430 348672479 /nfs/dbraw/zinc/67/24/79/348672479.db2.gz IDJBVOPKYILKDM-YPMHNXCESA-N 1 0 218.344 2.991 10 30 BFEERO COC1CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000597196280 348673262 /nfs/dbraw/zinc/67/32/62/348673262.db2.gz CNFBKYPDZLTXAE-RYSNWHEDSA-N 1 0 236.359 2.616 10 30 BFEERO CC#CC[C@@H]([NH3+])c1ccccc1Br ZINC000051665799 350022712 /nfs/dbraw/zinc/02/27/12/350022712.db2.gz SKWUKOQYOWKYLS-LLVKDONJSA-N 1 0 238.128 2.862 10 30 BFEERO CC1(C#N)CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000226318519 350418450 /nfs/dbraw/zinc/41/84/50/350418450.db2.gz ZFYWPBIVQZZZLG-CQSZACIVSA-N 1 0 240.350 2.952 10 30 BFEERO CCCCCCCC(=O)N[C@H]1CCCC[C@@H]1[NH3+] ZINC000103808024 168647256 /nfs/dbraw/zinc/64/72/56/168647256.db2.gz FTFLRXZJFABLLI-STQMWFEESA-N 1 0 240.391 2.733 10 30 BFEERO CC[N@@H+]1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616607566 350801122 /nfs/dbraw/zinc/80/11/22/350801122.db2.gz VKHMRXAWAICYDO-CYBMUJFWSA-N 1 0 200.285 2.715 10 30 BFEERO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000336740565 191127712 /nfs/dbraw/zinc/12/77/12/191127712.db2.gz MKVPGYCUSUVQCR-KXUCPTDWSA-N 1 0 234.265 2.999 10 30 BFEERO C=CCCC[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000398103603 351006063 /nfs/dbraw/zinc/00/60/63/351006063.db2.gz UOJWIGYFQMRCBD-NEPJUHHUSA-N 1 0 213.365 2.728 10 30 BFEERO CCCCCCCCOC[C@@H]1CC[C@H](C[NH3+])O1 ZINC000103595411 168654502 /nfs/dbraw/zinc/65/45/02/168654502.db2.gz BVWFRNITWSEVCN-KGLIPLIRSA-N 1 0 243.391 2.870 10 30 BFEERO C=CCCOCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336721592 351152873 /nfs/dbraw/zinc/15/28/73/351152873.db2.gz ZXJLFFZGUKIDQI-QWHCGFSZSA-N 1 0 229.339 2.697 10 30 BFEERO C=C(Cl)Cn1ccc2c1CCC[C@H]2[NH3+] ZINC000168074662 351286354 /nfs/dbraw/zinc/28/63/54/351286354.db2.gz RNMSABYHLNCYAQ-SNVBAGLBSA-N 1 0 210.708 2.577 10 30 BFEERO CC(C)[C@@H]([NH3+])CCN(C)c1cccc(F)c1C#N ZINC000133596464 351359821 /nfs/dbraw/zinc/35/98/21/351359821.db2.gz VDYCSRIRTSCSOQ-ZDUSSCGKSA-N 1 0 249.333 2.507 10 30 BFEERO CCCCCCC[C@H](C#N)N1CCC[NH2+]CC1 ZINC000103071145 168658243 /nfs/dbraw/zinc/65/82/43/168658243.db2.gz RWEOXJSUDVXQBE-CQSZACIVSA-N 1 0 237.391 2.534 10 30 BFEERO CC(C)[C@H]([NH3+])C#Cc1sccc1Cl ZINC000300871151 363090714 /nfs/dbraw/zinc/09/07/14/363090714.db2.gz HPBYBVBEVLQBHA-SECBINFHSA-N 1 0 213.733 2.736 10 30 BFEERO C=CCOc1ccc([C@H](C)[NH3+])cc1Cl ZINC000041225966 187630853 /nfs/dbraw/zinc/63/08/53/187630853.db2.gz ZAJVWAZNCUGRAX-QMMMGPOBSA-N 1 0 211.692 2.925 10 30 BFEERO CCCC[C@@H](C[NH3+])Nc1cccc(F)c1C#N ZINC000130536040 363183813 /nfs/dbraw/zinc/18/38/13/363183813.db2.gz FZYNSMDATLFUDY-JTQLQIEISA-N 1 0 235.306 2.627 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c(F)c1 ZINC000334229922 352847824 /nfs/dbraw/zinc/84/78/24/352847824.db2.gz JAGUIZRMBIBRGY-GXTWGEPZSA-N 1 0 230.286 2.682 10 30 BFEERO N#Cc1cc([C@@H]2CCCC[NH2+]2)ccc1F ZINC000075869393 187941320 /nfs/dbraw/zinc/94/13/20/187941320.db2.gz WDFOUJWOCNKQEJ-LBPRGKRZSA-N 1 0 204.248 2.512 10 30 BFEERO C=C(C)C[NH2+][C@@H]1CCOc2ccccc21 ZINC000049855351 188046455 /nfs/dbraw/zinc/04/64/55/188046455.db2.gz KRQRJXYLBDFFFL-GFCCVEGCSA-N 1 0 203.285 2.676 10 30 BFEERO C=C(C)CN(CC)c1ccnc(C[NH2+]CC)c1 ZINC000051437060 188046499 /nfs/dbraw/zinc/04/64/99/188046499.db2.gz RQXYIRXNVMMRLZ-UHFFFAOYSA-N 1 0 233.359 2.594 10 30 BFEERO C=CC[NH2+]C[C@@H](C)Oc1ccccc1OCC ZINC000053565025 188046690 /nfs/dbraw/zinc/04/66/90/188046690.db2.gz QCCTULXTXPYIMK-GFCCVEGCSA-N 1 0 235.327 2.628 10 30 BFEERO C=C[C@H](C)Oc1cc(OC)ccc1C[NH2+]C1CC1 ZINC000052141791 188046982 /nfs/dbraw/zinc/04/69/82/188046982.db2.gz QJCKYOARGPCKSW-NSHDSACASA-N 1 0 247.338 2.901 10 30 BFEERO C=CC[C@@H]1CC=C[C@@H](C)[N@H+]1Cc1[nH]cnc1C ZINC000065535386 188051189 /nfs/dbraw/zinc/05/11/89/188051189.db2.gz FJEZJIKQXNPQGQ-DGCLKSJQSA-N 1 0 231.343 2.813 10 30 BFEERO C#CC[C@H]([NH3+])c1cc(Br)cs1 ZINC000070598996 353259965 /nfs/dbraw/zinc/25/99/65/353259965.db2.gz LDFOIDIFKMVMKM-ZETCQYMHSA-N 1 0 230.130 2.534 10 30 BFEERO C=C[C@]1(O)CC[N@@H+](CCC)[C@@H]2CCCC[C@H]21 ZINC000256002900 188258461 /nfs/dbraw/zinc/25/84/61/188258461.db2.gz SZZSWHVOQAQEAZ-MCIONIFRSA-N 1 0 223.360 2.578 10 30 BFEERO C#CC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000019875348 188242961 /nfs/dbraw/zinc/24/29/61/188242961.db2.gz KCBNAOOOXRABQX-UHFFFAOYSA-N 1 0 214.095 2.716 10 30 BFEERO CCc1ccc(C(=O)/C=C\[n+]2ccccc2)cc1 ZINC000033373993 188284107 /nfs/dbraw/zinc/28/41/07/188284107.db2.gz ONEPPQANKMFCPU-RAXLEYEMSA-N 1 0 238.310 2.890 10 30 BFEERO C=C(C)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000253159493 353316903 /nfs/dbraw/zinc/31/69/03/353316903.db2.gz RXHQZTDQFNDDFN-KBPBESRZSA-N 1 0 223.360 2.580 10 30 BFEERO C=C(C)COc1ccc(C[C@@H]([NH3+])CC)cc1OC ZINC000037727268 188325863 /nfs/dbraw/zinc/32/58/63/188325863.db2.gz ZAHJKGBDRNJOAV-ZDUSSCGKSA-N 1 0 249.354 2.930 10 30 BFEERO C#C[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000130239206 353345432 /nfs/dbraw/zinc/34/54/32/353345432.db2.gz WIXFYRYHRFSIIX-SECBINFHSA-N 1 0 200.068 2.626 10 30 BFEERO C=C(C)COc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745554 188361284 /nfs/dbraw/zinc/36/12/84/188361284.db2.gz AEFJKVKLWBPJBL-VIFPVBQESA-N 1 0 209.264 2.800 10 30 BFEERO N#C[C@H]1CCCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000054825553 181067465 /nfs/dbraw/zinc/06/74/65/181067465.db2.gz GBDWSBFTRGPPRU-HUUCEWRRSA-N 1 0 243.354 2.686 10 30 BFEERO N#C[C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000054827388 181067590 /nfs/dbraw/zinc/06/75/90/181067590.db2.gz RVEPEQFURKOCMJ-HZSPNIEDSA-N 1 0 236.359 2.618 10 30 BFEERO N#C[C@H]1CCCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000054823803 181067641 /nfs/dbraw/zinc/06/76/41/181067641.db2.gz MAGUQQSBZBHXCL-UKRRQHHQSA-N 1 0 243.354 2.686 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000054823155 181070182 /nfs/dbraw/zinc/07/01/82/181070182.db2.gz ZZLZONMNIKXXBP-TZMCWYRMSA-N 1 0 232.302 2.650 10 30 BFEERO N#Cc1c(F)cccc1Oc1ccc(C[NH3+])cc1 ZINC000075881705 181077412 /nfs/dbraw/zinc/07/74/12/181077412.db2.gz YXVIYQDEJKHPIS-UHFFFAOYSA-N 1 0 242.253 2.948 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1F ZINC000336310332 181105538 /nfs/dbraw/zinc/10/55/38/181105538.db2.gz FJCODTQGBZCDNQ-GXTWGEPZSA-N 1 0 230.286 2.682 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000335578789 181111886 /nfs/dbraw/zinc/11/18/86/181111886.db2.gz HFPVFSMZFXVEIX-BXKDBHETSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1ccc(OC[C@H]([NH3+])c2ccccc2)cc1 ZINC000104326748 181128371 /nfs/dbraw/zinc/12/83/71/181128371.db2.gz UVPXJJPVQRXZMP-HNNXBMFYSA-N 1 0 238.290 2.637 10 30 BFEERO N#Cc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000032188261 181131529 /nfs/dbraw/zinc/13/15/29/181131529.db2.gz DOYWXGCIGRFJEW-MRXNPFEDSA-N 1 0 234.302 2.793 10 30 BFEERO N#Cc1cccc(O[C@@H](C[NH3+])c2cccs2)c1 ZINC000043109951 181143110 /nfs/dbraw/zinc/14/31/10/181143110.db2.gz METROKMZZZWQHR-LBPRGKRZSA-N 1 0 244.319 2.699 10 30 BFEERO N#Cc1ccccc1NC[C@H]([NH3+])c1ccccc1 ZINC000062838508 181147686 /nfs/dbraw/zinc/14/76/86/181147686.db2.gz ABIANZDAOUNJKA-AWEZNQCLSA-N 1 0 237.306 2.670 10 30 BFEERO N#Cc1ccccc1Oc1ccccc1C[NH3+] ZINC000075881690 181150140 /nfs/dbraw/zinc/15/01/40/181150140.db2.gz GEFKEJXGQXGOGV-UHFFFAOYSA-N 1 0 224.263 2.809 10 30 BFEERO N#Cc1ccccc1Oc1ccc(C[NH3+])cc1 ZINC000075881703 181150234 /nfs/dbraw/zinc/15/02/34/181150234.db2.gz DFCBAHXNFXWVKO-UHFFFAOYSA-N 1 0 224.263 2.809 10 30 BFEERO CC#CCC[C@H]([NH3+])c1ccc(Cl)cn1 ZINC000161241041 363551081 /nfs/dbraw/zinc/55/10/81/363551081.db2.gz HEJJGLUOVFULMR-JTQLQIEISA-N 1 0 208.692 2.538 10 30 BFEERO C=CCCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000303080899 134158647 /nfs/dbraw/zinc/15/86/47/134158647.db2.gz JNMUTFHEUHFCKY-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000389723921 356930194 /nfs/dbraw/zinc/93/01/94/356930194.db2.gz JCEZOFMCMUOHKU-RNCFNFMXSA-N 1 0 249.745 2.622 10 30 BFEERO CNC(=[NH2+])SC[C@H]1CCC2(CCCCC2)O1 ZINC000191698939 357800053 /nfs/dbraw/zinc/80/00/53/357800053.db2.gz ZCIDQUBSNOAFPR-SNVBAGLBSA-N 1 0 242.388 2.546 10 30 BFEERO OC[P+](CO)(C1CCCC1)C1CCCC1 ZINC000584601802 358259406 /nfs/dbraw/zinc/25/94/06/358259406.db2.gz BIEDDKXVWOKPHA-UHFFFAOYSA-N 1 0 231.296 2.789 10 30 BFEERO C=CC[C@H](Cc1ccccc1)[N@H+](CC)CCCO ZINC000584621245 358288703 /nfs/dbraw/zinc/28/87/03/358288703.db2.gz XUCXLETYIFCHOM-MRXNPFEDSA-N 1 0 247.382 2.878 10 30 BFEERO N#CCC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000584636417 358320910 /nfs/dbraw/zinc/32/09/10/358320910.db2.gz DCKNBLRZHLYLKB-UHFFFAOYSA-N 1 0 234.730 2.875 10 30 BFEERO N#CCCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000127854746 358566935 /nfs/dbraw/zinc/56/69/35/358566935.db2.gz FJICJFRRDMASPD-UONOGXRCSA-N 1 0 246.358 2.650 10 30 BFEERO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052272403 358777553 /nfs/dbraw/zinc/77/75/53/358777553.db2.gz KEOGYZAFKRVJNJ-FZMZJTMJSA-N 1 0 217.312 2.749 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000054825593 358876233 /nfs/dbraw/zinc/87/62/33/358876233.db2.gz HQTAIEVCAQHVDV-HUUCEWRRSA-N 1 0 228.339 2.901 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000054825595 358876500 /nfs/dbraw/zinc/87/65/00/358876500.db2.gz HQTAIEVCAQHVDV-LSDHHAIUSA-N 1 0 228.339 2.901 10 30 BFEERO CC(C)C1(C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000224434653 359681319 /nfs/dbraw/zinc/68/13/19/359681319.db2.gz FOSSZSQIAYLJOE-NEPJUHHUSA-N 1 0 206.333 2.704 10 30 BFEERO C#CC[NH2+]Cc1c(OCC)ccc2ccccc21 ZINC000045945316 359745403 /nfs/dbraw/zinc/74/54/03/359745403.db2.gz PRKVIECVRJVABK-UHFFFAOYSA-N 1 0 239.318 2.961 10 30 BFEERO C#CCOc1cccc(C[NH2+][C@H](C)CC)c1 ZINC000045945818 359745990 /nfs/dbraw/zinc/74/59/90/359745990.db2.gz WLVOUVPMGXPMQY-GFCCVEGCSA-N 1 0 217.312 2.587 10 30 BFEERO C#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000306396883 359761833 /nfs/dbraw/zinc/76/18/33/359761833.db2.gz IAJDCJSYGNJPAR-DZGCQCFKSA-N 1 0 213.324 2.968 10 30 BFEERO C=C(C)CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000352024701 366549409 /nfs/dbraw/zinc/54/94/09/366549409.db2.gz IHIHPPSRGDUUEU-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)CCN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000351751171 366539745 /nfs/dbraw/zinc/53/97/45/366539745.db2.gz HALKPUNSTDEDHH-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C=CCOCC[NH2+][C@H]1CCC[C@H]1CCC ZINC000309100009 491144809 /nfs/dbraw/zinc/14/48/09/491144809.db2.gz GHOYKKGZEFOZAF-OLZOCXBDSA-N 1 0 211.349 2.747 10 30 BFEERO C=C([C@@H]([NH3+])c1cccs1)C(F)(F)F ZINC000306456385 360047102 /nfs/dbraw/zinc/04/71/02/360047102.db2.gz SWZBCZPPOCBLNG-SSDOTTSWSA-N 1 0 207.220 2.866 10 30 BFEERO CC#CC[C@H]([NH3+])c1csc(Br)c1 ZINC000161033828 360276842 /nfs/dbraw/zinc/27/68/42/360276842.db2.gz IRXGQYZEJRWKFP-QMMMGPOBSA-N 1 0 244.157 2.924 10 30 BFEERO C=C(Br)C[NH2+]C1[C@H](C)CC[C@H]1C ZINC000306520799 360357435 /nfs/dbraw/zinc/35/74/35/360357435.db2.gz FGZVAQWVTMDHAR-HTQZYQBOSA-N 1 0 232.165 2.919 10 30 BFEERO C[C@H]1CC[N@H+](CC(C)(C)CS)CCS1 ZINC000306554806 360427738 /nfs/dbraw/zinc/42/77/38/360427738.db2.gz LQTNHOFAEZQKIJ-JTQLQIEISA-N 1 0 233.446 2.770 10 30 BFEERO CN(Cc1ccccc1)C[C@H](C#N)C1CC1 ZINC000306574832 360464304 /nfs/dbraw/zinc/46/43/04/360464304.db2.gz IUDXJEFQQIRPCJ-AWEZNQCLSA-N 1 0 214.312 2.668 10 30 BFEERO C#CCC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000070597721 361582860 /nfs/dbraw/zinc/58/28/60/361582860.db2.gz UMPZMCGPKTYYEU-SSDOTTSWSA-N 1 0 244.157 2.924 10 30 BFEERO [NH3+]CC#Cc1c(OC(F)F)ccc2ccccc21 ZINC000038077866 181346799 /nfs/dbraw/zinc/34/67/99/181346799.db2.gz JZLLWYNQAUSPCJ-UHFFFAOYSA-N 1 0 247.244 2.751 10 30 BFEERO C=CC[NH2+][C@@H](C)c1ccccc1OCC ZINC000019875944 541371469 /nfs/dbraw/zinc/37/14/69/541371469.db2.gz TZSVHBBIVKNGPD-NSHDSACASA-N 1 0 205.301 2.922 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1c(OC)cccc1OC ZINC000130811119 369088536 /nfs/dbraw/zinc/08/85/36/369088536.db2.gz HJNNTHLWUVQKHO-JTQLQIEISA-N 1 0 221.300 2.670 10 30 BFEERO C[C@@H]1CC[C@@H](Nc2ccc(Cl)cc2C#N)C[NH2+]1 ZINC000600955646 369575648 /nfs/dbraw/zinc/57/56/48/369575648.db2.gz PJZRDRODCZCDLJ-BXKDBHETSA-N 1 0 249.745 2.764 10 30 BFEERO C[C@@H]1CC[C@H](Nc2ccc(Cl)cc2C#N)C[NH2+]1 ZINC000600955649 369574875 /nfs/dbraw/zinc/57/48/75/369574875.db2.gz PJZRDRODCZCDLJ-SKDRFNHKSA-N 1 0 249.745 2.764 10 30 BFEERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251051007 369645060 /nfs/dbraw/zinc/64/50/60/369645060.db2.gz AKTVLOYEZGGMEW-DYEKYZERSA-N 1 0 232.327 2.883 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000130954054 370469992 /nfs/dbraw/zinc/46/99/92/370469992.db2.gz VRSDNFHIKGBRMN-CYBMUJFWSA-N 1 0 221.300 2.670 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000389986416 371184835 /nfs/dbraw/zinc/18/48/35/371184835.db2.gz DILJCFCPSWTJCW-MWLCHTKSSA-N 1 0 228.286 2.846 10 30 BFEERO C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000126413335 371519417 /nfs/dbraw/zinc/51/94/17/371519417.db2.gz GLKDEDYPRDMGFV-RTXFEEFZSA-N 1 0 206.333 2.847 10 30 BFEERO CC[NH+](CC)CC#Cc1cccc(C)c1 ZINC000002479966 371557429 /nfs/dbraw/zinc/55/74/29/371557429.db2.gz TUVHZTCJZMNXAQ-UHFFFAOYSA-N 1 0 201.313 2.688 10 30 BFEERO C#C[C@H]([NH3+])c1cc(C)c(Br)c(C)c1 ZINC000162905515 371881167 /nfs/dbraw/zinc/88/11/67/371881167.db2.gz BHTYJYADKGSSIL-JTQLQIEISA-N 1 0 238.128 2.699 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ncccc1Br ZINC000133180677 372001621 /nfs/dbraw/zinc/00/16/21/372001621.db2.gz ICKJRNJNOHRACU-SECBINFHSA-N 1 0 241.132 2.810 10 30 BFEERO C=C(c1cccc(C[NH3+])c1)C(F)(F)F ZINC000306499223 372026485 /nfs/dbraw/zinc/02/64/85/372026485.db2.gz IKPWBVCZYAFLCB-UHFFFAOYSA-N 1 0 201.191 2.721 10 30 BFEERO C#C[C@@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000133211341 372006134 /nfs/dbraw/zinc/00/61/34/372006134.db2.gz OZUFKPNAXRVASG-SNVBAGLBSA-N 1 0 214.095 2.887 10 30 BFEERO CC[NH2+]CC#Cc1ccc(Cl)c(Cl)c1 ZINC000229452880 372152954 /nfs/dbraw/zinc/15/29/54/372152954.db2.gz IVEGVHOYQVCNNI-UHFFFAOYSA-N 1 0 228.122 2.954 10 30 BFEERO C#C[C@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000229529204 372161508 /nfs/dbraw/zinc/16/15/08/372161508.db2.gz MXSZYCSMYCFVLL-ONGXEEELSA-N 1 0 205.326 2.737 10 30 BFEERO CCC[N@H+](C)[C@@H]1CCC2=C(CCCC2=O)C1 ZINC000003990454 169086935 /nfs/dbraw/zinc/08/69/35/169086935.db2.gz PPLKMZZVXLGMGV-GFCCVEGCSA-N 1 0 221.344 2.930 10 30 BFEERO CCC[N@H+](CC)Cc1ccc(C#CCCO)cc1 ZINC000049617314 169130274 /nfs/dbraw/zinc/13/02/74/169130274.db2.gz AOGOELKENWJMJG-UHFFFAOYSA-N 1 0 245.366 2.652 10 30 BFEERO CCCO[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H]2C#N)C1 ZINC000042422252 169311956 /nfs/dbraw/zinc/31/19/56/169311956.db2.gz AQAGTZNHXPHXAQ-MGPQQGTHSA-N 1 0 236.359 2.570 10 30 BFEERO CCC[C@@H](C)COc1cccc(C#CC[NH3+])c1 ZINC000051322919 169361370 /nfs/dbraw/zinc/36/13/70/169361370.db2.gz NXJKCTKYFJNSNQ-CYBMUJFWSA-N 1 0 231.339 2.812 10 30 BFEERO C#CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000069768021 383844108 /nfs/dbraw/zinc/84/41/08/383844108.db2.gz UGAWMYJAHYWTBT-ZDUSSCGKSA-N 1 0 201.313 2.977 10 30 BFEERO C[C@H](CCCC[NH3+])Nc1ccc(C#N)cc1F ZINC000336726424 384256195 /nfs/dbraw/zinc/25/61/95/384256195.db2.gz VOPNPSPMQGSLST-SNVBAGLBSA-N 1 0 235.306 2.627 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000165044219 384373265 /nfs/dbraw/zinc/37/32/65/384373265.db2.gz SWFFCIIAGGUZRY-KBPBESRZSA-N 1 0 214.312 2.836 10 30 BFEERO C[C@H](C[NH2+]CCS)C1CCCCC1 ZINC000096328023 384452906 /nfs/dbraw/zinc/45/29/06/384452906.db2.gz MYMPHVPNIHRYNL-SNVBAGLBSA-N 1 0 201.379 2.722 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000382190135 384821085 /nfs/dbraw/zinc/82/10/85/384821085.db2.gz BPAMYPSVHZSZBT-FDYHWXHSSA-N 1 0 206.333 2.847 10 30 BFEERO C#CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245836410 385069983 /nfs/dbraw/zinc/06/99/83/385069983.db2.gz CPQVKJRCCMMMJE-RRFJBIMHSA-N 1 0 247.382 2.727 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309089426 385412267 /nfs/dbraw/zinc/41/22/67/385412267.db2.gz BPAMYPSVHZSZBT-LPWJVIDDSA-N 1 0 206.333 2.847 10 30 BFEERO CC[C@H](C[NH2+]CCS)Oc1cccc(C)c1 ZINC000204954580 385644429 /nfs/dbraw/zinc/64/44/29/385644429.db2.gz BTJQNJQLMYVMJU-GFCCVEGCSA-N 1 0 239.384 2.672 10 30 BFEERO CC[C@@H](C[NH2+]CCS)Oc1cccc(C)c1 ZINC000204954563 385644738 /nfs/dbraw/zinc/64/47/38/385644738.db2.gz BTJQNJQLMYVMJU-LBPRGKRZSA-N 1 0 239.384 2.672 10 30 BFEERO C=CCC[C@H]([NH2+]CCn1cc(C)cn1)C1CC1 ZINC000124024009 386590681 /nfs/dbraw/zinc/59/06/81/386590681.db2.gz NXXVHEVDDXNESE-AWEZNQCLSA-N 1 0 233.359 2.526 10 30 BFEERO C=CCC[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000126816466 388704820 /nfs/dbraw/zinc/70/48/20/388704820.db2.gz KALQPAQELGWSLD-UONOGXRCSA-N 1 0 226.408 2.907 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc2cscc2s1 ZINC000575491784 388934695 /nfs/dbraw/zinc/93/46/95/388934695.db2.gz KDEQBQHAWHXHSX-MRVPVSSYSA-N 1 0 207.323 2.986 10 30 BFEERO CC[C@@H]([NH3+])C#Cc1ccc(Br)cc1 ZINC000575494627 388954506 /nfs/dbraw/zinc/95/45/06/388954506.db2.gz ZZXZIIKXWXKYRU-LLVKDONJSA-N 1 0 238.128 2.538 10 30 BFEERO C#C[C@H](C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000309386497 533298018 /nfs/dbraw/zinc/29/80/18/533298018.db2.gz FDMYCHOQNREORU-MYZSUADSSA-N 1 0 213.324 2.790 10 30 BFEERO CC1(C#N)CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000336208474 134133095 /nfs/dbraw/zinc/13/30/95/134133095.db2.gz MXFLRNGKTSLKKF-ZIHBUVQPSA-N 1 0 231.343 2.741 10 30 BFEERO C#CC[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000224351628 134346533 /nfs/dbraw/zinc/34/65/33/134346533.db2.gz RMQDSZZVLLLGJW-AWEZNQCLSA-N 1 0 242.366 2.657 10 30 BFEERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C12CCC2 ZINC000250493977 135056144 /nfs/dbraw/zinc/05/61/44/135056144.db2.gz JBGZGJCQGQKYFE-ZOBORPQBSA-N 1 0 248.370 2.616 10 30 BFEERO C[C@H](CC#N)[N@H+](C)C[C@H]1Cc2ccccc21 ZINC000251623056 135093371 /nfs/dbraw/zinc/09/33/71/135093371.db2.gz QNYNLXQHYHPQGP-DGCLKSJQSA-N 1 0 214.312 2.560 10 30 BFEERO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253626114 135127936 /nfs/dbraw/zinc/12/79/36/135127936.db2.gz XKNOGIJWSCEVGY-KFWWJZLASA-N 1 0 237.387 2.968 10 30 BFEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(C)c1 ZINC000262485937 135301483 /nfs/dbraw/zinc/30/14/83/135301483.db2.gz WOOCAWPDVDEQHD-DGCLKSJQSA-N 1 0 231.343 2.910 10 30 BFEERO CCC1CCC(NC(NC2CCC2)=[NH+]C)CC1 ZINC000262772611 135317625 /nfs/dbraw/zinc/31/76/25/135317625.db2.gz IGWBTRTYXRDBBG-UHFFFAOYSA-N 1 0 237.391 2.673 10 30 BFEERO [NH2+]=C(N[C@H]1CCC12CCCC2)N1CCCCCC1 ZINC000263300581 135345088 /nfs/dbraw/zinc/34/50/88/135345088.db2.gz ZGWSTHVGIDMVJJ-ZDUSSCGKSA-N 1 0 249.402 2.900 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000080354795 135368884 /nfs/dbraw/zinc/36/88/84/135368884.db2.gz SGVXHDVTIODOEB-BXUZGUMPSA-N 1 0 239.322 2.950 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000080354802 135368982 /nfs/dbraw/zinc/36/89/82/135368982.db2.gz SGVXHDVTIODOEB-SMDDNHRTSA-N 1 0 239.322 2.950 10 30 BFEERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC#N)o1 ZINC000278899595 135369417 /nfs/dbraw/zinc/36/94/17/135369417.db2.gz IPJVTWUFUSFISB-GXSJLCMTSA-N 1 0 206.289 2.931 10 30 BFEERO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c1 ZINC000334415876 135394561 /nfs/dbraw/zinc/39/45/61/135394561.db2.gz PWICRYXDUIYDSD-UONOGXRCSA-N 1 0 212.296 2.543 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000165168985 135485272 /nfs/dbraw/zinc/48/52/72/135485272.db2.gz VJUNENDKZZJQGD-CMPLNLGQSA-N 1 0 220.341 2.898 10 30 BFEERO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000182599754 397826105 /nfs/dbraw/zinc/82/61/05/397826105.db2.gz ZWURNQQDOVKBPX-VXGBXAGGSA-N 1 0 223.316 2.566 10 30 BFEERO CC1(C)CC[C@H](C[NH2+][C@H]2CCCC[C@H]2C#N)O1 ZINC000595693583 397994951 /nfs/dbraw/zinc/99/49/51/397994951.db2.gz IYRXXEHDWVFFRT-XQQFMLRXSA-N 1 0 236.359 2.616 10 30 BFEERO C=CCCCCC[NH2+]C[C@H](O)C(C)(C)C ZINC000324449498 487616259 /nfs/dbraw/zinc/61/62/59/487616259.db2.gz FYKWKNFVDLJDRN-LBPRGKRZSA-N 1 0 213.365 2.729 10 30 BFEERO C#CC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000019875491 166192147 /nfs/dbraw/zinc/19/21/47/166192147.db2.gz VTFZOJPQHFCRMU-MRXNPFEDSA-N 1 0 237.302 2.704 10 30 BFEERO C=CCCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273126281 166243060 /nfs/dbraw/zinc/24/30/60/166243060.db2.gz QNMWZUBYDXUVOW-CYBMUJFWSA-N 1 0 239.746 2.929 10 30 BFEERO C=CCN(CC=C)Cc1cc(C[NH2+]CCC)co1 ZINC000052376596 166334739 /nfs/dbraw/zinc/33/47/39/166334739.db2.gz ZGCWQSSILTXEOH-UHFFFAOYSA-N 1 0 248.370 2.953 10 30 BFEERO C=CCN(CC=C)c1ccccc1[C@@H](C)[NH3+] ZINC000019871902 166339836 /nfs/dbraw/zinc/33/98/36/166339836.db2.gz DNWZCMZEGIXWSG-GFCCVEGCSA-N 1 0 216.328 2.885 10 30 BFEERO C=CC[N@H+]1CC[C@@H]2c3cccc(O)c3CC[C@@H]21 ZINC000013826521 166358114 /nfs/dbraw/zinc/35/81/14/166358114.db2.gz MHHLELSXRBTNRD-OCCSQVGLSA-N 1 0 229.323 2.682 10 30 BFEERO C=CC[N@@H+]1CC[C@@H]2c3ccccc3CC[C@H]21 ZINC000028757606 166358276 /nfs/dbraw/zinc/35/82/76/166358276.db2.gz KJAVUVIRTPBAPJ-HUUCEWRRSA-N 1 0 213.324 2.977 10 30 BFEERO C=CC[NH2+]CC[C@H](O)c1ccc2c(c1)CCCC2 ZINC000049833890 166398874 /nfs/dbraw/zinc/39/88/74/166398874.db2.gz OFCLTBZJCGSHQC-INIZCTEOSA-N 1 0 245.366 2.765 10 30 BFEERO C=CC[NH2+]CC[C@H](O)c1c(C)cc(C)cc1C ZINC000049825906 166399450 /nfs/dbraw/zinc/39/94/50/166399450.db2.gz BUUQZQODRALYIT-AWEZNQCLSA-N 1 0 233.355 2.811 10 30 BFEERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054597643 167006829 /nfs/dbraw/zinc/00/68/29/167006829.db2.gz CDPKPTAFTMPBIV-LSDHHAIUSA-N 1 0 228.339 2.907 10 30 BFEERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054594270 167115181 /nfs/dbraw/zinc/11/51/81/167115181.db2.gz XKGXJMSSUWBVMM-ZIAGYGMSSA-N 1 0 214.312 2.660 10 30 BFEERO CC(C)Oc1ccc2cc(C#CC[NH3+])ccc2c1 ZINC000042477896 167302546 /nfs/dbraw/zinc/30/25/46/167302546.db2.gz ZDJHJOUORIVMID-UHFFFAOYSA-N 1 0 239.318 2.937 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000229255105 411189846 /nfs/dbraw/zinc/18/98/46/411189846.db2.gz PLUDIHOEEULVIV-OLZOCXBDSA-N 1 0 238.400 2.802 10 30 BFEERO CC[NH2+]Cc1cc(C)ccc1O[C@@H](C#N)CC ZINC000071403817 170125731 /nfs/dbraw/zinc/12/57/31/170125731.db2.gz XJQFOWKDTCJTTM-CYBMUJFWSA-N 1 0 232.327 2.786 10 30 BFEERO CCN[C@@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846543 170154946 /nfs/dbraw/zinc/15/49/46/170154946.db2.gz ZERKTDDZBWZIBD-CQSZACIVSA-N 1 0 232.327 2.520 10 30 BFEERO CC[NH2+][C@H](C)c1ccccc1N(C)CCC#N ZINC000034840025 170159862 /nfs/dbraw/zinc/15/98/62/170159862.db2.gz ZISCRBNQTHQELJ-GFCCVEGCSA-N 1 0 231.343 2.707 10 30 BFEERO CCOCCC[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127389166 170382408 /nfs/dbraw/zinc/38/24/08/170382408.db2.gz PIYYMBFDPBGAGR-SNVBAGLBSA-N 1 0 238.356 2.697 10 30 BFEERO CCOCC[N@H+](CC)[C@@H]1CCCCC[C@@H]1C#N ZINC000104193186 170396266 /nfs/dbraw/zinc/39/62/66/170396266.db2.gz ICFFEOBRFVEOKS-ZIAGYGMSSA-N 1 0 238.375 2.817 10 30 BFEERO CC[C@H](C)C[NH2+]Cc1ccccc1OCC#N ZINC000054468162 171285724 /nfs/dbraw/zinc/28/57/24/171285724.db2.gz JAXBKLSRXUARPC-LBPRGKRZSA-N 1 0 232.327 2.725 10 30 BFEERO C[NH+](C)/C=C/C=C\C(=O)c1ccccc1 ZINC000033374152 172351017 /nfs/dbraw/zinc/35/10/17/172351017.db2.gz HVBROFAHKRAJRB-NAKBGQTNSA-N 1 0 201.269 2.501 10 30 BFEERO CN(C)/C=[NH+]/C1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000033898726 172352334 /nfs/dbraw/zinc/35/23/34/172352334.db2.gz KNFYVGHYMIJRDP-XDUBLRSXSA-N 1 0 242.322 2.607 10 30 BFEERO C[N@@H+]1CCCC[C@@H]1CCNc1cccc(C#N)c1 ZINC000052205320 173004990 /nfs/dbraw/zinc/00/49/90/173004990.db2.gz VDDCYXFLRDWGOP-OAHLLOKOSA-N 1 0 243.354 2.845 10 30 BFEERO C[N@@H+]1CCC[C@@H]1CCOc1ccc(F)cc1C#N ZINC000104235399 173028220 /nfs/dbraw/zinc/02/82/20/173028220.db2.gz GPHRCINADAOCMT-CYBMUJFWSA-N 1 0 248.301 2.560 10 30 BFEERO C[N@@H+]1CC[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC000052903746 173146415 /nfs/dbraw/zinc/14/64/15/173146415.db2.gz HYLWKKQFLCNECK-SNVBAGLBSA-N 1 0 249.745 2.575 10 30 BFEERO C[NH2+][C@H](C)c1ccc(N(C)C[C@H](C)C#N)c(F)c1 ZINC000042455622 173448687 /nfs/dbraw/zinc/44/86/87/173448687.db2.gz LXQBGZBIEXVABE-GHMZBOCLSA-N 1 0 249.333 2.702 10 30 BFEERO C[C@@H]1CCC[N@H+](CCCC[C@](C)(N)C#N)[C@@H]1C ZINC000050567124 176098588 /nfs/dbraw/zinc/09/85/88/176098588.db2.gz XJSRDJQNTQPPJH-MCIONIFRSA-N 1 0 237.391 2.518 10 30 BFEERO C[C@@H]1CCC[N@@H+]1CCOc1ccc(CC#N)cc1 ZINC000037910807 176109006 /nfs/dbraw/zinc/10/90/06/176109006.db2.gz RTTXKISUCCAIQN-CYBMUJFWSA-N 1 0 244.338 2.616 10 30 BFEERO C[C@@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000104409415 176391420 /nfs/dbraw/zinc/39/14/20/176391420.db2.gz QCBCXMRQTYBXLC-ZYHUDNBSSA-N 1 0 232.302 2.785 10 30 BFEERO C[C@H]([NH3+])Cc1ccc(OCCCCC#N)cc1 ZINC000049579112 176761460 /nfs/dbraw/zinc/76/14/60/176761460.db2.gz HNWIRTWQGPEBEH-LBPRGKRZSA-N 1 0 232.327 2.649 10 30 BFEERO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(C#N)s1 ZINC000132446748 176862901 /nfs/dbraw/zinc/86/29/01/176862901.db2.gz OYLCLRJNIHGROZ-GUBZILKMSA-N 1 0 220.341 2.926 10 30 BFEERO C[C@H]1CCC[N@H+](CCCC[C@](C)(N)C#N)CC1 ZINC000104347588 177097059 /nfs/dbraw/zinc/09/70/59/177097059.db2.gz LSQSUCYJTFUHHH-KBPBESRZSA-N 1 0 237.391 2.520 10 30 BFEERO C=CCOCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000303551938 490167239 /nfs/dbraw/zinc/16/72/39/490167239.db2.gz WHTLGSNBOYSPRZ-OLZOCXBDSA-N 1 0 225.376 2.993 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000309627711 491153115 /nfs/dbraw/zinc/15/31/15/491153115.db2.gz GFIGCROTLFFCNP-IHRRRGAJSA-N 1 0 225.376 2.872 10 30 BFEERO CCCCCCC[NH2+]CCCCCO ZINC000107799879 520056221 /nfs/dbraw/zinc/05/62/21/520056221.db2.gz KUUIFVQCAWUWEU-UHFFFAOYSA-N 1 0 201.354 2.709 10 30 BFEERO CC#CC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000308839663 526382823 /nfs/dbraw/zinc/38/28/23/526382823.db2.gz JPBCNYPYUBNRCX-NSHDSACASA-N 1 0 205.276 2.808 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404066281 527867213 /nfs/dbraw/zinc/86/72/13/527867213.db2.gz NXYAIBFSKLAIDY-BXUZGUMPSA-N 1 0 232.302 2.976 10 30 BFEERO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000334766133 536644606 /nfs/dbraw/zinc/64/46/06/536644606.db2.gz UOLSNEHLIGJGPD-GXTWGEPZSA-N 1 0 242.322 2.551 10 30 BFEERO C=C(C[NH3+])CSCc1ccc(CC)o1 ZINC000757167869 582548625 /nfs/dbraw/zinc/54/86/25/582548625.db2.gz YNSJFHONCNHVLZ-UHFFFAOYSA-N 1 0 211.330 2.590 10 30 BFEERO C=CCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000253199696 584127644 /nfs/dbraw/zinc/12/76/44/584127644.db2.gz WRRTWADDZSTHSE-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO Cc1ccccc1[C@H](C)[NH2+]CCO[C@@H](C)C#N ZINC000302386471 592547885 /nfs/dbraw/zinc/54/78/85/592547885.db2.gz MPHHZZJVPURUIT-STQMWFEESA-N 1 0 232.327 2.574 10 30 BFEERO C#CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000069769699 631278044 /nfs/dbraw/zinc/27/80/44/631278044.db2.gz TVERCOPJFKZYFO-UHFFFAOYSA-N 1 0 211.667 2.592 10 30 BFEERO CS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000235234574 632564334 /nfs/dbraw/zinc/56/43/34/632564334.db2.gz LJHZJLJDJUQAKP-YVECIDJPSA-N 1 0 238.400 2.942 10 30 BFEERO C#CCC[NH2+]Cc1ccc(C)cc1Cl ZINC000235772557 632827292 /nfs/dbraw/zinc/82/72/92/632827292.db2.gz SGQSEFRMGLZVKX-UHFFFAOYSA-N 1 0 207.704 2.761 10 30 BFEERO CCCCCCC[N@@H+]1CC[C@@H](CCO)C1 ZINC000161602592 632851258 /nfs/dbraw/zinc/85/12/58/632851258.db2.gz FAXJGQBURAPTKD-ZDUSSCGKSA-N 1 0 213.365 2.661 10 30 BFEERO C#CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000162965395 635268591 /nfs/dbraw/zinc/26/85/91/635268591.db2.gz NTGQBSLXEAOTBT-UHFFFAOYSA-N 1 0 211.667 2.592 10 30 BFEERO C=CC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000169132470 636535492 /nfs/dbraw/zinc/53/54/92/636535492.db2.gz DGAUGTNCBYUVGE-GXFFZTMASA-N 1 0 217.312 2.934 10 30 BFEERO C=CC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000169132713 636536052 /nfs/dbraw/zinc/53/60/52/636536052.db2.gz DGAUGTNCBYUVGE-MFKMUULPSA-N 1 0 217.312 2.934 10 30 BFEERO C=CC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2O ZINC000169132543 640843704 /nfs/dbraw/zinc/84/37/04/640843704.db2.gz DGAUGTNCBYUVGE-ZWNOBZJWSA-N 1 0 217.312 2.934 10 30 BFEERO C#CCOc1ccccc1C[NH2+][C@H]1C[C@@H]1CCC ZINC000231674086 641193035 /nfs/dbraw/zinc/19/30/35/641193035.db2.gz RDGLUVAAUMZCOR-ZFWWWQNUSA-N 1 0 243.350 2.977 10 30 BFEERO C#CCC[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000070245923 643004500 /nfs/dbraw/zinc/00/45/00/643004500.db2.gz FYQDACMNBJSTGT-UHFFFAOYSA-N 1 0 243.228 2.698 10 30 BFEERO C#CCC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000070245630 643006169 /nfs/dbraw/zinc/00/61/69/643006169.db2.gz YUTYSWSQTVEJRL-UHFFFAOYSA-N 1 0 239.318 2.961 10 30 BFEERO C#CCC[NH2+]Cc1cccc2ccccc21 ZINC000070533381 643036135 /nfs/dbraw/zinc/03/61/35/643036135.db2.gz MDIAIDNKVIJAAP-UHFFFAOYSA-N 1 0 209.292 2.953 10 30 BFEERO C#CCCCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000090397411 643409630 /nfs/dbraw/zinc/40/96/30/643409630.db2.gz CSKKQPYYIHSSOJ-LBPRGKRZSA-N 1 0 247.386 2.974 10 30 BFEERO CSC1CC([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000708269030 712184786 /nfs/dbraw/zinc/18/47/86/712184786.db2.gz IKCXPYQRMMYGKH-WHXUTIOJSA-N 1 0 226.389 2.798 10 30 BFEERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000721859385 710687736 /nfs/dbraw/zinc/68/77/36/710687736.db2.gz IDTRFWADXTZZJU-GFCCVEGCSA-N 1 0 249.745 2.622 10 30 BFEERO C=C1CCC(C[NH2+]C[C@H](O)C(C)(C)C)CC1 ZINC000724589136 711595895 /nfs/dbraw/zinc/59/58/95/711595895.db2.gz PGOOMSHDNMKOIZ-ZDUSSCGKSA-N 1 0 225.376 2.729 10 30 BFEERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000380175346 712705724 /nfs/dbraw/zinc/70/57/24/712705724.db2.gz FGFWZZLSSRYYED-XQHKEYJVSA-N 1 0 206.333 2.703 10 30 BFEERO C=CC[C@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685961668 538908405 /nfs/dbraw/zinc/90/84/05/538908405.db2.gz NFPJRWFXOJJWNE-ZDUSSCGKSA-N 1 0 231.339 2.948 10 30 BFEERO C=CC[C@@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685961660 538908593 /nfs/dbraw/zinc/90/85/93/538908593.db2.gz NFPJRWFXOJJWNE-CYBMUJFWSA-N 1 0 231.339 2.948 10 30 BFEERO C=CC[C@@H](C)[NH2+][C@H](COC)c1ccccc1 ZINC000234744100 136210092 /nfs/dbraw/zinc/21/00/92/136210092.db2.gz HUIVHRHHBRRCIZ-TZMCWYRMSA-N 1 0 219.328 2.928 10 30 BFEERO Cc1ccc(C#N)cc1Nc1cc(N)cc[nH+]1 ZINC000050429299 178367654 /nfs/dbraw/zinc/36/76/54/178367654.db2.gz FZZMAAISKZFOAY-UHFFFAOYSA-N 1 0 224.267 2.588 10 30 BFEERO C#CC[C@H]([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000051075238 346832620 /nfs/dbraw/zinc/83/26/20/346832620.db2.gz HEYXWXOWEGPCIV-VIFPVBQESA-N 1 0 228.122 2.887 10 30 BFEERO C[C@H]([NH3+])C[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000320507111 342733542 /nfs/dbraw/zinc/73/35/42/342733542.db2.gz KVUXMNRSFPNZFH-IUCAKERBSA-N 1 0 237.734 2.749 10 30 BFEERO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000380150263 538986556 /nfs/dbraw/zinc/98/65/56/538986556.db2.gz XPPFAZWBFWKWTI-DTWKUNHWSA-N 1 0 245.775 2.989 10 30 BFEERO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000381512146 539002550 /nfs/dbraw/zinc/00/25/50/539002550.db2.gz XJYMBNFBHPVEJB-MCIONIFRSA-N 1 0 223.360 2.624 10 30 BFEERO CCC[C@@H]([NH3+])C#Cc1occc1Br ZINC000229904051 342854637 /nfs/dbraw/zinc/85/46/37/342854637.db2.gz BMUFXSTWRODMOD-MRVPVSSYSA-N 1 0 242.116 2.521 10 30 BFEERO CC(C)C(=[NH2+])NCc1cccc(Cl)c1 ZINC000059925548 342875965 /nfs/dbraw/zinc/87/59/65/342875965.db2.gz DTZKLQSHXAXGPD-UHFFFAOYSA-N 1 0 210.708 2.853 10 30 BFEERO CCCNC(=[NH2+])c1ccc(Br)cc1 ZINC000059926428 342876243 /nfs/dbraw/zinc/87/62/43/342876243.db2.gz KUXBEMFRGVNGAN-UHFFFAOYSA-N 1 0 241.132 2.564 10 30 BFEERO C#CC[C@@H]([NH3+])c1c(F)cccc1Br ZINC000165158018 342878019 /nfs/dbraw/zinc/87/80/19/342878019.db2.gz AWBTZFXKRHMRNI-SECBINFHSA-N 1 0 242.091 2.611 10 30 BFEERO N#CCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000308895685 133451437 /nfs/dbraw/zinc/45/14/37/133451437.db2.gz ZZIBQARGQKEQTI-RYUDHWBXSA-N 1 0 212.312 2.798 10 30 BFEERO CC(C)CC[N@H+]1[C@H](C)C[C@@H](C=O)C[C@@H]1C ZINC000584883527 343086638 /nfs/dbraw/zinc/08/66/38/343086638.db2.gz ROLABVLUSFVIPB-CLLJXQQHSA-N 1 0 211.349 2.720 10 30 BFEERO N#CCc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000049332813 343102700 /nfs/dbraw/zinc/10/27/00/343102700.db2.gz XNZYWQLJSNAVBI-UHFFFAOYSA-N 1 0 244.338 2.617 10 30 BFEERO C=C(C)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000161008439 136273689 /nfs/dbraw/zinc/27/36/89/136273689.db2.gz LZEUUAVTDYWKFV-LLVKDONJSA-N 1 0 233.311 2.685 10 30 BFEERO C=C[C@@H]([NH3+])c1c[nH]c2c1cccc2CC ZINC000089204047 187243574 /nfs/dbraw/zinc/24/35/74/187243574.db2.gz SWQBIXZLKUKNRO-GFCCVEGCSA-N 1 0 200.285 2.916 10 30 BFEERO C=C(C)C[NH2+]Cc1ccnc2ccccc12 ZINC000167466225 343208992 /nfs/dbraw/zinc/20/89/92/343208992.db2.gz KJRYYQZLVLGFCS-UHFFFAOYSA-N 1 0 212.296 2.901 10 30 BFEERO C=CC[N@H+]1CC[C@](C)(c2cccc(O)c2)C1 ZINC000238467325 343257246 /nfs/dbraw/zinc/25/72/46/343257246.db2.gz TUSIRJPXAHGQFZ-AWEZNQCLSA-N 1 0 217.312 2.542 10 30 BFEERO C=C(Cl)COc1cccc([C@@H](C)[NH3+])c1 ZINC000037698180 187253414 /nfs/dbraw/zinc/25/34/14/187253414.db2.gz SJAALPSXPSPJNF-SECBINFHSA-N 1 0 211.692 2.838 10 30 BFEERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000070830374 343425698 /nfs/dbraw/zinc/42/56/98/343425698.db2.gz UMZHCPQSLYXVFO-FVCCEPFGSA-N 1 0 206.333 2.847 10 30 BFEERO C#CC[NH2+]C[C@H](C)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000053583948 166188880 /nfs/dbraw/zinc/18/88/80/166188880.db2.gz YNQRUJKKGJHTGT-HZSPNIEDSA-N 1 0 237.387 2.829 10 30 BFEERO CC[C@@](C)(C=O)C[N@H+](C)Cc1ccccc1 ZINC000051175732 346975002 /nfs/dbraw/zinc/97/50/02/346975002.db2.gz HBEMMLWPNVLPNE-CQSZACIVSA-N 1 0 219.328 2.734 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000334212969 343834817 /nfs/dbraw/zinc/83/48/17/343834817.db2.gz DCDUMAOPUDXFRE-KBPBESRZSA-N 1 0 212.296 2.543 10 30 BFEERO CC(=O)/C=C1/C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000307637247 343956917 /nfs/dbraw/zinc/95/69/17/343956917.db2.gz WKQFLCGERKHMKB-ZENNRRHLSA-N 1 0 229.323 2.796 10 30 BFEERO CC1(C)CC([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000395201545 344124117 /nfs/dbraw/zinc/12/41/17/344124117.db2.gz GKVFSKZBMSDANT-ZYHUDNBSSA-N 1 0 206.333 2.847 10 30 BFEERO C=C(C)C[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000129132564 344210516 /nfs/dbraw/zinc/21/05/16/344210516.db2.gz ZZOSMVWIAFAMQM-STQMWFEESA-N 1 0 219.332 2.533 10 30 BFEERO C#CC[C@H]([NH3+])c1cccc(Br)c1F ZINC000236305136 344354690 /nfs/dbraw/zinc/35/46/90/344354690.db2.gz YLICANSHJVCERP-VIFPVBQESA-N 1 0 242.091 2.611 10 30 BFEERO C#CCOc1cccc(C[NH2+][C@@H](C)CC)c1 ZINC000045945821 192075422 /nfs/dbraw/zinc/07/54/22/192075422.db2.gz WLVOUVPMGXPMQY-LBPRGKRZSA-N 1 0 217.312 2.587 10 30 BFEERO C=CCCOCC[NH2+][C@@H](CC)C(C)(C)C ZINC000380201623 344712889 /nfs/dbraw/zinc/71/28/89/344712889.db2.gz UEJFSKMAJDAJOW-LBPRGKRZSA-N 1 0 213.365 2.993 10 30 BFEERO CSC1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000235087774 344776183 /nfs/dbraw/zinc/77/61/83/344776183.db2.gz WDTMPWBQLUPLAJ-WDEREUQCSA-N 1 0 224.373 2.554 10 30 BFEERO CC(C)C1(C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000224434712 344919748 /nfs/dbraw/zinc/91/97/48/344919748.db2.gz FOSSZSQIAYLJOE-RYUDHWBXSA-N 1 0 206.333 2.704 10 30 BFEERO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)C#N)c1 ZINC000054180686 178804269 /nfs/dbraw/zinc/80/42/69/178804269.db2.gz TWLKYVQIRFBEOH-MNOVXSKESA-N 1 0 218.300 2.511 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1cccc(OC)c1OC ZINC000163973639 345781943 /nfs/dbraw/zinc/78/19/43/345781943.db2.gz MZHYDXZXJAYSJV-LLVKDONJSA-N 1 0 221.300 2.670 10 30 BFEERO CC#CC[N@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000160016168 345786951 /nfs/dbraw/zinc/78/69/51/345786951.db2.gz VRGBDMBQUVMGEM-LBPRGKRZSA-N 1 0 248.395 2.908 10 30 BFEERO C=CC[C@@]1([NH3+])CCCN(Cc2ccccc2)C1 ZINC000307626865 345867517 /nfs/dbraw/zinc/86/75/17/345867517.db2.gz KUNHQCKODIHQOQ-OAHLLOKOSA-N 1 0 230.355 2.556 10 30 BFEERO C=C[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745498 187362006 /nfs/dbraw/zinc/36/20/06/187362006.db2.gz BJQCYEAUVGSAIK-IUCAKERBSA-N 1 0 209.264 2.799 10 30 BFEERO C#C[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000236290394 346221012 /nfs/dbraw/zinc/22/10/12/346221012.db2.gz BSZJLJBDNXUREB-YFKPBYRVSA-N 1 0 206.097 2.688 10 30 BFEERO C#CCOc1ccc2ccccc2c1C[NH2+]C ZINC000037487716 346701059 /nfs/dbraw/zinc/70/10/59/346701059.db2.gz JDXIJAHODKXUOJ-UHFFFAOYSA-N 1 0 225.291 2.571 10 30 BFEERO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC1=O ZINC000250514349 362807139 /nfs/dbraw/zinc/80/71/39/362807139.db2.gz FMRFHZOBFNQSRR-GHMZBOCLSA-N 1 0 227.735 2.573 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000063100008 347514866 /nfs/dbraw/zinc/51/48/66/347514866.db2.gz LQPSNYGYOBZFHF-DTWKUNHWSA-N 1 0 220.238 2.611 10 30 BFEERO Cc1cnc(CC[NH2+][C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000592122686 347737315 /nfs/dbraw/zinc/73/73/15/347737315.db2.gz LTBGEKCDMYHNMV-HIFRSBDPSA-N 1 0 243.354 2.523 10 30 BFEERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C[C@H](C)O1 ZINC000595692933 348317298 /nfs/dbraw/zinc/31/72/98/348317298.db2.gz ZFWIARWKRNMBQY-ZUWCUPBKSA-N 1 0 236.359 2.614 10 30 BFEERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C[C@H](C)O1 ZINC000595692932 348317338 /nfs/dbraw/zinc/31/73/38/348317338.db2.gz ZFWIARWKRNMBQY-XVIXHAIJSA-N 1 0 236.359 2.614 10 30 BFEERO C=C[C@@H]([NH2+]C)c1sccc1Br ZINC000130486654 362921656 /nfs/dbraw/zinc/92/16/56/362921656.db2.gz NYYUWKNCKZPRSM-SSDOTTSWSA-N 1 0 232.146 2.957 10 30 BFEERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000597195955 348673279 /nfs/dbraw/zinc/67/32/79/348673279.db2.gz PCTUUGVHJZJBSR-NOOOWODRSA-N 1 0 224.373 2.552 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CS1 ZINC000597197945 348674167 /nfs/dbraw/zinc/67/41/67/348674167.db2.gz ZXBYCHMIACQIKT-NDBYEHHHSA-N 1 0 238.400 2.942 10 30 BFEERO Cc1ccc(C[N@@H+]2CCS[C@@H](C)C2)cc1C#N ZINC000599284241 349145877 /nfs/dbraw/zinc/14/58/77/349145877.db2.gz PCIOABKBDZYIOA-LBPRGKRZSA-N 1 0 246.379 2.804 10 30 BFEERO CC#CC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000051665116 350022433 /nfs/dbraw/zinc/02/24/33/350022433.db2.gz UCOXTCBJHNUDOF-LLVKDONJSA-N 1 0 238.128 2.862 10 30 BFEERO C=C(C)COCC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000131388298 191012047 /nfs/dbraw/zinc/01/20/47/191012047.db2.gz NTYMPLWNYLXLDP-OLZOCXBDSA-N 1 0 211.349 2.747 10 30 BFEERO CC[C@@](C#N)(CC[NH+](C)C)c1ccccc1 ZINC000031622804 350396120 /nfs/dbraw/zinc/39/61/20/350396120.db2.gz FUTYMWBLUNRHIR-AWEZNQCLSA-N 1 0 216.328 2.810 10 30 BFEERO CC[C@](C#N)(CC[NH+](C)C)c1ccccc1 ZINC000031622801 350396282 /nfs/dbraw/zinc/39/62/82/350396282.db2.gz FUTYMWBLUNRHIR-CQSZACIVSA-N 1 0 216.328 2.810 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000336643290 350413826 /nfs/dbraw/zinc/41/38/26/350413826.db2.gz BYMKMKGZYVCCHE-VXGBXAGGSA-N 1 0 206.333 2.801 10 30 BFEERO C[C@@H]1COC[C@@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000336708257 350460535 /nfs/dbraw/zinc/46/05/35/350460535.db2.gz QXDLELXMCIFJGT-CHWSQXEVSA-N 1 0 238.375 2.816 10 30 BFEERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccccc1C#N ZINC000616597658 350653492 /nfs/dbraw/zinc/65/34/92/350653492.db2.gz HAGJGDNIFHMZDH-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO CC(C)[N@@H+]1CCCOC[C@H]1c1cccc(C#N)c1 ZINC000616597778 350653507 /nfs/dbraw/zinc/65/35/07/350653507.db2.gz SEAAYJSEVPMBNG-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236169502 350730661 /nfs/dbraw/zinc/73/06/61/350730661.db2.gz VLGZDJZCVPLJQR-HOCLYGCPSA-N 1 0 240.350 2.826 10 30 BFEERO N#CC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000397559914 350916574 /nfs/dbraw/zinc/91/65/74/350916574.db2.gz AAUBAVBBBOXMBA-HIFRSBDPSA-N 1 0 240.350 2.952 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000129022433 350961924 /nfs/dbraw/zinc/96/19/24/350961924.db2.gz NYYRBJTWEOGAMF-LBPRGKRZSA-N 1 0 203.285 2.588 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc(OC)cc1OC ZINC000129072477 350978038 /nfs/dbraw/zinc/97/80/38/350978038.db2.gz AFCSCGRWLSFFQA-LBPRGKRZSA-N 1 0 221.300 2.670 10 30 BFEERO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398103606 351005944 /nfs/dbraw/zinc/00/59/44/351005944.db2.gz UOJWIGYFQMRCBD-VXGBXAGGSA-N 1 0 213.365 2.728 10 30 BFEERO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336721590 351152725 /nfs/dbraw/zinc/15/27/25/351152725.db2.gz ZXJLFFZGUKIDQI-CHWSQXEVSA-N 1 0 229.339 2.697 10 30 BFEERO CC(C)[N@@H+]1CCCO[C@H](c2ccc(C#N)cc2)C1 ZINC000616650317 351174885 /nfs/dbraw/zinc/17/48/85/351174885.db2.gz WUTDIWFGXOJNGV-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000218306919 351496875 /nfs/dbraw/zinc/49/68/75/351496875.db2.gz JKVKWBACMHCIRK-TUKIKUTGSA-N 1 0 244.338 2.512 10 30 BFEERO CCCCCCCc1nc(C[C@@H]([NH3+])CC)no1 ZINC000103658654 168658967 /nfs/dbraw/zinc/65/89/67/168658967.db2.gz QCBFNOLBIQGHDO-NSHDSACASA-N 1 0 239.363 2.862 10 30 BFEERO CN/C(=[NH+]\C)S[C@@H]1CCC[C@@H](C)C1 ZINC000307300832 351926081 /nfs/dbraw/zinc/92/60/81/351926081.db2.gz JEXQQVULDNEKIW-RKDXNWHRSA-N 1 0 200.351 2.504 10 30 BFEERO C#Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000019504629 187545261 /nfs/dbraw/zinc/54/52/61/187545261.db2.gz SNXNPGZMMGWVPS-UHFFFAOYSA-N 1 0 244.338 2.516 10 30 BFEERO C[C@H]1C[C@H](S)C[N@@H+]1Cc1ccccc1 ZINC000307332892 352049143 /nfs/dbraw/zinc/04/91/43/352049143.db2.gz LBTDVLZVTGNQQM-JQWIXIFHSA-N 1 0 207.342 2.579 10 30 BFEERO C[C@H]1C[C@@H](S)C[N@@H+]1Cc1ccccc1 ZINC000307332889 352049573 /nfs/dbraw/zinc/04/95/73/352049573.db2.gz LBTDVLZVTGNQQM-CMPLNLGQSA-N 1 0 207.342 2.579 10 30 BFEERO CC#CC[C@H]([NH3+])c1cscc1Br ZINC000404777337 352240035 /nfs/dbraw/zinc/24/00/35/352240035.db2.gz GEJWWYXZULRMAQ-VIFPVBQESA-N 1 0 244.157 2.924 10 30 BFEERO CCCC[C@H](C[NH3+])Nc1cccc(F)c1C#N ZINC000130536249 363183653 /nfs/dbraw/zinc/18/36/53/363183653.db2.gz FZYNSMDATLFUDY-SNVBAGLBSA-N 1 0 235.306 2.627 10 30 BFEERO CC(C)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000164199671 352567016 /nfs/dbraw/zinc/56/70/16/352567016.db2.gz WCKRYJVRJGDTJG-UHFFFAOYSA-N 1 0 208.692 2.710 10 30 BFEERO C=CCn1c(N)c(CC)[nH+]c1C1CCCC1 ZINC000105188662 188052051 /nfs/dbraw/zinc/05/20/51/188052051.db2.gz PKSZZRIGLAKRHB-UHFFFAOYSA-N 1 0 219.332 2.871 10 30 BFEERO C=CC[C@H]([NH3+])c1occc1Br ZINC000128388798 353290743 /nfs/dbraw/zinc/29/07/43/353290743.db2.gz FZMPJQPFNMPFSH-ZETCQYMHSA-N 1 0 216.078 2.618 10 30 BFEERO CC(C)[N@H+](CCCC#N)Cc1ccccc1N ZINC000035365814 188285531 /nfs/dbraw/zinc/28/55/31/188285531.db2.gz GONMIFVHHROVER-UHFFFAOYSA-N 1 0 231.343 2.783 10 30 BFEERO C=C(C)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000336773103 353330586 /nfs/dbraw/zinc/33/05/86/353330586.db2.gz YRBXTRBPJHXWCQ-GFCCVEGCSA-N 1 0 225.719 2.539 10 30 BFEERO CCCCCCC[NH2+]CCC(=O)N[C@H](C)CC ZINC000103095633 188323907 /nfs/dbraw/zinc/32/39/07/188323907.db2.gz KZJFIWCVQVSUSI-CYBMUJFWSA-N 1 0 242.407 2.851 10 30 BFEERO C=C(Cl)COc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745559 188361187 /nfs/dbraw/zinc/36/11/87/188361187.db2.gz SLEYMEKYUWJDPP-MRVPVSSYSA-N 1 0 229.682 2.977 10 30 BFEERO C=C[C@@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745499 188361976 /nfs/dbraw/zinc/36/19/76/188361976.db2.gz BJQCYEAUVGSAIK-BDAKNGLRSA-N 1 0 209.264 2.799 10 30 BFEERO CC(C)[C@H](C)[N@H+](C)Cc1ccccc1C#CCO ZINC000049618574 188399902 /nfs/dbraw/zinc/39/99/02/188399902.db2.gz DKCMDUSEGCSFJU-AWEZNQCLSA-N 1 0 245.366 2.507 10 30 BFEERO C=CCCCCC[N@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000193350907 353584814 /nfs/dbraw/zinc/58/48/14/353584814.db2.gz JWPMHUDNSCFNCO-CQSZACIVSA-N 1 0 247.386 2.956 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOC1CCCC1 ZINC000104442658 181058993 /nfs/dbraw/zinc/05/89/93/181058993.db2.gz ZLKGGLCLKUSRJJ-JSGCOSHPSA-N 1 0 236.359 2.618 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000054824078 181059002 /nfs/dbraw/zinc/05/90/02/181059002.db2.gz CCDFAIDCXBATNL-AAEUAGOBSA-N 1 0 234.368 2.963 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000054823652 181059944 /nfs/dbraw/zinc/05/99/44/181059944.db2.gz BRVBHKWXBOHCHN-JSGCOSHPSA-N 1 0 232.302 2.650 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000054823651 181060131 /nfs/dbraw/zinc/06/01/31/181060131.db2.gz BRVBHKWXBOHCHN-GXTWGEPZSA-N 1 0 232.302 2.650 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CCOCC2 ZINC000305973854 181060942 /nfs/dbraw/zinc/06/09/42/181060942.db2.gz GYZTUNOJUAXYON-MJBXVCDLSA-N 1 0 248.370 2.618 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000061892564 181061160 /nfs/dbraw/zinc/06/11/60/181061160.db2.gz BFPILUKLHGIJES-SMDDNHRTSA-N 1 0 239.322 2.950 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000054826564 181068540 /nfs/dbraw/zinc/06/85/40/181068540.db2.gz JMYUXRINLAENDV-NEPJUHHUSA-N 1 0 220.341 2.572 10 30 BFEERO N#Cc1c(F)cccc1Oc1ccccc1C[NH3+] ZINC000075881691 181077648 /nfs/dbraw/zinc/07/76/48/181077648.db2.gz IHIAYVZJIYOIHL-UHFFFAOYSA-N 1 0 242.253 2.948 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@@H]1CCCC[C@@H]1[NH3+] ZINC000052858642 181087329 /nfs/dbraw/zinc/08/73/29/181087329.db2.gz MDWTVTHOWZXQMU-WCQYABFASA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000335583103 181126438 /nfs/dbraw/zinc/12/64/38/181126438.db2.gz VDKVFCHGRVLDLW-ONGXEEELSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1cccc(-c2cccc(C[NH3+])c2)c1 ZINC000005763234 181133822 /nfs/dbraw/zinc/13/38/22/181133822.db2.gz HTEIHEQZFBKKJR-UHFFFAOYSA-N 1 0 208.264 2.684 10 30 BFEERO N#Cc1ccccc1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899737 181149985 /nfs/dbraw/zinc/14/99/85/181149985.db2.gz BPWTZIIFAPFNIA-HNNXBMFYSA-N 1 0 238.290 2.637 10 30 BFEERO C=CC[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000036840808 166397153 /nfs/dbraw/zinc/39/71/53/166397153.db2.gz QNRFJBHJQSMBIN-UHFFFAOYSA-N 1 0 205.276 2.847 10 30 BFEERO C=C[C@@H]([NH3+])c1ccc(F)c(F)c1Br ZINC000229826623 355421221 /nfs/dbraw/zinc/42/12/21/355421221.db2.gz GUJPTQOOAWJZIA-SSDOTTSWSA-N 1 0 248.070 2.913 10 30 BFEERO C[C@@H]([NH3+])C#Cc1ccc(Cl)cc1Cl ZINC000167018092 355949639 /nfs/dbraw/zinc/94/96/39/355949639.db2.gz BSAVDPHFMWVMSV-SSDOTTSWSA-N 1 0 214.095 2.692 10 30 BFEERO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C[C@@H]1C ZINC000336196937 134127108 /nfs/dbraw/zinc/12/71/08/134127108.db2.gz FUZGHWMVPKJLEF-NEPJUHHUSA-N 1 0 206.333 2.658 10 30 BFEERO CCC1CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059181 538484577 /nfs/dbraw/zinc/48/45/77/538484577.db2.gz BPLACPPIWOFFCJ-GNRIBBGQSA-N 1 0 223.360 2.627 10 30 BFEERO CC(C)C1CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059958 538485022 /nfs/dbraw/zinc/48/50/22/538485022.db2.gz ONQNATDFINHXNW-PPWQZUPISA-N 1 0 237.387 2.873 10 30 BFEERO C=C(C)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000168045187 134155719 /nfs/dbraw/zinc/15/57/19/134155719.db2.gz RXHQZTDQFNDDFN-ZIAGYGMSSA-N 1 0 223.360 2.580 10 30 BFEERO CC[NH2+][C@H](C)CNc1cc(Cl)ccc1C#N ZINC000387453420 366328428 /nfs/dbraw/zinc/32/84/28/366328428.db2.gz NWZBQUMHMBFGIG-SECBINFHSA-N 1 0 237.734 2.622 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000129905315 357034555 /nfs/dbraw/zinc/03/45/55/357034555.db2.gz JFNCWEUYBWERLT-GFCCVEGCSA-N 1 0 205.301 2.970 10 30 BFEERO CC[N@@H+]1CC[C@@H]([C@H](C#N)c2ccccc2)C1 ZINC000584633697 358317256 /nfs/dbraw/zinc/31/72/56/358317256.db2.gz HGQBYODEQKBUSF-ZIAGYGMSSA-N 1 0 214.312 2.636 10 30 BFEERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000130546396 358631456 /nfs/dbraw/zinc/63/14/56/358631456.db2.gz KMYBTVMJXDRQJK-UXIGCNINSA-N 1 0 244.338 2.605 10 30 BFEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052272406 358777117 /nfs/dbraw/zinc/77/71/17/358777117.db2.gz KEOGYZAFKRVJNJ-BXUZGUMPSA-N 1 0 217.312 2.749 10 30 BFEERO C=C(C)C[C@H]([NH3+])[C@@H]1SCCS[C@H]1C ZINC000228281685 359663359 /nfs/dbraw/zinc/66/33/59/359663359.db2.gz UXXUGYLEOFUBRE-LPEHRKFASA-N 1 0 217.403 2.517 10 30 BFEERO C=C(Br)C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000306527611 360369593 /nfs/dbraw/zinc/36/95/93/360369593.db2.gz YBXRGUYTONDIFB-NBEYISGCSA-N 1 0 218.138 2.529 10 30 BFEERO C/C(=C/Cl)C[NH+]1CCC(C)(C#N)CC1 ZINC000393691118 360405689 /nfs/dbraw/zinc/40/56/89/360405689.db2.gz QDQYSHITQWDJQY-YFHOEESVSA-N 1 0 212.724 2.755 10 30 BFEERO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309528380 491150029 /nfs/dbraw/zinc/15/00/29/491150029.db2.gz CXQCPUXTGCWIMI-GXFFZTMASA-N 1 0 239.746 2.928 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCCC ZINC000309627718 491153131 /nfs/dbraw/zinc/15/31/31/491153131.db2.gz GFIGCROTLFFCNP-RDBSUJKOSA-N 1 0 225.376 2.872 10 30 BFEERO [NH3+]CC#Cc1ccc(COC2CCCCC2)cc1 ZINC000049610319 181345599 /nfs/dbraw/zinc/34/55/99/181345599.db2.gz RICKLLKWRWPSDA-UHFFFAOYSA-N 1 0 243.350 2.846 10 30 BFEERO [NH3+]CC#Cc1ccc(COC2CCCC2)c(F)c1 ZINC000049610337 181346951 /nfs/dbraw/zinc/34/69/51/181346951.db2.gz JDJNUZALYIBRRR-UHFFFAOYSA-N 1 0 247.313 2.595 10 30 BFEERO N#C[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000675060743 541464131 /nfs/dbraw/zinc/46/41/31/541464131.db2.gz OCQGNUFMVSYPPB-KKUMJFAQSA-N 1 0 226.323 2.668 10 30 BFEERO CC[C@H](CC#N)[NH2+]C[C@H]1Cc2ccccc21 ZINC000085578205 368867506 /nfs/dbraw/zinc/86/75/06/368867506.db2.gz XNEFNMBZXMOARS-CHWSQXEVSA-N 1 0 214.312 2.608 10 30 BFEERO CCC[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000054827105 369100408 /nfs/dbraw/zinc/10/04/08/369100408.db2.gz YPMJRQBMOAVHPR-UKRRQHHQSA-N 1 0 249.402 2.533 10 30 BFEERO N#CCCCCCN1CCCC(F)(F)C1 ZINC000404866411 369437512 /nfs/dbraw/zinc/43/75/12/369437512.db2.gz WBHNVPVTUYARJC-UHFFFAOYSA-N 1 0 216.275 2.801 10 30 BFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000600951490 369578561 /nfs/dbraw/zinc/57/85/61/369578561.db2.gz KSBFMYARGNNTST-QWHCGFSZSA-N 1 0 249.745 2.764 10 30 BFEERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000251798826 369969735 /nfs/dbraw/zinc/96/97/35/369969735.db2.gz XUPZIZDOUNPMMQ-MDZLAQPJSA-N 1 0 234.368 2.961 10 30 BFEERO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CCO1 ZINC000215627703 371599758 /nfs/dbraw/zinc/59/97/58/371599758.db2.gz GNZKVNNMNACHNA-UPJWGTAASA-N 1 0 236.359 2.616 10 30 BFEERO Cc1nc(CC[NH2+][C@H]2CCCC[C@H]2C#N)cs1 ZINC000226384931 371657988 /nfs/dbraw/zinc/65/79/88/371657988.db2.gz XGURDSHTPICMQX-AAEUAGOBSA-N 1 0 249.383 2.666 10 30 BFEERO C[NH2+]CC#Cc1cc(Cl)ccc1Cl ZINC000229452162 372153386 /nfs/dbraw/zinc/15/33/86/372153386.db2.gz LZSUWDXFZKJBHC-UHFFFAOYSA-N 1 0 214.095 2.564 10 30 BFEERO C#CC(C)(C)[NH2+]Cc1ccc(Cl)cc1 ZINC000069678397 373584638 /nfs/dbraw/zinc/58/46/38/373584638.db2.gz PHQDZXDRCWKVEL-UHFFFAOYSA-N 1 0 207.704 2.841 10 30 BFEERO CCC[N@H+](CCCC#N)Cc1cccc(N)c1 ZINC000035365034 169153734 /nfs/dbraw/zinc/15/37/34/169153734.db2.gz DPGVMQYGKADSNY-UHFFFAOYSA-N 1 0 231.343 2.785 10 30 BFEERO CCC[NH+]1CCC(C#N)(Nc2ccccc2)CC1 ZINC000037935248 169186970 /nfs/dbraw/zinc/18/69/70/169186970.db2.gz NNPNNMGGTOGXBT-UHFFFAOYSA-N 1 0 243.354 2.867 10 30 BFEERO CCCN[C@H](C#N)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000062369333 169284020 /nfs/dbraw/zinc/28/40/20/169284020.db2.gz DBEQMWOWHDXGEK-MJBXVCDLSA-N 1 0 237.391 2.531 10 30 BFEERO CC[C@@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049617174 170724567 /nfs/dbraw/zinc/72/45/67/170724567.db2.gz GSAVFFKYFBECMU-CQSZACIVSA-N 1 0 245.366 2.651 10 30 BFEERO C=CC[C@@]1(c2cccc(O)c2)CC[N@@H+](C)C1 ZINC000003602429 384021031 /nfs/dbraw/zinc/02/10/31/384021031.db2.gz QJBSWGUVFSZSSA-CQSZACIVSA-N 1 0 217.312 2.542 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000227598471 134387008 /nfs/dbraw/zinc/38/70/08/134387008.db2.gz LHURWZQNLVKFEK-SMDDNHRTSA-N 1 0 232.302 2.976 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000165235410 384408961 /nfs/dbraw/zinc/40/89/61/384408961.db2.gz SDFKZXXNRXFAPR-JOYOIKCWSA-N 1 0 220.341 2.898 10 30 BFEERO C=CCN(CC=C)CP(=O)(OCC)OCC ZINC000143963314 384963692 /nfs/dbraw/zinc/96/36/92/384963692.db2.gz HJDDLKXKJBTCFS-UHFFFAOYSA-N 1 0 247.275 2.884 10 30 BFEERO C[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000252982214 385579599 /nfs/dbraw/zinc/57/95/99/385579599.db2.gz VJBNIXAELKDTBV-DRZSPHRISA-N 1 0 206.333 2.847 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000231674747 385776713 /nfs/dbraw/zinc/77/67/13/385776713.db2.gz ASQSOIHYXJAOFN-JSGCOSHPSA-N 1 0 244.338 2.845 10 30 BFEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000164661181 386186121 /nfs/dbraw/zinc/18/61/21/386186121.db2.gz SLOILYQFIZESEO-NWDGAFQWSA-N 1 0 219.332 2.598 10 30 BFEERO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000164660953 386186737 /nfs/dbraw/zinc/18/67/37/386186737.db2.gz SLOILYQFIZESEO-VXGBXAGGSA-N 1 0 219.332 2.598 10 30 BFEERO C[C@H](CCC[NH3+])Nc1ccc(Cl)cc1C#N ZINC000309333746 386139168 /nfs/dbraw/zinc/13/91/68/386139168.db2.gz UNKISHBJSAQBME-SECBINFHSA-N 1 0 237.734 2.751 10 30 BFEERO C#CC[N@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124768054 386692417 /nfs/dbraw/zinc/69/24/17/386692417.db2.gz YQLXMNLDWFKDKO-GFCCVEGCSA-N 1 0 203.285 2.748 10 30 BFEERO C=CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000019875994 386784837 /nfs/dbraw/zinc/78/48/37/386784837.db2.gz DJYIZQKANOKOMW-JTQLQIEISA-N 1 0 221.300 2.540 10 30 BFEERO C=CC[NH2+]Cc1cn(CC)c2ccccc12 ZINC000020935124 386810538 /nfs/dbraw/zinc/81/05/38/386810538.db2.gz RSZLLEYGIMFQIF-UHFFFAOYSA-N 1 0 214.312 2.937 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1c(F)ccc(OC)c1F ZINC000575438139 387115827 /nfs/dbraw/zinc/11/58/27/387115827.db2.gz FMMNFXLOZZECJA-SECBINFHSA-N 1 0 227.254 2.939 10 30 BFEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054824257 387829176 /nfs/dbraw/zinc/82/91/76/387829176.db2.gz DLSSNFAFXPWEIT-ZIAGYGMSSA-N 1 0 214.312 2.777 10 30 BFEERO C(#Cc1ccccc1)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089327 388140195 /nfs/dbraw/zinc/14/01/95/388140195.db2.gz NUXXIQJDYSRLHH-ARFHVFGLSA-N 1 0 225.335 2.816 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000134003348 388391175 /nfs/dbraw/zinc/39/11/75/388391175.db2.gz YODWIDWWGODQCX-ZDMBXUJBSA-N 1 0 218.275 2.756 10 30 BFEERO C=CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000134927475 388481592 /nfs/dbraw/zinc/48/15/92/388481592.db2.gz LLYOAFWHEPNGGJ-MELADBBJSA-N 1 0 225.376 2.992 10 30 BFEERO CC(C)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500146 256795241 /nfs/dbraw/zinc/79/52/41/256795241.db2.gz AFWDFADWIGMAMS-VIFPVBQESA-N 1 0 208.330 2.754 10 30 BFEERO CC(C)([NH3+])C#Cc1cccc(Br)c1 ZINC000575494527 388955043 /nfs/dbraw/zinc/95/50/43/388955043.db2.gz YKZLINUXXLTACZ-UHFFFAOYSA-N 1 0 238.128 2.538 10 30 BFEERO C=C(C)[C@@H]([NH3+])c1occc1Br ZINC000575508436 388993276 /nfs/dbraw/zinc/99/32/76/388993276.db2.gz QQJJMJFUMBBWRN-SSDOTTSWSA-N 1 0 216.078 2.618 10 30 BFEERO N#Cc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000336152046 134104359 /nfs/dbraw/zinc/10/43/59/134104359.db2.gz APQIXSXGWJPEMU-KGLIPLIRSA-N 1 0 212.296 2.543 10 30 BFEERO C=CCCCCC[N@H+]1CCCC[C@H](CO)C1 ZINC000373225773 134233548 /nfs/dbraw/zinc/23/35/48/134233548.db2.gz AZWRHEXSZCUBQP-AWEZNQCLSA-N 1 0 225.376 2.827 10 30 BFEERO C=CCCCN1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000303520642 134234353 /nfs/dbraw/zinc/23/43/53/134234353.db2.gz UENLNOHMMKKANB-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C=CC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180649815 134330708 /nfs/dbraw/zinc/33/07/08/134330708.db2.gz PKGURWBJZTYGEB-GFCCVEGCSA-N 1 0 227.311 2.709 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000226616953 134368279 /nfs/dbraw/zinc/36/82/79/134368279.db2.gz IJOQXGSAUVOYAB-XHSDSOJGSA-N 1 0 240.350 2.826 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227490810 134381290 /nfs/dbraw/zinc/38/12/90/134381290.db2.gz SGMXAJNPHLBGIU-KCQAQPDRSA-N 1 0 226.323 2.608 10 30 BFEERO C#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194112822 134820111 /nfs/dbraw/zinc/82/01/11/134820111.db2.gz CPQVKJRCCMMMJE-RBSFLKMASA-N 1 0 247.382 2.727 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000250845772 135060092 /nfs/dbraw/zinc/06/00/92/135060092.db2.gz IJOQXGSAUVOYAB-JYJNAYRXSA-N 1 0 240.350 2.826 10 30 BFEERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000251841309 135078749 /nfs/dbraw/zinc/07/87/49/135078749.db2.gz OEVQLIAZLSPMBS-NDBYEHHHSA-N 1 0 206.333 2.847 10 30 BFEERO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000086857383 135099526 /nfs/dbraw/zinc/09/95/26/135099526.db2.gz PMQOFCVMRQZXKO-WOPDTQHZSA-N 1 0 206.333 2.847 10 30 BFEERO CCC[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(OC)c1 ZINC000262425363 135295949 /nfs/dbraw/zinc/29/59/49/135295949.db2.gz LRIYNXANCGORTR-ZWNOBZJWSA-N 1 0 247.342 2.610 10 30 BFEERO CCC[C@@H]1C[C@@H]1NC(=[NH2+])Nc1cccc(C)c1 ZINC000262485939 135301829 /nfs/dbraw/zinc/30/18/29/135301829.db2.gz WOOCAWPDVDEQHD-YPMHNXCESA-N 1 0 231.343 2.910 10 30 BFEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])NCC1CCC1 ZINC000263123890 135334360 /nfs/dbraw/zinc/33/43/60/135334360.db2.gz MHMAOSTWXZLLKM-JSGCOSHPSA-N 1 0 237.391 2.516 10 30 BFEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263161631 135341190 /nfs/dbraw/zinc/34/11/90/135341190.db2.gz QQEGWQIQNYJYIF-RISCZKNCSA-N 1 0 246.358 2.633 10 30 BFEERO C#CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000019875444 166188057 /nfs/dbraw/zinc/18/80/57/166188057.db2.gz APODKAPBTNAVAU-UHFFFAOYSA-N 1 0 219.287 2.979 10 30 BFEERO C#CC[NH2+]C[C@H](C)O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000053583950 166188937 /nfs/dbraw/zinc/18/89/37/166188937.db2.gz YNQRUJKKGJHTGT-MELADBBJSA-N 1 0 237.387 2.829 10 30 BFEERO C#CC[NH2+][C@@H](C)c1ccc(CCC)cc1 ZINC000019875619 166190430 /nfs/dbraw/zinc/19/04/30/166190430.db2.gz NHUDXEWOPFVZAG-LBPRGKRZSA-N 1 0 201.313 2.923 10 30 BFEERO C(#Cc1ccccc1)COCC[C@H]1CCCC[NH2+]1 ZINC000051862304 166225223 /nfs/dbraw/zinc/22/52/23/166225223.db2.gz LEEMIECGTDXMQN-MRXNPFEDSA-N 1 0 243.350 2.587 10 30 BFEERO C=CCCOCc1oc2ccccc2c1C[NH3+] ZINC000052599564 166271159 /nfs/dbraw/zinc/27/11/59/166271159.db2.gz WMOFPMMJVDADSJ-UHFFFAOYSA-N 1 0 231.295 2.984 10 30 BFEERO C=CCN(CC=C)C[C@@H]1CCC[C@@H]1[NH2+]CCC ZINC000053866170 166336068 /nfs/dbraw/zinc/33/60/68/166336068.db2.gz NQMUOOTUWATTEG-GJZGRUSLSA-N 1 0 236.403 2.829 10 30 BFEERO C=CC[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000036840803 166397646 /nfs/dbraw/zinc/39/76/46/166397646.db2.gz JHQKMMSBGXXOLR-UHFFFAOYSA-N 1 0 205.276 2.847 10 30 BFEERO C=CC[NH2+]CCN(C)[C@@H](C)c1ccccc1F ZINC000062021042 166398414 /nfs/dbraw/zinc/39/84/14/166398414.db2.gz HLGGKYLNWSFLAV-LBPRGKRZSA-N 1 0 236.334 2.594 10 30 BFEERO C=CC[NH2+]CCOc1ccccc1OCCC ZINC000053568030 166398732 /nfs/dbraw/zinc/39/87/32/166398732.db2.gz NALJEPZYSMNSTR-UHFFFAOYSA-N 1 0 235.327 2.630 10 30 BFEERO CC1(C[NH2+]Cc2cccnc2C#N)CCCC1 ZINC000104432315 168043350 /nfs/dbraw/zinc/04/33/50/168043350.db2.gz IOFQOQOZLVLWIT-UHFFFAOYSA-N 1 0 229.327 2.623 10 30 BFEERO CC1([NH2+][C@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000054828178 168064811 /nfs/dbraw/zinc/06/48/11/168064811.db2.gz CWEKDLTXJHTZAH-NEPJUHHUSA-N 1 0 206.333 2.991 10 30 BFEERO CCC(C#CC[NH+]1CCCC1)(CC)OCCC#N ZINC000005791997 168260628 /nfs/dbraw/zinc/26/06/28/168260628.db2.gz PYJJIKBLSNBDQH-UHFFFAOYSA-N 1 0 248.370 2.575 10 30 BFEERO CCC(C)(C)OCc1ccccc1C#CC[NH3+] ZINC000049610949 168303950 /nfs/dbraw/zinc/30/39/50/168303950.db2.gz ZLGUQLOZOBQKDW-UHFFFAOYSA-N 1 0 231.339 2.702 10 30 BFEERO CCN(C[C@H](C)C#N)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000042447292 169889257 /nfs/dbraw/zinc/88/92/57/169889257.db2.gz AYRLGDDQPOQLOC-CHWSQXEVSA-N 1 0 245.370 2.953 10 30 BFEERO CC[C@@H]([NH3+])[C@@H](c1ccc(C)cc1)N(C)CCC#N ZINC000042913387 170866571 /nfs/dbraw/zinc/86/65/71/170866571.db2.gz HSHJODGMBKLIKM-HUUCEWRRSA-N 1 0 245.370 2.619 10 30 BFEERO CC[C@H](C)[N@H+](C)Cc1ccccc1C#CCCO ZINC000049617173 171308705 /nfs/dbraw/zinc/30/87/05/171308705.db2.gz FAVCWWQKYFCOIU-AWEZNQCLSA-N 1 0 245.366 2.651 10 30 BFEERO CC[C@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)CCC#N ZINC000042913389 171488370 /nfs/dbraw/zinc/48/83/70/171488370.db2.gz HSHJODGMBKLIKM-GJZGRUSLSA-N 1 0 245.370 2.619 10 30 BFEERO C[N@@H+]1CCCC[C@H]1CNc1ccc(F)c(C#N)c1 ZINC000054243897 173009082 /nfs/dbraw/zinc/00/90/82/173009082.db2.gz VBINVWKGAAZIKF-ZDUSSCGKSA-N 1 0 247.317 2.594 10 30 BFEERO C[N@H+]1[C@@H]2CC[C@H]1CC(C#N)(Nc1ccccc1)C2 ZINC000037935207 173206343 /nfs/dbraw/zinc/20/63/43/173206343.db2.gz DXBZZINCFNEMTP-YIONKMFJSA-N 1 0 241.338 2.617 10 30 BFEERO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000054823416 175093022 /nfs/dbraw/zinc/09/30/22/175093022.db2.gz ZCZKZVGOFPULFD-ZFWWWQNUSA-N 1 0 244.338 2.520 10 30 BFEERO COc1cccc(CCCC[NH2+]CCS)c1 ZINC000096328056 175251293 /nfs/dbraw/zinc/25/12/93/175251293.db2.gz APYIAOCHYPWION-UHFFFAOYSA-N 1 0 239.384 2.537 10 30 BFEERO C[C@@H]([NH3+])c1cc(Cl)ccc1O[C@H](C)C#N ZINC000050209551 176555170 /nfs/dbraw/zinc/55/51/70/176555170.db2.gz UBPTXZVXFDDFIC-HTQZYQBOSA-N 1 0 224.691 2.651 10 30 BFEERO C[C@H]([NH3+])Cc1ccccc1OCCCCC#N ZINC000049579121 176762500 /nfs/dbraw/zinc/76/25/00/176762500.db2.gz UJGFPKHRWZOOJZ-LBPRGKRZSA-N 1 0 232.327 2.649 10 30 BFEERO C[C@H]([NH3+])c1ccc(N(CCC#N)C2CC2)cc1 ZINC000042531466 176776929 /nfs/dbraw/zinc/77/69/29/176776929.db2.gz YSOGVJYTDLBFFR-NSHDSACASA-N 1 0 229.327 2.589 10 30 BFEERO CC(C)(C)OCCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000595702978 487876203 /nfs/dbraw/zinc/87/62/03/487876203.db2.gz ZKGJEEQDWMFHOP-OLZOCXBDSA-N 1 0 238.375 2.864 10 30 BFEERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000070351297 323188592 /nfs/dbraw/zinc/18/85/92/323188592.db2.gz DYRIRVPXPWZWPF-HUBLWGQQSA-N 1 0 244.338 2.776 10 30 BFEERO N#Cc1ccc(NCC2CC[NH2+]CC2)cc1Cl ZINC000061847024 324221863 /nfs/dbraw/zinc/22/18/63/324221863.db2.gz BLQYDWJWYYLIDZ-UHFFFAOYSA-N 1 0 249.745 2.623 10 30 BFEERO C=C(C[NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000134364114 487980018 /nfs/dbraw/zinc/98/00/18/487980018.db2.gz QXKBZEMRXJPZKA-HUUCEWRRSA-N 1 0 231.339 2.593 10 30 BFEERO CCO/[NH+]=C1\C[C@H](C)c2c1cccc2N ZINC000584645294 490182401 /nfs/dbraw/zinc/18/24/01/490182401.db2.gz HEKJNIWJNNFVSX-OOQSBHPRSA-N 1 0 204.273 2.517 10 30 BFEERO C=CCCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000303080898 534721721 /nfs/dbraw/zinc/72/17/21/534721721.db2.gz JNMUTFHEUHFCKY-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO CC1(C)C[C@H]1NC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261965207 534900550 /nfs/dbraw/zinc/90/05/50/534900550.db2.gz AYBBSHYXCJXWMV-CYBMUJFWSA-N 1 0 243.354 2.700 10 30 BFEERO CC(C)C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000301014359 528462308 /nfs/dbraw/zinc/46/23/08/528462308.db2.gz ZILJLVIYPNSCQA-XQQFMLRXSA-N 1 0 208.349 2.950 10 30 BFEERO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000251139115 535328194 /nfs/dbraw/zinc/32/81/94/535328194.db2.gz ITFAPHQBYSIWLZ-SRVKXCTJSA-N 1 0 206.333 2.847 10 30 BFEERO C=CC[NH2+]C[C@H](C)SCc1occc1C ZINC000757166282 582547765 /nfs/dbraw/zinc/54/77/65/582547765.db2.gz PWPVSXFYXFJNGA-NSHDSACASA-N 1 0 225.357 2.985 10 30 BFEERO CCCCCCCC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000108640371 582853161 /nfs/dbraw/zinc/85/31/61/582853161.db2.gz DYPMSLQPIZHYLK-STQMWFEESA-N 1 0 240.391 2.591 10 30 BFEERO CCCCCCCC(=O)N1CCC([NH2+]C)CC1 ZINC000102954995 587903900 /nfs/dbraw/zinc/90/39/00/587903900.db2.gz UZKQIGPTWKSXJS-UHFFFAOYSA-N 1 0 240.391 2.557 10 30 BFEERO C#CCCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000224309815 632027425 /nfs/dbraw/zinc/02/74/25/632027425.db2.gz XFTZQALJWWHIIC-NSHDSACASA-N 1 0 233.359 2.584 10 30 BFEERO CCCCCCCC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000108640369 632096233 /nfs/dbraw/zinc/09/62/33/632096233.db2.gz DYPMSLQPIZHYLK-QWHCGFSZSA-N 1 0 240.391 2.591 10 30 BFEERO C#Cc1ccc(C[NH2+][C@@H]2C[C@@H]2CCC)cc1 ZINC000310040203 634103491 /nfs/dbraw/zinc/10/34/91/634103491.db2.gz XQKSOZYRWNMOAO-LSDHHAIUSA-N 1 0 213.324 2.946 10 30 BFEERO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@H]1CCC ZINC000231674088 641192091 /nfs/dbraw/zinc/19/20/91/641192091.db2.gz RDGLUVAAUMZCOR-UKRRQHHQSA-N 1 0 243.350 2.977 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000231951102 641219718 /nfs/dbraw/zinc/21/97/18/641219718.db2.gz VZIVMXPVQBSAQH-JGVFFNPUSA-N 1 0 238.278 2.521 10 30 BFEERO C=C(Br)C[NH2+]CCc1ccccc1 ZINC000033866770 642412748 /nfs/dbraw/zinc/41/27/48/642412748.db2.gz VODKATDPEHXVQP-UHFFFAOYSA-N 1 0 240.144 2.727 10 30 BFEERO C=C(Cl)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000308187791 642487204 /nfs/dbraw/zinc/48/72/04/642487204.db2.gz KSIHJXIFEZKJRL-UWVGGRQHSA-N 1 0 205.704 2.857 10 30 BFEERO CSC1CC([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000708306238 711956030 /nfs/dbraw/zinc/95/60/30/711956030.db2.gz ZFOXAYLAEPFCIT-WNYYMSAVSA-N 1 0 224.373 2.552 10 30 BFEERO C#CCCC[NH+]1CCC(c2nccs2)CC1 ZINC000710765765 712256850 /nfs/dbraw/zinc/25/68/50/712256850.db2.gz GWXCTGVFZGTHOP-UHFFFAOYSA-N 1 0 234.368 2.736 10 30 BFEERO CCCCCCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000705954586 712138119 /nfs/dbraw/zinc/13/81/19/712138119.db2.gz QTSXLKMUYUXGRK-STQMWFEESA-N 1 0 240.391 2.591 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716543163 712567104 /nfs/dbraw/zinc/56/71/04/712567104.db2.gz GGMHVMFITMNFFS-BFHYXJOUSA-N 1 0 248.370 2.618 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716543179 712567137 /nfs/dbraw/zinc/56/71/37/712567137.db2.gz GGMHVMFITMNFFS-MJBXVCDLSA-N 1 0 248.370 2.618 10 30 BFEERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000380174748 712705747 /nfs/dbraw/zinc/70/57/47/712705747.db2.gz FGFWZZLSSRYYED-CYDGBPFRSA-N 1 0 206.333 2.703 10 30 BFEERO C=CC[C@H](C)[NH2+][C@H](COC)c1ccccc1 ZINC000234732026 136209929 /nfs/dbraw/zinc/20/99/29/136209929.db2.gz HUIVHRHHBRRCIZ-GXTWGEPZSA-N 1 0 219.328 2.928 10 30 BFEERO C=C(C)COCC[NH2+][C@@H](COC)c1ccccc1 ZINC000234742383 136210082 /nfs/dbraw/zinc/21/00/82/136210082.db2.gz YROBPFYMFUMWFJ-HNNXBMFYSA-N 1 0 249.354 2.556 10 30 BFEERO C=C(C)CN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000162098980 538920888 /nfs/dbraw/zinc/92/08/88/538920888.db2.gz OMVACDWZVFAVPZ-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO CCC(CC)C[N@H+](CC)CCCC/C(N)=N\O ZINC000049580286 168348353 /nfs/dbraw/zinc/34/83/53/168348353.db2.gz ZNYLGNPFXXHHKY-UHFFFAOYSA-N 1 0 243.395 2.661 10 30 BFEERO Cc1ccc(C#N)c(NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000051580216 178364588 /nfs/dbraw/zinc/36/45/88/178364588.db2.gz SBSUWZGMZIELQP-ZDUSSCGKSA-N 1 0 243.354 2.620 10 30 BFEERO Cc1ccc(C#N)cc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000054243871 178367285 /nfs/dbraw/zinc/36/72/85/178367285.db2.gz WNJNEYOYEDRJCC-AWEZNQCLSA-N 1 0 243.354 2.620 10 30 BFEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(Cl)cc1C#N ZINC000320494766 342734311 /nfs/dbraw/zinc/73/43/11/342734311.db2.gz IRZFAOAJDYOVJR-DTWKUNHWSA-N 1 0 237.734 2.749 10 30 BFEERO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000381512147 539002914 /nfs/dbraw/zinc/00/29/14/539002914.db2.gz XJYMBNFBHPVEJB-RDBSUJKOSA-N 1 0 223.360 2.624 10 30 BFEERO CCC[C@H]([NH3+])C#Cc1occc1Br ZINC000229904055 342854595 /nfs/dbraw/zinc/85/45/95/342854595.db2.gz BMUFXSTWRODMOD-QMMMGPOBSA-N 1 0 242.116 2.521 10 30 BFEERO CC(C)NC(=[NH2+])Cc1cccc(Cl)c1 ZINC000059924592 342875991 /nfs/dbraw/zinc/87/59/91/342875991.db2.gz XCAXUZNEXGMZCM-UHFFFAOYSA-N 1 0 210.708 2.648 10 30 BFEERO Cc1cc(C#N)ccc1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000165203443 342882564 /nfs/dbraw/zinc/88/25/64/342882564.db2.gz DCRNDHQOZCXIFD-DOMZBBRYSA-N 1 0 244.338 2.524 10 30 BFEERO C#C[C@H]([NH3+])c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000407076985 342891683 /nfs/dbraw/zinc/89/16/83/342891683.db2.gz NAPXQHGBULEVPS-LBPRGKRZSA-N 1 0 246.310 2.667 10 30 BFEERO C#CC[C@H]([NH3+])c1cc(Br)ccc1F ZINC000165325590 342911337 /nfs/dbraw/zinc/91/13/37/342911337.db2.gz GJXUOTWXZXCKKV-JTQLQIEISA-N 1 0 242.091 2.611 10 30 BFEERO C=C(CC)C[NH2+][C@H]1CCc2c1cccc2O ZINC000313488023 259335771 /nfs/dbraw/zinc/33/57/71/259335771.db2.gz ZRDDETFPGQKJEV-ZDUSSCGKSA-N 1 0 217.312 2.935 10 30 BFEERO C=CCCC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000398103605 343066555 /nfs/dbraw/zinc/06/65/55/343066555.db2.gz UOJWIGYFQMRCBD-RYUDHWBXSA-N 1 0 213.365 2.728 10 30 BFEERO C[C@H]1CC(C=O)C[C@H](C)[NH+]1CC1CCCC1 ZINC000584882920 343085621 /nfs/dbraw/zinc/08/56/21/343085621.db2.gz AJVBIBQNJSVIJE-RYUDHWBXSA-N 1 0 223.360 2.865 10 30 BFEERO C=C(C)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000160762819 343203882 /nfs/dbraw/zinc/20/38/82/343203882.db2.gz BCKHXUDCBGEZQI-UHFFFAOYSA-N 1 0 205.345 2.977 10 30 BFEERO O[NH+]=C(NC1CCCCC1)NC1CCCCC1 ZINC000023485267 187255205 /nfs/dbraw/zinc/25/52/05/187255205.db2.gz JVYVFTIZPYYVRS-UHFFFAOYSA-N 1 0 239.363 2.576 10 30 BFEERO CC(C)[N@H+](CCCC#N)Cc1ccc(N)cc1 ZINC000035365422 187258514 /nfs/dbraw/zinc/25/85/14/187258514.db2.gz MYDCSXCKUPDBIJ-UHFFFAOYSA-N 1 0 231.343 2.783 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000054829569 136372955 /nfs/dbraw/zinc/37/29/55/136372955.db2.gz FMBJKTYVPDQJAZ-UKRRQHHQSA-N 1 0 244.338 2.737 10 30 BFEERO C#CC[NH2+]C[C@H](C)O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000053583943 166188877 /nfs/dbraw/zinc/18/88/77/166188877.db2.gz YNQRUJKKGJHTGT-IHRRRGAJSA-N 1 0 237.387 2.829 10 30 BFEERO CC(C)N(CCC#N)c1ccccc1[C@H](C)[NH3+] ZINC000042529008 187265387 /nfs/dbraw/zinc/26/53/87/187265387.db2.gz FYJMUIWLMZEVQW-LBPRGKRZSA-N 1 0 231.343 2.835 10 30 BFEERO CC(C)[N@@H+]1CC[C@H](c2ccc(C#N)cc2)C1 ZINC000616613445 349837467 /nfs/dbraw/zinc/83/74/67/349837467.db2.gz JXHKPMDMWGIGBG-AWEZNQCLSA-N 1 0 214.312 2.756 10 30 BFEERO C#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000306396890 343773468 /nfs/dbraw/zinc/77/34/68/343773468.db2.gz IAJDCJSYGNJPAR-ZFWWWQNUSA-N 1 0 213.324 2.968 10 30 BFEERO C#C[C@H](CC)Nc1cc[nH+]c(C)c1Cl ZINC000306562349 343856065 /nfs/dbraw/zinc/85/60/65/343856065.db2.gz UJOBBWAJLJIXJS-SECBINFHSA-N 1 0 208.692 2.867 10 30 BFEERO C=C(Br)C[NH2+]C1(C)CCCC1 ZINC000042186898 187354895 /nfs/dbraw/zinc/35/48/95/187354895.db2.gz XVVGKDCNNBQNMW-UHFFFAOYSA-N 1 0 218.138 2.817 10 30 BFEERO N#Cc1ccc(Oc2ccc(C[NH3+])cc2)c(F)c1 ZINC000075881699 187278116 /nfs/dbraw/zinc/27/81/16/187278116.db2.gz STJYMHBUXMKXRL-UHFFFAOYSA-N 1 0 242.253 2.948 10 30 BFEERO N#Cc1ccc(NC[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000061847012 344069145 /nfs/dbraw/zinc/06/91/45/344069145.db2.gz UAIUVCZLEQLMOB-LBPRGKRZSA-N 1 0 249.745 2.766 10 30 BFEERO C=CC[NH2+]C[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000053585824 187358230 /nfs/dbraw/zinc/35/82/30/187358230.db2.gz UGWULVPEQFNBIF-GFCCVEGCSA-N 1 0 231.339 2.718 10 30 BFEERO CC1(C)CC([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000395201544 344124400 /nfs/dbraw/zinc/12/44/00/344124400.db2.gz GKVFSKZBMSDANT-PWSUYJOCSA-N 1 0 206.333 2.847 10 30 BFEERO C#C[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000236301550 344354117 /nfs/dbraw/zinc/35/41/17/344354117.db2.gz BSZJLJBDNXUREB-RXMQYKEDSA-N 1 0 206.097 2.688 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000054822797 344457053 /nfs/dbraw/zinc/45/70/53/344457053.db2.gz QDNWJBMSFYRVHD-WCQYABFASA-N 1 0 206.333 2.991 10 30 BFEERO C#CC[C@@H]([NH3+])c1csc(Br)c1 ZINC000158353908 344613653 /nfs/dbraw/zinc/61/36/53/344613653.db2.gz YPODGJKVPLBFIG-SSDOTTSWSA-N 1 0 230.130 2.534 10 30 BFEERO C#CCC[C@H]([NH3+])c1cccc(F)c1Cl ZINC000127873343 344670870 /nfs/dbraw/zinc/67/08/70/344670870.db2.gz YBVKPHZOCSDQET-JTQLQIEISA-N 1 0 211.667 2.892 10 30 BFEERO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000235086601 344775228 /nfs/dbraw/zinc/77/52/28/344775228.db2.gz WDTMPWBQLUPLAJ-GHMZBOCLSA-N 1 0 224.373 2.554 10 30 BFEERO CC(C)[C@@H]([NH3+])CNc1ccc(Cl)cc1C#N ZINC000070010913 345272004 /nfs/dbraw/zinc/27/20/04/345272004.db2.gz BQYMSHBONRFDIZ-NSHDSACASA-N 1 0 237.734 2.607 10 30 BFEERO C[C@@H](C#N)c1ccc(C[NH+]2CCCC2)cc1 ZINC000140245660 345852659 /nfs/dbraw/zinc/85/26/59/345852659.db2.gz CWJPMZHQFMTSOB-LBPRGKRZSA-N 1 0 214.312 2.909 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309517779 347090749 /nfs/dbraw/zinc/09/07/49/347090749.db2.gz SGNBMSGLHHJUOA-CRWXNKLISA-N 1 0 218.344 2.847 10 30 BFEERO C[C@H](C#N)C[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000380035223 365816384 /nfs/dbraw/zinc/81/63/84/365816384.db2.gz RVODEVGXCPUREB-ZJUUUORDSA-N 1 0 208.349 2.806 10 30 BFEERO C=CCCC[C@@H](C)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000340826359 166246626 /nfs/dbraw/zinc/24/66/26/166246626.db2.gz XWICOODBAKOHII-CABCVRRESA-N 1 0 236.403 2.901 10 30 BFEERO Cc1cccc(OCC[NH2+]CCCCC#N)c1 ZINC000049899812 179168384 /nfs/dbraw/zinc/16/83/84/179168384.db2.gz DLAOWQDFYVHQLL-UHFFFAOYSA-N 1 0 232.327 2.657 10 30 BFEERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC000309604608 347120312 /nfs/dbraw/zinc/12/03/12/347120312.db2.gz YIRMJLIURNPQKH-TUAOUCFPSA-N 1 0 218.300 2.931 10 30 BFEERO Cc1cccc2c1[C@@H]([C@@H](C)S)[NH2+]CC2 ZINC000075640750 179222551 /nfs/dbraw/zinc/22/25/51/179222551.db2.gz MNTOHAMTODEWJP-BXKDBHETSA-N 1 0 207.342 2.500 10 30 BFEERO Cc1cccc2c1[C@H](CCS)[NH2+]CC2 ZINC000075640807 179224706 /nfs/dbraw/zinc/22/47/06/179224706.db2.gz JQVACCRXEYFPMY-NSHDSACASA-N 1 0 207.342 2.502 10 30 BFEERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000042207170 179337752 /nfs/dbraw/zinc/33/77/52/179337752.db2.gz ZWSCVOSYJDBUQN-JQWIXIFHSA-N 1 0 202.301 2.805 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000597195427 348672339 /nfs/dbraw/zinc/67/23/39/348672339.db2.gz IDJBVOPKYILKDM-AAEUAGOBSA-N 1 0 218.344 2.991 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000597081637 348658570 /nfs/dbraw/zinc/65/85/70/348658570.db2.gz CFTYRDOXNBXCIY-TUAOUCFPSA-N 1 0 204.317 2.601 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000597195252 348672141 /nfs/dbraw/zinc/67/21/41/348672141.db2.gz FJYAHATWKIWHDY-YNEHKIRRSA-N 1 0 238.400 2.944 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000054824940 348668507 /nfs/dbraw/zinc/66/85/07/348668507.db2.gz KMJXFSMGSMEIET-STQMWFEESA-N 1 0 206.333 2.849 10 30 BFEERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000597195951 348673254 /nfs/dbraw/zinc/67/32/54/348673254.db2.gz PCTUUGVHJZJBSR-FIQHERPVSA-N 1 0 224.373 2.552 10 30 BFEERO CC1(C)CC(C[NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000599415559 349167422 /nfs/dbraw/zinc/16/74/22/349167422.db2.gz MORDTWZKOSXFIE-NWDGAFQWSA-N 1 0 206.333 2.704 10 30 BFEERO C=C([C@H]([NH3+])c1csc(C)n1)C(F)(F)F ZINC000306702147 350851006 /nfs/dbraw/zinc/85/10/06/350851006.db2.gz HPPBOBDKUZGVFF-ZETCQYMHSA-N 1 0 222.235 2.570 10 30 BFEERO C[C@H](CS)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000306675617 350827856 /nfs/dbraw/zinc/82/78/56/350827856.db2.gz SXVJMFJRXIZEEK-SDDRHHMPSA-N 1 0 213.390 2.674 10 30 BFEERO C[C@@H]1CC[N@H+](CC2(CS)CC2)C[C@H]1C ZINC000253068264 350918858 /nfs/dbraw/zinc/91/88/58/350918858.db2.gz KQHLDGPASCXAAF-GHMZBOCLSA-N 1 0 213.390 2.674 10 30 BFEERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000086857381 351037664 /nfs/dbraw/zinc/03/76/64/351037664.db2.gz PMQOFCVMRQZXKO-UTUOFQBUSA-N 1 0 206.333 2.847 10 30 BFEERO CCCCCCC[C@](C)([NH2+][C@H](C)CC)C(N)=O ZINC000103111422 168657988 /nfs/dbraw/zinc/65/79/88/168657988.db2.gz GQYDEDMEQMJWRN-OCCSQVGLSA-N 1 0 242.407 2.979 10 30 BFEERO C=C(Br)C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000307243620 351749687 /nfs/dbraw/zinc/74/96/87/351749687.db2.gz KDVMCFDWDDUEHL-AEJSXWLSSA-N 1 0 230.149 2.673 10 30 BFEERO C[C@@H]([NH3+])c1ccccc1N(CCC#N)C1CC1 ZINC000042531452 187603767 /nfs/dbraw/zinc/60/37/67/187603767.db2.gz HZMCNAIRWQMYLZ-LLVKDONJSA-N 1 0 229.327 2.589 10 30 BFEERO C=C(C)COc1ccc(C[C@H](C)[NH3+])cc1OC ZINC000037727028 187633332 /nfs/dbraw/zinc/63/33/32/187633332.db2.gz NDBKVCBOIATFOM-NSHDSACASA-N 1 0 235.327 2.540 10 30 BFEERO C#CC[C@H]([NH3+])c1cscc1Br ZINC000404784648 352430457 /nfs/dbraw/zinc/43/04/57/352430457.db2.gz LIHQTIDKPXKXSW-QMMMGPOBSA-N 1 0 230.130 2.534 10 30 BFEERO CCCCCCCCCC(=O)NCCC[NH3+] ZINC000111489981 188006386 /nfs/dbraw/zinc/00/63/86/188006386.db2.gz PLJISUVFPNUOBK-UHFFFAOYSA-N 1 0 228.380 2.592 10 30 BFEERO C#CCCOc1cc(OC)ccc1C[NH2+]C(C)C ZINC000040904327 188043219 /nfs/dbraw/zinc/04/32/19/188043219.db2.gz QTUYQPWFCHSBPX-UHFFFAOYSA-N 1 0 247.338 2.595 10 30 BFEERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000336760025 353170064 /nfs/dbraw/zinc/17/00/64/353170064.db2.gz LWIVBMLPUFRRFO-RAIGVLPGSA-N 1 0 206.333 2.847 10 30 BFEERO C=CC[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000032013441 188233680 /nfs/dbraw/zinc/23/36/80/188233680.db2.gz ZOJNSLPKLKMHRZ-CQSZACIVSA-N 1 0 219.328 2.619 10 30 BFEERO C=C[C@H]([NH3+])c1ccc(Br)cc1C ZINC000161695505 353290270 /nfs/dbraw/zinc/29/02/70/353290270.db2.gz IQRFVGNHTZQVDK-JTQLQIEISA-N 1 0 226.117 2.943 10 30 BFEERO CCc1ccc(C(=O)/C=C/[n+]2ccccc2)cc1 ZINC000004276978 188276707 /nfs/dbraw/zinc/27/67/07/188276707.db2.gz ONEPPQANKMFCPU-JLHYYAGUSA-N 1 0 238.310 2.890 10 30 BFEERO CC(C)N(CCC#N)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000042529013 188294063 /nfs/dbraw/zinc/29/40/63/188294063.db2.gz IBQLCSOPJUAIIA-LLVKDONJSA-N 1 0 249.333 2.974 10 30 BFEERO C=C(C)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000253159495 353316808 /nfs/dbraw/zinc/31/68/08/353316808.db2.gz RXHQZTDQFNDDFN-UONOGXRCSA-N 1 0 223.360 2.580 10 30 BFEERO C=C(C)COc1c(C[C@H](C)[NH3+])cccc1OCC ZINC000037728401 188326074 /nfs/dbraw/zinc/32/60/74/188326074.db2.gz PQOYEHNEJVRIDE-LBPRGKRZSA-N 1 0 249.354 2.930 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cc(C)cc(Br)c1 ZINC000130099162 353339935 /nfs/dbraw/zinc/33/99/35/353339935.db2.gz FYVLDAQUNBANKV-LLVKDONJSA-N 1 0 238.128 2.651 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cc(Cl)cc(Cl)c1 ZINC000130275521 353345483 /nfs/dbraw/zinc/34/54/83/353345483.db2.gz QUXLOBNPWZJEAM-SNVBAGLBSA-N 1 0 214.095 2.887 10 30 BFEERO C[C@H](C#N)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227018671 363226103 /nfs/dbraw/zinc/22/61/03/363226103.db2.gz YIJGPSRQHPZYPK-IJLUTSLNSA-N 1 0 208.349 2.950 10 30 BFEERO C#CCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000045945530 188398790 /nfs/dbraw/zinc/39/87/90/188398790.db2.gz ZDJPWLGKIFPGNR-UHFFFAOYSA-N 1 0 217.312 2.587 10 30 BFEERO C=CCCCCC[N@H+]1[C@H](C)COC[C@@H]1C ZINC000193356057 324201302 /nfs/dbraw/zinc/20/13/02/324201302.db2.gz UVXPVZXNULJKIB-BETUJISGSA-N 1 0 211.349 2.842 10 30 BFEERO C=C(CC)CN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000313499706 491056382 /nfs/dbraw/zinc/05/63/82/491056382.db2.gz IKKLRRSIIITBTI-HUUCEWRRSA-N 1 0 236.403 2.901 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000054823158 181059562 /nfs/dbraw/zinc/05/95/62/181059562.db2.gz ZZLZONMNIKXXBP-JSGCOSHPSA-N 1 0 232.302 2.650 10 30 BFEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000054823804 181067719 /nfs/dbraw/zinc/06/77/19/181067719.db2.gz MAGUQQSBZBHXCL-HIFRSBDPSA-N 1 0 243.354 2.686 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1cccs1 ZINC000054824075 181068423 /nfs/dbraw/zinc/06/84/23/181068423.db2.gz CCDFAIDCXBATNL-DGCLKSJQSA-N 1 0 234.368 2.963 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000061892563 181068642 /nfs/dbraw/zinc/06/86/42/181068642.db2.gz BFPILUKLHGIJES-RISCZKNCSA-N 1 0 239.322 2.950 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000054824072 181069136 /nfs/dbraw/zinc/06/91/36/181069136.db2.gz AVTZATJPSRUBKH-PWSUYJOCSA-N 1 0 220.341 2.572 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000054825605 181070165 /nfs/dbraw/zinc/07/01/65/181070165.db2.gz QOQGAXWZFDDCPN-CHWSQXEVSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1F ZINC000054823649 181070343 /nfs/dbraw/zinc/07/03/43/181070343.db2.gz BRVBHKWXBOHCHN-TZMCWYRMSA-N 1 0 232.302 2.650 10 30 BFEERO N#Cc1cc(C[NH2+]Cc2ccccc2)ccc1F ZINC000083368232 181085779 /nfs/dbraw/zinc/08/57/79/181085779.db2.gz RRURXRCDTOSKSL-UHFFFAOYSA-N 1 0 240.281 2.987 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000335578791 181111830 /nfs/dbraw/zinc/11/18/30/181111830.db2.gz HFPVFSMZFXVEIX-JOYOIKCWSA-N 1 0 249.745 2.751 10 30 BFEERO N#CC1(C[N@@H+]2CCCC3(CC3)C2)CCC1 ZINC000334675832 354419257 /nfs/dbraw/zinc/41/92/57/354419257.db2.gz MFNFGHACZIKYQR-UHFFFAOYSA-N 1 0 204.317 2.556 10 30 BFEERO N#Cc1ccccc1NC[C@@H]([NH3+])c1ccccc1 ZINC000062838507 181148055 /nfs/dbraw/zinc/14/80/55/181148055.db2.gz ABIANZDAOUNJKA-CQSZACIVSA-N 1 0 237.306 2.670 10 30 BFEERO N#Cc1ncccc1C[NH2+]C1CCCCCC1 ZINC000061657303 181170728 /nfs/dbraw/zinc/17/07/28/181170728.db2.gz FXYWHARXEDJYLY-UHFFFAOYSA-N 1 0 229.327 2.766 10 30 BFEERO C=C(C)C[N@@H+](C)CCc1ccccc1OC ZINC000104710220 355385385 /nfs/dbraw/zinc/38/53/85/355385385.db2.gz CGPHNBZDPWYTIT-UHFFFAOYSA-N 1 0 219.328 2.746 10 30 BFEERO CC#CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053157374 355360365 /nfs/dbraw/zinc/36/03/65/355360365.db2.gz ASRWOBDWKSTADV-UHFFFAOYSA-N 1 0 211.667 2.592 10 30 BFEERO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CCCS1 ZINC000087793449 355856134 /nfs/dbraw/zinc/85/61/34/355856134.db2.gz ZWOJFRCDGRWEFA-FRRDWIJNSA-N 1 0 238.400 2.944 10 30 BFEERO C#CC[C@H]([NH3+])c1cc2c(s1)CCCC2 ZINC000168548440 356109227 /nfs/dbraw/zinc/10/92/27/356109227.db2.gz RQSVNEADZRZWCP-JTQLQIEISA-N 1 0 205.326 2.650 10 30 BFEERO C[C@@H]1C[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)CC(C)(C)C1 ZINC000675059579 538484307 /nfs/dbraw/zinc/48/43/07/538484307.db2.gz JLULJIQMYZSVSU-MQYQWHSLSA-N 1 0 237.387 2.873 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc2c(s1)CCCC2 ZINC000168548535 357016407 /nfs/dbraw/zinc/01/64/07/357016407.db2.gz RQSVNEADZRZWCP-SNVBAGLBSA-N 1 0 205.326 2.650 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000223889609 357145586 /nfs/dbraw/zinc/14/55/86/357145586.db2.gz QKKPOSJOQLFJIQ-IHRRRGAJSA-N 1 0 236.359 2.618 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1ccc(C)c(Cl)c1 ZINC000168677462 357193599 /nfs/dbraw/zinc/19/35/99/357193599.db2.gz UCFZPERYWINHNW-GFCCVEGCSA-N 1 0 207.704 2.932 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1cc(C)cc(Cl)c1 ZINC000168683788 357182993 /nfs/dbraw/zinc/18/29/93/357182993.db2.gz KJEWAJZFJMNCGC-GFCCVEGCSA-N 1 0 207.704 2.932 10 30 BFEERO C#C[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000130091730 357184345 /nfs/dbraw/zinc/18/43/45/357184345.db2.gz DBZJVXWMFVHMHT-SECBINFHSA-N 1 0 200.068 2.626 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000169235159 357264435 /nfs/dbraw/zinc/26/44/35/357264435.db2.gz BBFGLUPXYANLCZ-JTQLQIEISA-N 1 0 242.091 2.611 10 30 BFEERO CCN(CCC#N)c1ccccc1[C@@H](C)[NH2+]C ZINC000042450773 169816488 /nfs/dbraw/zinc/81/64/88/169816488.db2.gz WTPJOXRPVMMOOC-GFCCVEGCSA-N 1 0 231.343 2.707 10 30 BFEERO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000235506488 357873502 /nfs/dbraw/zinc/87/35/02/357873502.db2.gz ZMFDGIPJOQQDAC-STQMWFEESA-N 1 0 238.375 2.864 10 30 BFEERO C=CCCCCC[NH+]1CCC(n2cncn2)CC1 ZINC000193324223 357875847 /nfs/dbraw/zinc/87/58/47/357875847.db2.gz KCYBXQISMKXSQZ-UHFFFAOYSA-N 1 0 248.374 2.661 10 30 BFEERO C#CC[N@H+]1CC[C@](CCC)(c2cccc(O)c2)C1 ZINC000584650740 358305855 /nfs/dbraw/zinc/30/58/55/358305855.db2.gz YSUMAPCBVWCFND-INIZCTEOSA-N 1 0 243.350 2.769 10 30 BFEERO CC[N@@H+]1CC[C@H]([C@H](C#N)c2ccccc2)C1 ZINC000584633696 358317945 /nfs/dbraw/zinc/31/79/45/358317945.db2.gz HGQBYODEQKBUSF-UONOGXRCSA-N 1 0 214.312 2.636 10 30 BFEERO N#CCCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000127855443 358566908 /nfs/dbraw/zinc/56/69/08/358566908.db2.gz FJICJFRRDMASPD-KGLIPLIRSA-N 1 0 246.358 2.650 10 30 BFEERO C#C[C@@H](NC)c1c(Cl)cccc1Cl ZINC000130192506 358749779 /nfs/dbraw/zinc/74/97/79/358749779.db2.gz CRCQVAWWMSEVAR-SECBINFHSA-N 1 0 214.095 2.887 10 30 BFEERO C=CCC[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000134927497 358810675 /nfs/dbraw/zinc/81/06/75/358810675.db2.gz LLYOAFWHEPNGGJ-IHRRRGAJSA-N 1 0 225.376 2.992 10 30 BFEERO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247655786 359238665 /nfs/dbraw/zinc/23/86/65/359238665.db2.gz WZQBMKIMYQVQNS-OLZOCXBDSA-N 1 0 235.327 2.744 10 30 BFEERO CC(C)C1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000224434620 359681374 /nfs/dbraw/zinc/68/13/74/359681374.db2.gz FOSSZSQIAYLJOE-VXGBXAGGSA-N 1 0 206.333 2.704 10 30 BFEERO C#CC[NH2+]Cc1ccc(OC(C)C)c(OCC)c1 ZINC000045945379 359745509 /nfs/dbraw/zinc/74/55/09/359745509.db2.gz YZFIGDCWPGFICR-UHFFFAOYSA-N 1 0 247.338 2.595 10 30 BFEERO C#CCOc1c(C[NH2+][C@@H](C)CC)cccc1OC ZINC000045945800 359745888 /nfs/dbraw/zinc/74/58/88/359745888.db2.gz YPHGGYKGNZVVLW-LBPRGKRZSA-N 1 0 247.338 2.595 10 30 BFEERO C=C(C)CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000352024700 366549634 /nfs/dbraw/zinc/54/96/34/366549634.db2.gz IHIHPPSRGDUUEU-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1Cc2ccccc21 ZINC000090976986 360095725 /nfs/dbraw/zinc/09/57/25/360095725.db2.gz PGEBAHXVKKIZRW-JSGCOSHPSA-N 1 0 228.339 2.808 10 30 BFEERO CC[N@H+](C[C@@H](C)C#N)C[C@H]1Cc2ccccc21 ZINC000090976987 360095831 /nfs/dbraw/zinc/09/58/31/360095831.db2.gz PGEBAHXVKKIZRW-GXTWGEPZSA-N 1 0 228.339 2.808 10 30 BFEERO C[C@@H]1CC[N@H+](CC2(CS)CC2)CCS1 ZINC000306535445 360398963 /nfs/dbraw/zinc/39/89/63/360398963.db2.gz GDHLQJXARPXRGS-SNVBAGLBSA-N 1 0 231.430 2.524 10 30 BFEERO C#CC[C@@H]([NH3+])c1cccc2ccsc21 ZINC000306522109 360358212 /nfs/dbraw/zinc/35/82/12/360358212.db2.gz OVHBXJBZIKLLKN-LLVKDONJSA-N 1 0 201.294 2.924 10 30 BFEERO C=CCC[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000070594033 361579742 /nfs/dbraw/zinc/57/97/42/361579742.db2.gz UXXUUYDQALMWKB-LLVKDONJSA-N 1 0 221.300 2.670 10 30 BFEERO C#CCC[C@H]([NH3+])c1ccc(Br)s1 ZINC000070597720 361582703 /nfs/dbraw/zinc/58/27/03/361582703.db2.gz UMPZMCGPKTYYEU-ZETCQYMHSA-N 1 0 244.157 2.924 10 30 BFEERO CC(C)(C)[C@H]1CCC[N@H+](C[C@@H]2CO2)CC1 ZINC000070613408 361627535 /nfs/dbraw/zinc/62/75/35/361627535.db2.gz URFGQRSJVVHGMM-NWDGAFQWSA-N 1 0 211.349 2.533 10 30 BFEERO C[C@@H]([NH3+])c1ccc(S[C@@H](C)C#N)cc1 ZINC000070620956 361647640 /nfs/dbraw/zinc/64/76/40/361647640.db2.gz NUJCXNQHOJBXFS-DTWKUNHWSA-N 1 0 206.314 2.710 10 30 BFEERO [NH3+]CC#Cc1cc(COC2CCCC2)ccc1F ZINC000049610340 181346818 /nfs/dbraw/zinc/34/68/18/181346818.db2.gz JEHBSMKZRVZQAI-UHFFFAOYSA-N 1 0 247.313 2.595 10 30 BFEERO C#CCOc1c(C[NH2+]C(C)C)cccc1OCC ZINC000037704993 363895794 /nfs/dbraw/zinc/89/57/94/363895794.db2.gz VXFIOLSBEXEUFT-UHFFFAOYSA-N 1 0 247.338 2.595 10 30 BFEERO C[C@]1(C[NH2+][C@H]2CCC[C@H]2C#N)CCCS1 ZINC000250778575 364488739 /nfs/dbraw/zinc/48/87/39/364488739.db2.gz BLMGPIMXPMUQHN-SDDRHHMPSA-N 1 0 224.373 2.554 10 30 BFEERO C=CC/[NH+]=C(/SCC=C)N1CCCC1 ZINC000017022550 368418368 /nfs/dbraw/zinc/41/83/68/368418368.db2.gz WFNGARFMOJBETR-VAWYXSNFSA-N 1 0 210.346 2.543 10 30 BFEERO c1ccn([NH+]=C2C=CC(=[NH+]n3cccc3)C=C2)c1 ZINC000004214910 368907553 /nfs/dbraw/zinc/90/75/53/368907553.db2.gz VQKVZNAYFUDTTE-UHFFFAOYSA-N 1 0 236.278 2.524 10 30 in-man BFEERO C[C@H](CCc1ccco1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054827259 369100397 /nfs/dbraw/zinc/10/03/97/369100397.db2.gz AKTVLOYEZGGMEW-BZPMIXESSA-N 1 0 232.327 2.883 10 30 BFEERO CCCC[NH+](CC#C/C(C)=C\CO)CCCC ZINC000038364203 168787786 /nfs/dbraw/zinc/78/77/86/168787786.db2.gz IYPVXGPQKZYCDE-GDNBJRDFSA-N 1 0 237.387 2.831 10 30 BFEERO N#Cc1cc(F)ccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962940 369580509 /nfs/dbraw/zinc/58/05/09/369580509.db2.gz PMCSKEIVMGMHOD-MJHDQNEOSA-N 1 0 247.317 2.627 10 30 BFEERO N#Cc1c(F)cccc1N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000600962232 369582630 /nfs/dbraw/zinc/58/26/30/369582630.db2.gz BUIKWAKEFXSKDS-XYPYZODXSA-N 1 0 247.317 2.627 10 30 BFEERO Cc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)cn1 ZINC000062053078 369940061 /nfs/dbraw/zinc/94/00/61/369940061.db2.gz QVKXRNVDLZOVDQ-ZIAGYGMSSA-N 1 0 229.327 2.562 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000130957269 370474720 /nfs/dbraw/zinc/47/47/20/370474720.db2.gz NQIINHFBYBSTOL-NSHDSACASA-N 1 0 209.264 2.800 10 30 BFEERO CC(C)[C@H]([NH3+])CNc1cc(Cl)ccc1C#N ZINC000070010520 371003185 /nfs/dbraw/zinc/00/31/85/371003185.db2.gz FKCZNAUWZBLOLD-LLVKDONJSA-N 1 0 237.734 2.607 10 30 BFEERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000215627602 371599850 /nfs/dbraw/zinc/59/98/50/371599850.db2.gz GNZKVNNMNACHNA-JHJVBQTASA-N 1 0 236.359 2.616 10 30 BFEERO C=C(C)[C@H]([NH3+])c1ccc(Br)o1 ZINC000131405966 371601143 /nfs/dbraw/zinc/60/11/43/371601143.db2.gz DDSQQMKFKLBOBB-QMMMGPOBSA-N 1 0 216.078 2.618 10 30 BFEERO C[C@@H](CS)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226605623 371704551 /nfs/dbraw/zinc/70/45/51/371704551.db2.gz NOGUAFHUFDGXBZ-WOPDTQHZSA-N 1 0 213.390 2.817 10 30 BFEERO C[C@H]1C[N@@H+](CC2(CS)CC2)CC[C@@H]1C ZINC000132202229 371764908 /nfs/dbraw/zinc/76/49/08/371764908.db2.gz KQHLDGPASCXAAF-QWRGUYRKSA-N 1 0 213.390 2.674 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc(Br)cn1 ZINC000133130128 371993165 /nfs/dbraw/zinc/99/31/65/371993165.db2.gz BVPBMWGJIZZELY-VIFPVBQESA-N 1 0 241.132 2.810 10 30 BFEERO C#Cc1ccc2c(c1)C(C)(C)C[N@@H+](C1CC1)C2 ZINC000142524964 373581332 /nfs/dbraw/zinc/58/13/32/373581332.db2.gz CUTYJOCROYTONO-UHFFFAOYSA-N 1 0 225.335 2.924 10 30 BFEERO CCC[C@@H](C)[N@H+](C)Cc1ccccc1C#CCO ZINC000049613207 169364787 /nfs/dbraw/zinc/36/47/87/169364787.db2.gz LFUZTEHNKNEFIG-CQSZACIVSA-N 1 0 245.366 2.651 10 30 BFEERO O/N=C1/CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000095347727 384368403 /nfs/dbraw/zinc/36/84/03/384368403.db2.gz YGUBLIFXKQYDAG-JHBCDZEYSA-N 1 0 244.338 2.749 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000165168751 384387396 /nfs/dbraw/zinc/38/73/96/384387396.db2.gz VJUNENDKZZJQGD-JQWIXIFHSA-N 1 0 220.341 2.898 10 30 BFEERO CC[C@@H](C[NH2+]CCS)c1cccc(OC)c1 ZINC000146951853 384825612 /nfs/dbraw/zinc/82/56/12/384825612.db2.gz XHKZKRLKIOQTMV-NSHDSACASA-N 1 0 239.384 2.708 10 30 BFEERO CN(Cc1ccccc1)CC1(C#N)CCC1 ZINC000258613027 384937419 /nfs/dbraw/zinc/93/74/19/384937419.db2.gz ISCGILDTJOUHLH-UHFFFAOYSA-N 1 0 214.312 2.812 10 30 BFEERO C=CC[C@H](CO)Nc1cc(C)[nH+]c2ccccc12 ZINC000302150623 384974658 /nfs/dbraw/zinc/97/46/58/384974658.db2.gz TZGOGGCECCZCAG-GFCCVEGCSA-N 1 0 242.322 2.892 10 30 BFEERO C[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)C1CC1 ZINC000086036775 384979539 /nfs/dbraw/zinc/97/95/39/384979539.db2.gz XAFJXAWSAOAMFK-UWTIGNOOSA-N 1 0 240.350 2.998 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309543904 385109229 /nfs/dbraw/zinc/10/92/29/385109229.db2.gz YZTUKCAFAVXMRM-YPMHNXCESA-N 1 0 218.344 2.991 10 30 BFEERO C=CCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000246744624 385227662 /nfs/dbraw/zinc/22/76/62/385227662.db2.gz RFRMDIMTZMUTDO-OLZOCXBDSA-N 1 0 209.333 2.596 10 30 BFEERO C[C@@H](CCC[NH3+])Nc1ccc(Cl)cc1C#N ZINC000309333747 386139014 /nfs/dbraw/zinc/13/90/14/386139014.db2.gz UNKISHBJSAQBME-VIFPVBQESA-N 1 0 237.734 2.751 10 30 BFEERO Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000061891126 386551885 /nfs/dbraw/zinc/55/18/85/386551885.db2.gz QXQMQTRWMQCKAM-GHMZBOCLSA-N 1 0 220.341 2.838 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000061892614 386553825 /nfs/dbraw/zinc/55/38/25/386553825.db2.gz PJHIMBRXQAVFHY-CYZMBNFOSA-N 1 0 206.333 2.847 10 30 BFEERO C=CC[NH2+]Cc1cccc(OCCC)c1 ZINC000020924900 386809500 /nfs/dbraw/zinc/80/95/00/386809500.db2.gz JAAYPVRTPHDEDU-UHFFFAOYSA-N 1 0 205.301 2.751 10 30 BFEERO C=CCOc1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000103953805 386833871 /nfs/dbraw/zinc/83/38/71/386833871.db2.gz MANIRZVNOPINDU-CQSZACIVSA-N 1 0 247.338 2.520 10 30 BFEERO C#CC[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000224351580 533206607 /nfs/dbraw/zinc/20/66/07/533206607.db2.gz RMQDSZZVLLLGJW-CQSZACIVSA-N 1 0 242.366 2.657 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1cc(F)cc(C)c1O ZINC000575440243 387127964 /nfs/dbraw/zinc/12/79/64/387127964.db2.gz WWTQXPWETWTJAJ-LLVKDONJSA-N 1 0 209.264 2.806 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404066288 387284966 /nfs/dbraw/zinc/28/49/66/387284966.db2.gz NXYAIBFSKLAIDY-RISCZKNCSA-N 1 0 232.302 2.976 10 30 BFEERO C=CCCCCC[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352669419 387432936 /nfs/dbraw/zinc/43/29/36/387432936.db2.gz ZRMGLANHZGBCPL-OLZOCXBDSA-N 1 0 211.349 2.578 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000052270722 387465144 /nfs/dbraw/zinc/46/51/44/387465144.db2.gz WBMAUOCYQBNAAO-KWBADKCTSA-N 1 0 200.285 2.617 10 30 BFEERO C=C(Br)C[NH2+][C@]1(C)CC1(C)C ZINC000575563450 387704446 /nfs/dbraw/zinc/70/44/46/387704446.db2.gz LJAUULPYEBITAZ-SECBINFHSA-N 1 0 218.138 2.673 10 30 BFEERO C=CCCCCC[N@H+]1CCC[C@H]1CCCO ZINC000236493123 387889309 /nfs/dbraw/zinc/88/93/09/387889309.db2.gz PBSDTJASPGSVJP-AWEZNQCLSA-N 1 0 225.376 2.970 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229650355 388863072 /nfs/dbraw/zinc/86/30/72/388863072.db2.gz GQXXAANMWRXUFQ-ZIAGYGMSSA-N 1 0 239.322 2.950 10 30 BFEERO CC(C)([NH3+])C#Cc1ccc(Br)cc1 ZINC000575493540 388949146 /nfs/dbraw/zinc/94/91/46/388949146.db2.gz QKTYZQHOONPILE-UHFFFAOYSA-N 1 0 238.128 2.538 10 30 BFEERO C=CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000121145737 134231511 /nfs/dbraw/zinc/23/15/11/134231511.db2.gz ASXCXZHLLBMIEU-QWHCGFSZSA-N 1 0 225.376 2.728 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000226616744 134368238 /nfs/dbraw/zinc/36/82/38/134368238.db2.gz PKELCYSXCBQHCO-AGIUHOORSA-N 1 0 204.317 2.625 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000250805858 135058815 /nfs/dbraw/zinc/05/88/15/135058815.db2.gz HWLDVDBMLGXAHB-AJNGGQMLSA-N 1 0 226.323 2.824 10 30 BFEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000252187393 135086901 /nfs/dbraw/zinc/08/69/01/135086901.db2.gz RANJHTNJXPMUDP-NDBYEHHHSA-N 1 0 206.333 2.847 10 30 BFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCC2(C1)CCCCC2 ZINC000262461631 135300410 /nfs/dbraw/zinc/30/04/10/135300410.db2.gz MLLWMGRHUWJJNK-QWHCGFSZSA-N 1 0 249.402 2.626 10 30 BFEERO [NH2+]=C(Nc1ccccn1)N[C@@H]1CCC12CCCC2 ZINC000263264649 135343905 /nfs/dbraw/zinc/34/39/05/135343905.db2.gz NCTZUBXULGFZII-LLVKDONJSA-N 1 0 244.342 2.531 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000080354806 135369191 /nfs/dbraw/zinc/36/91/91/135369191.db2.gz SGVXHDVTIODOEB-FZMZJTMJSA-N 1 0 239.322 2.950 10 30 BFEERO CC(C)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)CC1 ZINC000616687308 397929496 /nfs/dbraw/zinc/92/94/96/397929496.db2.gz TWZSESAZZQEZAQ-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1cccc(C#N)c1 ZINC000054594168 167112505 /nfs/dbraw/zinc/11/25/05/167112505.db2.gz XQAGQDZQZWOBSX-UONOGXRCSA-N 1 0 214.312 2.660 10 30 BFEERO C#CCCOc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000037703625 166150744 /nfs/dbraw/zinc/15/07/44/166150744.db2.gz GXFCYASNCHGSIA-UHFFFAOYSA-N 1 0 249.741 2.994 10 30 BFEERO C=CCCOc1cc(C[NH3+])c2ccccc2n1 ZINC000051522771 166276650 /nfs/dbraw/zinc/27/66/50/166276650.db2.gz IQXZNYOFBXAIKF-UHFFFAOYSA-N 1 0 228.295 2.648 10 30 BFEERO C=CCC[C@H](O)C[N@@H+](CCC)Cc1ccco1 ZINC000036096515 166302987 /nfs/dbraw/zinc/30/29/87/166302987.db2.gz JZNUSHQWMVGWBP-ZDUSSCGKSA-N 1 0 237.343 2.819 10 30 BFEERO C=CC[NH+](CC=C)Cc1ccc(C)c(N)c1 ZINC000020071255 166334551 /nfs/dbraw/zinc/33/45/51/166334551.db2.gz SUHYLPQYHWDPSA-UHFFFAOYSA-N 1 0 216.328 2.751 10 30 BFEERO C=CC[NH+](CC=C)C[C@H]1CNc2ccccc2O1 ZINC000020071311 166336026 /nfs/dbraw/zinc/33/60/26/166336026.db2.gz WWGKRKPZMHDZJK-CYBMUJFWSA-N 1 0 244.338 2.534 10 30 BFEERO C=CC[NH2+]CCC(=O)c1ccc(C)cc1C ZINC000049816406 166399079 /nfs/dbraw/zinc/39/90/79/166399079.db2.gz AHDFNCGUYOKBGA-UHFFFAOYSA-N 1 0 217.312 2.652 10 30 BFEERO C=CC[NH2+]CCC(=O)c1cc(C)ccc1C ZINC000049816403 166399194 /nfs/dbraw/zinc/39/91/94/166399194.db2.gz KERFLIWDVOHMTQ-UHFFFAOYSA-N 1 0 217.312 2.652 10 30 BFEERO CC(C)(C)[N+](=O)Cc1c[nH]c2ccccc12 ZINC000066258254 166518588 /nfs/dbraw/zinc/51/85/88/166518588.db2.gz AWBQVMIKFIXEOU-DHDCSXOGSA-N 1 0 216.284 2.896 10 30 BFEERO CC(C)(C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049256118 166574904 /nfs/dbraw/zinc/57/49/04/166574904.db2.gz UHXOMHIPJAPHRW-UHFFFAOYSA-N 1 0 231.339 2.812 10 30 BFEERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054594273 167116663 /nfs/dbraw/zinc/11/66/63/167116663.db2.gz XKGXJMSSUWBVMM-KGLIPLIRSA-N 1 0 214.312 2.660 10 30 BFEERO CC(C)[C@@H](C)[N@H+](C)Cc1ccccc1C#CCO ZINC000049618572 167368476 /nfs/dbraw/zinc/36/84/76/167368476.db2.gz DKCMDUSEGCSFJU-CQSZACIVSA-N 1 0 245.366 2.507 10 30 BFEERO CC1CCC([N@H+](C)CC[C@@H](C#N)NC2CC2)CC1 ZINC000062437662 168158748 /nfs/dbraw/zinc/15/87/48/168158748.db2.gz ANPGPOOKHFNXGM-BLZCZZARSA-N 1 0 249.402 2.531 10 30 BFEERO CCN(C[C@H](C)C#N)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000042447260 169889126 /nfs/dbraw/zinc/88/91/26/169889126.db2.gz LYNSPWKROPQXQU-GHMZBOCLSA-N 1 0 249.333 2.831 10 30 BFEERO CCN[C@@](C)(C#N)CCC[N@@H+]1CCCC1(C)C ZINC000063072548 170155323 /nfs/dbraw/zinc/15/53/23/170155323.db2.gz GCLJTNXSYJRWNJ-CQSZACIVSA-N 1 0 237.391 2.533 10 30 BFEERO CCO[C@@H](C(=[NH2+])NCC(C)C)c1ccccc1 ZINC000001997995 170470759 /nfs/dbraw/zinc/47/07/59/170470759.db2.gz AHPHLPLQJGQPRL-CYBMUJFWSA-N 1 0 234.343 2.777 10 30 BFEERO CC[C@@](C)(C=O)C[N@H+](C)Cc1ccc(OC)cc1 ZINC000051178629 171164296 /nfs/dbraw/zinc/16/42/96/171164296.db2.gz YTBXAXDYKJWFGO-OAHLLOKOSA-N 1 0 249.354 2.742 10 30 BFEERO C[N@@H+]1CCCC[C@@H]1c1ccccc1C#N ZINC000075907079 173006840 /nfs/dbraw/zinc/00/68/40/173006840.db2.gz MBUJMXVYBJQRGE-CYBMUJFWSA-N 1 0 200.285 2.715 10 30 BFEERO COC1(C[NH2+][C@H]2CCC[C@H]2C#N)CCCCC1 ZINC000319926171 174004743 /nfs/dbraw/zinc/00/47/43/174004743.db2.gz SGTLNBQBOVUXMG-STQMWFEESA-N 1 0 236.359 2.618 10 30 BFEERO COC1CCC(CCCC[NH2+]CCS)CC1 ZINC000204953965 174020386 /nfs/dbraw/zinc/02/03/86/174020386.db2.gz BFVCVVBQEPKWLB-UHFFFAOYSA-N 1 0 245.432 2.881 10 30 BFEERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1S ZINC000073654538 176306728 /nfs/dbraw/zinc/30/67/28/176306728.db2.gz GGFAEBAPIVACQB-YPMHNXCESA-N 1 0 221.369 2.827 10 30 BFEERO C[C@H]1CCC[N@@H+]1CCOc1ccc(CC#N)cc1 ZINC000037910808 177108795 /nfs/dbraw/zinc/10/87/95/177108795.db2.gz RTTXKISUCCAIQN-ZDUSSCGKSA-N 1 0 244.338 2.616 10 30 BFEERO C=CCC[C@@H]([NH2+][C@H]1CCCN(CC)C1)C1CC1 ZINC000245931479 323007678 /nfs/dbraw/zinc/00/76/78/323007678.db2.gz JIXCQECKJLUMBO-LSDHHAIUSA-N 1 0 236.403 2.805 10 30 BFEERO C=CCCCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000305187763 490448008 /nfs/dbraw/zinc/44/80/08/490448008.db2.gz QPOHCJSTSSCDGJ-CABCVRRESA-N 1 0 236.403 2.901 10 30 BFEERO C=C(CC)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023480 534399916 /nfs/dbraw/zinc/39/99/16/534399916.db2.gz PNFYAPYOCVCQMP-ZIAGYGMSSA-N 1 0 223.360 2.580 10 30 BFEERO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CCC ZINC000336735339 534401156 /nfs/dbraw/zinc/40/11/56/534401156.db2.gz LSCJBMKGXOJNMH-BFHYXJOUSA-N 1 0 225.376 2.729 10 30 BFEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])NCC1CCC1 ZINC000263123897 535893025 /nfs/dbraw/zinc/89/30/25/535893025.db2.gz MHMAOSTWXZLLKM-TZMCWYRMSA-N 1 0 237.391 2.516 10 30 BFEERO C#CCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124596711 583208373 /nfs/dbraw/zinc/20/83/73/583208373.db2.gz IUZMHEPSILBWFL-UHFFFAOYSA-N 1 0 209.239 2.737 10 30 BFEERO C#CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000125262571 590159444 /nfs/dbraw/zinc/15/94/44/590159444.db2.gz MYZFKXLOGNLDEV-CQSZACIVSA-N 1 0 213.324 2.923 10 30 BFEERO CCCCCCC[N@@H+]1C[C@H](C)[C@H](C(=O)OC)C1 ZINC000127583666 590715214 /nfs/dbraw/zinc/71/52/14/590715214.db2.gz KUBRYWJBYGAEQJ-QWHCGFSZSA-N 1 0 241.375 2.698 10 30 BFEERO C=C(Cl)CN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000129817927 591411215 /nfs/dbraw/zinc/41/12/15/591411215.db2.gz AERINVFVSZTXDV-CHWSQXEVSA-N 1 0 242.794 2.688 10 30 BFEERO C=CCCCCC[C@H](C)[NH2+][C@H](C)[C@@H](C)O ZINC000309055631 631835129 /nfs/dbraw/zinc/83/51/29/631835129.db2.gz UFSRYAVLWFZVOJ-YNEHKIRRSA-N 1 0 213.365 2.870 10 30 BFEERO C#CCC[NH2+]C[C@@H](CC)c1ccccc1 ZINC000309244124 631979557 /nfs/dbraw/zinc/97/95/57/631979557.db2.gz YWBBYDLMWUMYNT-CYBMUJFWSA-N 1 0 201.313 2.793 10 30 BFEERO C=C(Br)C[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000321902456 636758557 /nfs/dbraw/zinc/75/85/57/636758557.db2.gz NWRLROLZALJQJY-FKTZTGRPSA-N 1 0 232.165 2.919 10 30 BFEERO CC(=O)[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087598879 640939157 /nfs/dbraw/zinc/93/91/57/640939157.db2.gz YIIWLWAFIGUFHT-CYBMUJFWSA-N 1 0 236.359 2.617 10 30 BFEERO C=C(Cl)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227633028 642970504 /nfs/dbraw/zinc/97/05/04/642970504.db2.gz AERINVFVSZTXDV-STQMWFEESA-N 1 0 242.794 2.688 10 30 BFEERO C#CCC[NH2+]Cc1nc2ccccc2n1CCC ZINC000070245742 643004668 /nfs/dbraw/zinc/00/46/68/643004668.db2.gz HJBBSIHYVBQDLA-UHFFFAOYSA-N 1 0 241.338 2.559 10 30 BFEERO C#CCC[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000069768620 643449347 /nfs/dbraw/zinc/44/93/47/643449347.db2.gz VWMBIWOHGTUFNE-UHFFFAOYSA-N 1 0 222.357 2.554 10 30 BFEERO C#CCC[NH2+]Cc1sccc1Br ZINC000069769247 643450403 /nfs/dbraw/zinc/45/04/03/643450403.db2.gz QDBSIQLIWVGEFA-UHFFFAOYSA-N 1 0 244.157 2.624 10 30 BFEERO CSC1CC([NH2+]Cc2cc(C#N)cs2)C1 ZINC000708267283 712185119 /nfs/dbraw/zinc/18/51/19/712185119.db2.gz XBJRGDDQVFTHSZ-UHFFFAOYSA-N 1 0 238.381 2.603 10 30 BFEERO CCO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000721233022 712899797 /nfs/dbraw/zinc/89/97/97/712899797.db2.gz FULQBUXDKFRTFZ-RQJABVFESA-N 1 0 236.359 2.616 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722329086 711737770 /nfs/dbraw/zinc/73/77/70/711737770.db2.gz CLXIJYLPHUSWLN-ZQDZILKHSA-N 1 0 248.370 2.616 10 30 BFEERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(Cl)cc1C#N ZINC000721858881 711791710 /nfs/dbraw/zinc/79/17/10/711791710.db2.gz GDIUDDHRZMYGKW-LBPRGKRZSA-N 1 0 249.745 2.622 10 30 BFEERO C#CCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000705570340 712132956 /nfs/dbraw/zinc/13/29/56/712132956.db2.gz QDYLJRGRSNNGQD-UHFFFAOYSA-N 1 0 229.657 2.731 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711421622 712299291 /nfs/dbraw/zinc/29/92/91/712299291.db2.gz LOYJDRCAQJRXIM-IHRRRGAJSA-N 1 0 248.370 2.760 10 30 BFEERO C#CC[N+](C)(C)C/C=C(/Cl)C(=C)Cl ZINC000083302681 717135963 /nfs/dbraw/zinc/13/59/63/717135963.db2.gz QOWOPTJMCQTILX-UXBLZVDNSA-N 1 0 219.135 2.571 10 30 BFEERO C=CC[C@@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685961023 538908068 /nfs/dbraw/zinc/90/80/68/538908068.db2.gz AAFKEEMYUAXGEH-GFCCVEGCSA-N 1 0 217.312 2.558 10 30 BFEERO CCC(CC)[N@H+](C)Cc1ccccc1C#CCO ZINC000049618652 168368403 /nfs/dbraw/zinc/36/84/03/168368403.db2.gz DGNBDQCGDOHELE-UHFFFAOYSA-N 1 0 245.366 2.651 10 30 BFEERO CCC(CC)[N@H+](CCO)[C@H]1CCCC[C@@H]1C#N ZINC000042505458 168374155 /nfs/dbraw/zinc/37/41/55/168374155.db2.gz CPCYYVVCYRASFM-OCCSQVGLSA-N 1 0 238.375 2.552 10 30 BFEERO C#CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000051074564 346829957 /nfs/dbraw/zinc/82/99/57/346829957.db2.gz CHXOUCCTJNOOAX-NSHDSACASA-N 1 0 238.128 2.733 10 30 BFEERO C#C[C@@H](CC)[NH2+][C@H]1CSCC(C)(C)C1 ZINC000229895180 342853174 /nfs/dbraw/zinc/85/31/74/342853174.db2.gz QBOIEAPSIKLSCN-WDEREUQCSA-N 1 0 211.374 2.520 10 30 BFEERO CCC[C@H]([NH3+])C#Cc1ccc(Cl)cc1 ZINC000229902284 342854156 /nfs/dbraw/zinc/85/41/56/342854156.db2.gz HRMKLKVWCRXDMD-LBPRGKRZSA-N 1 0 207.704 2.819 10 30 BFEERO CC(C)C(=[NH2+])NCc1ccccc1Cl ZINC000059925537 342875840 /nfs/dbraw/zinc/87/58/40/342875840.db2.gz DEDMLURUHZYBQZ-UHFFFAOYSA-N 1 0 210.708 2.853 10 30 BFEERO CCNC(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000059925404 342875963 /nfs/dbraw/zinc/87/59/63/342875963.db2.gz RYNOBSFWXQOWGF-UHFFFAOYSA-N 1 0 231.126 2.913 10 30 BFEERO CC(C)CNC(=[NH2+])c1cccc(Cl)c1 ZINC000059925870 342876221 /nfs/dbraw/zinc/87/62/21/342876221.db2.gz PBWORZFPPSUNBP-UHFFFAOYSA-N 1 0 210.708 2.701 10 30 BFEERO C=C(C)C[N@H+](CC)CC[C@H](N)c1ccccc1 ZINC000020074206 187206267 /nfs/dbraw/zinc/20/62/67/187206267.db2.gz XXIIIKSEDCJRPT-HNNXBMFYSA-N 1 0 232.371 2.975 10 30 BFEERO N#CCCCC[N@@H+]1CCC[C@H]1c1nccs1 ZINC000368875405 136276897 /nfs/dbraw/zinc/27/68/97/136276897.db2.gz LHVJKMLUGGRCJD-NSHDSACASA-N 1 0 235.356 2.974 10 30 BFEERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000069664816 343288208 /nfs/dbraw/zinc/28/82/08/343288208.db2.gz FHYPLROAKFXBGW-RAIGVLPGSA-N 1 0 206.333 2.847 10 30 BFEERO ON=C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019426449 187252019 /nfs/dbraw/zinc/25/20/19/187252019.db2.gz VTMBYUYMOCACBK-UHFFFAOYSA-N 1 0 238.718 2.766 10 30 BFEERO CC(C)[C@H]([NH3+])C#Cc1ccc(Cl)s1 ZINC000300953451 343511137 /nfs/dbraw/zinc/51/11/37/343511137.db2.gz QBCOJMUCKUOZTA-SECBINFHSA-N 1 0 213.733 2.736 10 30 BFEERO C#CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000020078322 166190319 /nfs/dbraw/zinc/19/03/19/166190319.db2.gz PFHIYYOECGEOLQ-QMMMGPOBSA-N 1 0 211.667 2.763 10 30 BFEERO C[C@H]1CCCC[N@@H+]1CC1(C=O)CCCC1 ZINC000051175319 343623344 /nfs/dbraw/zinc/62/33/44/343623344.db2.gz XMAOGBYBRNXKFU-LBPRGKRZSA-N 1 0 209.333 2.620 10 30 BFEERO C=CC[C@@H](CO)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000320155867 192064442 /nfs/dbraw/zinc/06/44/42/192064442.db2.gz AAJMHATZGOPZHU-PCKAHOCUSA-N 1 0 245.366 2.768 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c(F)c1 ZINC000334229926 343843653 /nfs/dbraw/zinc/84/36/53/343843653.db2.gz JAGUIZRMBIBRGY-OCCSQVGLSA-N 1 0 230.286 2.682 10 30 BFEERO C=CCn1c2cc(C)c(C)cc2nc1CCCO ZINC000040310931 187353867 /nfs/dbraw/zinc/35/38/67/187353867.db2.gz JZFYKJHJJWUQOW-UHFFFAOYSA-N 1 0 244.338 2.764 10 30 BFEERO CC[C@](C)([NH3+])C#Cc1sccc1Cl ZINC000307475015 343938001 /nfs/dbraw/zinc/93/80/01/343938001.db2.gz AWVLJFAJOQCONZ-JTQLQIEISA-N 1 0 213.733 2.880 10 30 BFEERO SCC1CCC2(CC[N@@H+](C3CC3)C2)CC1 ZINC000095079010 187286916 /nfs/dbraw/zinc/28/69/16/187286916.db2.gz COEBQWGJGHRHKK-UHFFFAOYSA-N 1 0 225.401 2.961 10 30 BFEERO C=C(CC)CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000313540579 344101251 /nfs/dbraw/zinc/10/12/51/344101251.db2.gz RTTVIGANZNRDRS-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000129107286 344210828 /nfs/dbraw/zinc/21/08/28/344210828.db2.gz IWKWPGXYHSDSRE-NSHDSACASA-N 1 0 209.264 2.800 10 30 BFEERO C#CCOc1c(C[NH2+]C(C)(C)C)cccc1OC ZINC000045945522 192075475 /nfs/dbraw/zinc/07/54/75/192075475.db2.gz FQLBVEUNBRZQNZ-UHFFFAOYSA-N 1 0 247.338 2.595 10 30 BFEERO C#CC[NH2+]Cc1cc(Cl)ccc1OC(C)C ZINC000045945394 192075556 /nfs/dbraw/zinc/07/55/56/192075556.db2.gz MFVCOHBWPRKBRG-UHFFFAOYSA-N 1 0 237.730 2.850 10 30 BFEERO CSC1(C[NH2+][C@H]2CCCC[C@H]2C#N)CCC1 ZINC000235116236 344801438 /nfs/dbraw/zinc/80/14/38/344801438.db2.gz MLNOWQKVZSJZAG-RYUDHWBXSA-N 1 0 238.400 2.944 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000155333322 345076741 /nfs/dbraw/zinc/07/67/41/345076741.db2.gz DNVZNLJPWFNVID-GFCCVEGCSA-N 1 0 234.368 2.736 10 30 BFEERO CC#CCC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000248399025 345367384 /nfs/dbraw/zinc/36/73/84/345367384.db2.gz VETGZHNXGMUXSH-HOCLYGCPSA-N 1 0 243.350 2.862 10 30 BFEERO C[NH2+]CC#Cc1cccc(Cl)c1Cl ZINC000229451631 345610279 /nfs/dbraw/zinc/61/02/79/345610279.db2.gz HRSHBMUDCAUTTP-UHFFFAOYSA-N 1 0 214.095 2.564 10 30 BFEERO C=C(C[NH+](CC)CC)c1ccc(O)cc1 ZINC000013521782 187307519 /nfs/dbraw/zinc/30/75/19/187307519.db2.gz YBUVUEDJFYLBPT-UHFFFAOYSA-N 1 0 205.301 2.747 10 30 BFEERO CC#CCOc1cccc(C[NH2+]CC(C)C)c1 ZINC000062731537 187362449 /nfs/dbraw/zinc/36/24/49/187362449.db2.gz WGQHOTLQFGUDIR-UHFFFAOYSA-N 1 0 231.339 2.834 10 30 BFEERO C[C@H]([NH3+])C#Cc1cccc2ccsc21 ZINC000167006514 346179053 /nfs/dbraw/zinc/17/90/53/346179053.db2.gz ZGZPOBBUYBREJO-VIFPVBQESA-N 1 0 201.294 2.600 10 30 BFEERO C[C@@H]([NH3+])C#Cc1ccc(Cl)c(Cl)c1 ZINC000166990010 346180346 /nfs/dbraw/zinc/18/03/46/346180346.db2.gz ADLYGVQDBAZJNO-SSDOTTSWSA-N 1 0 214.095 2.692 10 30 BFEERO O=C(C1=CCCCCC1)[C@H]1CCCC[NH2+]1 ZINC000236409757 346236593 /nfs/dbraw/zinc/23/65/93/346236593.db2.gz LEEPIXIJLOAFJA-GFCCVEGCSA-N 1 0 207.317 2.588 10 30 BFEERO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000054825582 179101960 /nfs/dbraw/zinc/10/19/60/179101960.db2.gz YITIISTUWHGIIN-KGLIPLIRSA-N 1 0 214.312 2.777 10 30 BFEERO Cc1cccc([C@@H](C)NC[C@H](C)C#N)c1 ZINC000054181155 179182174 /nfs/dbraw/zinc/18/21/74/179182174.db2.gz FCQWEBLIMVHLGK-VXGBXAGGSA-N 1 0 202.301 2.805 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000382190139 347225248 /nfs/dbraw/zinc/22/52/48/347225248.db2.gz BPAMYPSVHZSZBT-QNWHQSFQSA-N 1 0 206.333 2.847 10 30 BFEERO Cc1cccc2c1CC[NH2+][C@@H]2[C@H](C)S ZINC000083731656 179214529 /nfs/dbraw/zinc/21/45/29/179214529.db2.gz FRUPPGGZVHWKGV-JOYOIKCWSA-N 1 0 207.342 2.500 10 30 BFEERO Cc1cccc2c1[C@@H](CCS)[NH2+]CC2 ZINC000075640808 179223220 /nfs/dbraw/zinc/22/32/20/179223220.db2.gz JQVACCRXEYFPMY-LLVKDONJSA-N 1 0 207.342 2.502 10 30 BFEERO CSC(=[NH2+])Nc1ccc(Br)cc1 ZINC000196642963 347513442 /nfs/dbraw/zinc/51/34/42/347513442.db2.gz IITNPOMYGSMTHG-UHFFFAOYSA-N 1 0 245.145 2.758 10 30 BFEERO CCC(C)(C)[C@@H]([NH3+])c1cccc(C#N)c1 ZINC000669380756 537991825 /nfs/dbraw/zinc/99/18/25/537991825.db2.gz VPWKGOZGVJTIOE-LBPRGKRZSA-N 1 0 202.301 2.994 10 30 BFEERO Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000592122687 347737276 /nfs/dbraw/zinc/73/72/76/347737276.db2.gz LTBGEKCDMYHNMV-UKRRQHHQSA-N 1 0 243.354 2.523 10 30 BFEERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C#N)C[C@H](C)O1 ZINC000595692931 348317076 /nfs/dbraw/zinc/31/70/76/348317076.db2.gz ZFWIARWKRNMBQY-NDKCEZKHSA-N 1 0 236.359 2.614 10 30 BFEERO C[C@]1(C#N)CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000595841347 348376287 /nfs/dbraw/zinc/37/62/87/348376287.db2.gz KMIVYQVOMNIQQM-UKRRQHHQSA-N 1 0 226.323 2.562 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000054824939 348668598 /nfs/dbraw/zinc/66/85/98/348668598.db2.gz KMJXFSMGSMEIET-QWHCGFSZSA-N 1 0 206.333 2.849 10 30 BFEERO COC1CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000597196279 348673014 /nfs/dbraw/zinc/67/30/14/348673014.db2.gz CNFBKYPDZLTXAE-GFJIZPEISA-N 1 0 236.359 2.616 10 30 BFEERO N#C[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000616574077 349076375 /nfs/dbraw/zinc/07/63/75/349076375.db2.gz OCQGNUFMVSYPPB-RRFJBIMHSA-N 1 0 226.323 2.668 10 30 BFEERO CC#CC[NH2+]Cc1cccc(Br)c1 ZINC000051663440 350022062 /nfs/dbraw/zinc/02/20/62/350022062.db2.gz NSXQQRUAJOYVQO-UHFFFAOYSA-N 1 0 238.128 2.562 10 30 BFEERO CC#CC[C@H]([NH3+])c1cccc(Br)c1 ZINC000051665115 350022743 /nfs/dbraw/zinc/02/27/43/350022743.db2.gz UCOXTCBJHNUDOF-NSHDSACASA-N 1 0 238.128 2.862 10 30 BFEERO C[C@H](CS)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000227253514 350491110 /nfs/dbraw/zinc/49/11/10/350491110.db2.gz WFLUZPBBFVXYGP-DCAQKATOSA-N 1 0 201.379 2.815 10 30 BFEERO CC[N@@H+]1CCC[C@H]1c1ccccc1C#N ZINC000616606248 350797265 /nfs/dbraw/zinc/79/72/65/350797265.db2.gz DFHYZLMSDPYKQV-ZDUSSCGKSA-N 1 0 200.285 2.715 10 30 BFEERO CCCCCCCCCCNC(=O)CC[NH3+] ZINC000106208971 168650077 /nfs/dbraw/zinc/65/00/77/168650077.db2.gz ZRNDITDREAUPIJ-UHFFFAOYSA-N 1 0 228.380 2.592 10 30 BFEERO C=CCC[C@@H]([NH3+])c1c(OC)cccc1OC ZINC000128957429 350918713 /nfs/dbraw/zinc/91/87/13/350918713.db2.gz FULOTGOEZKOUEH-SNVBAGLBSA-N 1 0 221.300 2.670 10 30 BFEERO C=CCC[C@@H]([NH3+])c1ccc(C)c(OC)c1 ZINC000129023709 350965902 /nfs/dbraw/zinc/96/59/02/350965902.db2.gz VSMZSXXBTRKCBK-GFCCVEGCSA-N 1 0 205.301 2.970 10 30 BFEERO N#Cc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000616621126 350976439 /nfs/dbraw/zinc/97/64/39/350976439.db2.gz YFXKFYZHJZAWQC-ZDUSSCGKSA-N 1 0 200.285 2.763 10 30 BFEERO CCCCCCCC[NH2+][C@H](C)C(=O)NCCC ZINC000059134412 168653365 /nfs/dbraw/zinc/65/33/65/168653365.db2.gz PKXNNBBXIUAQMK-CYBMUJFWSA-N 1 0 242.407 2.851 10 30 BFEERO C=CCCOCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336721591 351152627 /nfs/dbraw/zinc/15/26/27/351152627.db2.gz ZXJLFFZGUKIDQI-OLZOCXBDSA-N 1 0 229.339 2.697 10 30 BFEERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccccc1C#N ZINC000616644886 351165471 /nfs/dbraw/zinc/16/54/71/351165471.db2.gz ITBMAAKOLMBUNB-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO CC(C)[N@@H+]1CCCO[C@H](c2ccccc2C#N)C1 ZINC000616649468 351178590 /nfs/dbraw/zinc/17/85/90/351178590.db2.gz KLIDVMYGATYQNX-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO CC(C)[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616665939 351224112 /nfs/dbraw/zinc/22/41/12/351224112.db2.gz ANVXNDXZUNQCOZ-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO CCCCCCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000059345373 168658422 /nfs/dbraw/zinc/65/84/22/168658422.db2.gz PWCNEZXIWGGVLQ-QWHCGFSZSA-N 1 0 242.407 2.802 10 30 BFEERO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CCC ZINC000336735340 351906123 /nfs/dbraw/zinc/90/61/23/351906123.db2.gz LSCJBMKGXOJNMH-IHRRRGAJSA-N 1 0 225.376 2.729 10 30 BFEERO C=CCC[C@@H](CO)[NH2+]CC1CCC(C)CC1 ZINC000320286631 259426106 /nfs/dbraw/zinc/42/61/06/259426106.db2.gz PCTMNUHUHCYXNB-RUXDESIVSA-N 1 0 225.376 2.729 10 30 BFEERO C#CC[C@@H](CCOc1ccccc1)[NH2+]CCC ZINC000051074524 187705800 /nfs/dbraw/zinc/70/58/00/187705800.db2.gz IZHOVHDLGGYWAS-AWEZNQCLSA-N 1 0 231.339 2.847 10 30 BFEERO CC#CCC[C@@H]([NH3+])c1ncccc1Cl ZINC000232478934 352742913 /nfs/dbraw/zinc/74/29/13/352742913.db2.gz VPSPEEQJRCRQHR-SNVBAGLBSA-N 1 0 208.692 2.538 10 30 BFEERO C[C@@H]1C[C@H](S)C[N@@H+]1Cc1ccccc1 ZINC000307332894 353068842 /nfs/dbraw/zinc/06/88/42/353068842.db2.gz LBTDVLZVTGNQQM-PWSUYJOCSA-N 1 0 207.342 2.579 10 30 BFEERO C=C(C)COc1ccc(C[C@@H](C)[NH3+])cc1OC ZINC000037727029 187979541 /nfs/dbraw/zinc/97/95/41/187979541.db2.gz NDBKVCBOIATFOM-LLVKDONJSA-N 1 0 235.327 2.540 10 30 BFEERO CC#CC[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000232563988 353133451 /nfs/dbraw/zinc/13/34/51/353133451.db2.gz KKSFKGKBXIMBCV-NSHDSACASA-N 1 0 211.667 2.892 10 30 BFEERO C=C(C)COc1ccc(C[C@@H](C)[NH2+]C)cc1 ZINC000071444180 188047455 /nfs/dbraw/zinc/04/74/55/188047455.db2.gz NVXSLBDSGXOKKD-GFCCVEGCSA-N 1 0 219.328 2.792 10 30 BFEERO [NH3+]Cc1ccc(C#Cc2ccccc2)cc1 ZINC000142934022 353155999 /nfs/dbraw/zinc/15/59/99/353155999.db2.gz QLIYCGBTJLOZHE-UHFFFAOYSA-N 1 0 207.276 2.545 10 30 BFEERO C=C(C)CN(CC)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019507329 188231771 /nfs/dbraw/zinc/23/17/71/188231771.db2.gz GXCIHQZBLWARQK-AWEZNQCLSA-N 1 0 246.354 2.501 10 30 BFEERO C[NH+]1CCC(C#N)(Nc2ccc(Cl)cc2)CC1 ZINC000037936105 188288976 /nfs/dbraw/zinc/28/89/76/188288976.db2.gz VRBGQYLDHTWRPJ-UHFFFAOYSA-N 1 0 249.745 2.740 10 30 BFEERO CC#CC[NH2+][C@@H](C)c1ccccc1OCC ZINC000161991328 353300784 /nfs/dbraw/zinc/30/07/84/353300784.db2.gz LTXISRITRIAFAB-LBPRGKRZSA-N 1 0 217.312 2.759 10 30 BFEERO CC(C)[N@H+](CCC#N)[C@@H](C)c1cccc(N)c1 ZINC000042528603 188293635 /nfs/dbraw/zinc/29/36/35/188293635.db2.gz CGUULEXDEUBIIH-LBPRGKRZSA-N 1 0 231.343 2.954 10 30 BFEERO N#CCCCC[N@@H+](Cc1ccccc1N)C1CC1 ZINC000049578673 188298770 /nfs/dbraw/zinc/29/87/70/188298770.db2.gz HNNCOSJIVFMTNZ-UHFFFAOYSA-N 1 0 243.354 2.927 10 30 BFEERO C=C(Cl)COc1ccc(Cl)cc1C[NH3+] ZINC000037700993 188326011 /nfs/dbraw/zinc/32/60/11/188326011.db2.gz QSXZRPUSHGGPPV-UHFFFAOYSA-N 1 0 232.110 2.930 10 30 BFEERO CC(C)[C@H](C)[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049618595 188399835 /nfs/dbraw/zinc/39/98/35/188399835.db2.gz YCTQTFPTWPZNNJ-AWEZNQCLSA-N 1 0 245.366 2.507 10 30 BFEERO N#CC1(C[N@@H+]2CCCC23CCC3)CCC1 ZINC000336257230 181028791 /nfs/dbraw/zinc/02/87/91/181028791.db2.gz KVOGNEOTMZKLLP-UHFFFAOYSA-N 1 0 204.317 2.699 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000305973851 181060019 /nfs/dbraw/zinc/06/00/19/181060019.db2.gz GYZTUNOJUAXYON-MELADBBJSA-N 1 0 248.370 2.618 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000054823157 181060052 /nfs/dbraw/zinc/06/00/52/181060052.db2.gz ZZLZONMNIKXXBP-GXTWGEPZSA-N 1 0 232.302 2.650 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCc1cccs1 ZINC000054824076 181067669 /nfs/dbraw/zinc/06/76/69/181067669.db2.gz CCDFAIDCXBATNL-YPMHNXCESA-N 1 0 234.368 2.963 10 30 BFEERO C=CCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230645735 363315394 /nfs/dbraw/zinc/31/53/94/363315394.db2.gz UVUHEMYWOFBTMY-MWLCHTKSSA-N 1 0 208.305 2.988 10 30 BFEERO N#C[C@H]1CCC[C@@H]1N(Cc1ccco1)C1CC1 ZINC000042693000 181068601 /nfs/dbraw/zinc/06/86/01/181068601.db2.gz FSXXAAISZIBNIU-RISCZKNCSA-N 1 0 230.311 2.936 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000054823880 181068829 /nfs/dbraw/zinc/06/88/29/181068829.db2.gz REFBXKLUUAWWGE-KGLIPLIRSA-N 1 0 214.312 2.511 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000104442647 181069323 /nfs/dbraw/zinc/06/93/23/181069323.db2.gz ZLKGGLCLKUSRJJ-TZMCWYRMSA-N 1 0 236.359 2.618 10 30 BFEERO CCC#C[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000309780441 491058974 /nfs/dbraw/zinc/05/89/74/491058974.db2.gz MTGKISZQDJMTKV-WDEREUQCSA-N 1 0 220.291 2.673 10 30 BFEERO N#Cc1cc(Cl)ccc1[C@H]1CCC[NH2+]1 ZINC000072201930 181086763 /nfs/dbraw/zinc/08/67/63/181086763.db2.gz BQDNURCZBOBBNP-LLVKDONJSA-N 1 0 206.676 2.636 10 30 BFEERO N#Cc1cc(Cl)ccc1NCc1ncc[nH]1 ZINC000070819949 181087454 /nfs/dbraw/zinc/08/74/54/181087454.db2.gz XWOWXWSFHXADSK-UHFFFAOYSA-N 1 0 232.674 2.547 10 30 BFEERO N#Cc1ccc(N[C@@H]2CC[C@H](C[NH3+])C2)cc1Cl ZINC000335583100 181125676 /nfs/dbraw/zinc/12/56/76/181125676.db2.gz VDKVFCHGRVLDLW-GXSJLCMTSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1cccc(O[C@@H](C[NH3+])c2ccccc2)c1 ZINC000042899902 181142931 /nfs/dbraw/zinc/14/29/31/181142931.db2.gz YKBQUZORGMLAML-HNNXBMFYSA-N 1 0 238.290 2.637 10 30 BFEERO CSC1(C[NH2+][C@H]2CCC[C@H]2C#N)CCC1 ZINC000235120590 363438213 /nfs/dbraw/zinc/43/82/13/363438213.db2.gz ACBSBEJNGMPBIW-QWRGUYRKSA-N 1 0 224.373 2.554 10 30 BFEERO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000336152047 134104638 /nfs/dbraw/zinc/10/46/38/134104638.db2.gz APQIXSXGWJPEMU-UONOGXRCSA-N 1 0 212.296 2.543 10 30 BFEERO C[C@@H]1C[NH+](CC2(C#N)CCC2)C[C@@H](C)S1 ZINC000336201186 134130331 /nfs/dbraw/zinc/13/03/31/134130331.db2.gz XLTYGHAIZQMIAB-GHMZBOCLSA-N 1 0 224.373 2.506 10 30 BFEERO CC(C)C1CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059961 538484959 /nfs/dbraw/zinc/48/49/59/538484959.db2.gz ONQNATDFINHXNW-XSCHDIRWSA-N 1 0 237.387 2.873 10 30 BFEERO C#CCCOc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000113335655 134161288 /nfs/dbraw/zinc/16/12/88/134161288.db2.gz GITADXJVTGHLTR-SWLSCSKDSA-N 1 0 229.323 2.587 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000168667152 356992620 /nfs/dbraw/zinc/99/26/20/356992620.db2.gz CPPCGJVPKNVTMS-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO C#CC[C@H]([NH3+])c1cc2sccc2s1 ZINC000168679057 357067644 /nfs/dbraw/zinc/06/76/44/357067644.db2.gz AZNLXOPUEAPUMO-ZETCQYMHSA-N 1 0 207.323 2.986 10 30 BFEERO C#C[C@H]([NH2+]C)c1cc(C)c(Br)s1 ZINC000130060695 357168103 /nfs/dbraw/zinc/16/81/03/357168103.db2.gz HWJCYLZTEPQIEY-ZETCQYMHSA-N 1 0 244.157 2.713 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000168675347 357192620 /nfs/dbraw/zinc/19/26/20/357192620.db2.gz NSANKVISQGICAO-SNVBAGLBSA-N 1 0 242.091 2.611 10 30 BFEERO C[C@H]([NH3+])[C@H](C)C(=O)C1=CCCCCCC1 ZINC000300063165 357183004 /nfs/dbraw/zinc/18/30/04/357183004.db2.gz RRCHWERVTHVQPH-QWRGUYRKSA-N 1 0 209.333 2.819 10 30 BFEERO C#CC[C@H]([NH3+])c1cc(C)c(Br)s1 ZINC000168663520 357186302 /nfs/dbraw/zinc/18/63/02/357186302.db2.gz UIFRONGLVYDSRP-ZETCQYMHSA-N 1 0 244.157 2.842 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000230686515 357549892 /nfs/dbraw/zinc/54/98/92/357549892.db2.gz UGXKOTYUZIGNRD-OCCSQVGLSA-N 1 0 239.322 2.950 10 30 BFEERO C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000235192376 357854724 /nfs/dbraw/zinc/85/47/24/357854724.db2.gz ZMFDGIPJOQQDAC-OLZOCXBDSA-N 1 0 238.375 2.864 10 30 BFEERO C=C1[C@H]2C=CC[C@@H]1C(SC)=[N+]2C(C)C ZINC000584659691 358311414 /nfs/dbraw/zinc/31/14/14/358311414.db2.gz QSGWZZXOMONKPC-WDEREUQCSA-N 1 0 208.350 2.683 10 30 BFEERO CC(C)[NH+]1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1 ZINC000387476075 366412709 /nfs/dbraw/zinc/41/27/09/366412709.db2.gz ZYGWANMIIROAMB-DZGCQCFKSA-N 1 0 249.402 2.531 10 30 BFEERO C[C@H](C#N)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227018682 358347472 /nfs/dbraw/zinc/34/74/72/358347472.db2.gz YIJGPSRQHPZYPK-UTUOFQBUSA-N 1 0 208.349 2.950 10 30 BFEERO C=C(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124614952 358520553 /nfs/dbraw/zinc/52/05/53/358520553.db2.gz HTHUGDULDCYXHZ-ZNMIVQPWSA-N 1 0 237.387 2.968 10 30 BFEERO C#CC[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000129908604 358601533 /nfs/dbraw/zinc/60/15/33/358601533.db2.gz WJYZKCYFEKBELA-JEYLPNPQSA-N 1 0 238.334 2.612 10 30 BFEERO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247655788 359238659 /nfs/dbraw/zinc/23/86/59/359238659.db2.gz WZQBMKIMYQVQNS-STQMWFEESA-N 1 0 235.327 2.744 10 30 BFEERO C#CC[C@@H]([NH3+])c1c(C)cccc1Br ZINC000306407646 359790795 /nfs/dbraw/zinc/79/07/95/359790795.db2.gz KZLHVJQOUIMELX-SNVBAGLBSA-N 1 0 238.128 2.781 10 30 BFEERO C=CCCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000309144985 491145622 /nfs/dbraw/zinc/14/56/22/491145622.db2.gz UZQFMNXDGSSIMU-LLVKDONJSA-N 1 0 208.305 2.990 10 30 BFEERO C=C([C@H]([NH3+])c1cccs1)C(F)(F)F ZINC000306456386 360047091 /nfs/dbraw/zinc/04/70/91/360047091.db2.gz SWZBCZPPOCBLNG-ZETCQYMHSA-N 1 0 207.220 2.866 10 30 BFEERO C=C[C@H]([NH3+])c1cc(F)c(F)cc1Br ZINC000238595281 361161045 /nfs/dbraw/zinc/16/10/45/361161045.db2.gz LZRQXVNFACUIGX-VIFPVBQESA-N 1 0 248.070 2.913 10 30 BFEERO C=C[C@H]([NH3+])c1c[nH]c2c1cccc2CC ZINC000089204051 200937739 /nfs/dbraw/zinc/93/77/39/200937739.db2.gz SWQBIXZLKUKNRO-LBPRGKRZSA-N 1 0 200.285 2.916 10 30 BFEERO C=CCCCC[NH2+]Cc1csc(COC)n1 ZINC000309724335 491155046 /nfs/dbraw/zinc/15/50/46/491155046.db2.gz XIDBULKQNLZVCU-UHFFFAOYSA-N 1 0 240.372 2.735 10 30 BFEERO CC[C@@](C)([NH3+])C#Cc1occc1Br ZINC000306637611 361569268 /nfs/dbraw/zinc/56/92/68/361569268.db2.gz BOYRNIMIXWHTGC-SNVBAGLBSA-N 1 0 242.116 2.521 10 30 BFEERO C=CC[C@H](CC)[NH2+]Cc1csc(COC)n1 ZINC000310038081 491159885 /nfs/dbraw/zinc/15/98/85/491159885.db2.gz VTOGOYQVUXKVKO-JTQLQIEISA-N 1 0 240.372 2.734 10 30 BFEERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000614403554 363806321 /nfs/dbraw/zinc/80/63/21/363806321.db2.gz JMRCZGZJJNGAPS-HUUCEWRRSA-N 1 0 226.323 2.851 10 30 BFEERO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C#N)CCCS1 ZINC000250778571 364488240 /nfs/dbraw/zinc/48/82/40/364488240.db2.gz BLMGPIMXPMUQHN-QJPTWQEYSA-N 1 0 224.373 2.554 10 30 BFEERO N#C[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000675060745 541463991 /nfs/dbraw/zinc/46/39/91/541463991.db2.gz OCQGNUFMVSYPPB-ZNMIVQPWSA-N 1 0 226.323 2.668 10 30 BFEERO O/N=C1/CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000102071867 368419684 /nfs/dbraw/zinc/41/96/84/368419684.db2.gz YGUBLIFXKQYDAG-PJHBIWMESA-N 1 0 244.338 2.749 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc(F)c(OC)c1 ZINC000130817088 369090388 /nfs/dbraw/zinc/09/03/88/369090388.db2.gz XQCXPCBWTKRIPZ-NSHDSACASA-N 1 0 209.264 2.800 10 30 BFEERO CC(C)CCOCC[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000054828264 369100519 /nfs/dbraw/zinc/10/05/19/369100519.db2.gz KCLIVHLZOFKSDU-KGLIPLIRSA-N 1 0 238.375 2.721 10 30 BFEERO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000054828265 369100983 /nfs/dbraw/zinc/10/09/83/369100983.db2.gz KCLIVHLZOFKSDU-UONOGXRCSA-N 1 0 238.375 2.721 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403793233 369411197 /nfs/dbraw/zinc/41/11/97/369411197.db2.gz BWTQDQZZOLQBQI-DGTMBMJNSA-N 1 0 218.344 2.704 10 30 BFEERO N#Cc1ccc(Cl)cc1NCCC1(C[NH3+])CC1 ZINC000404681718 369432790 /nfs/dbraw/zinc/43/27/90/369432790.db2.gz LHFRRUGQWIOBGY-UHFFFAOYSA-N 1 0 249.745 2.753 10 30 BFEERO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Cl)cc1C#N ZINC000600951454 369578587 /nfs/dbraw/zinc/57/85/87/369578587.db2.gz IWJJWWVWASXJDR-WCQYABFASA-N 1 0 249.745 2.764 10 30 BFEERO CC[NH2+]CCCNc1cc(Cl)ccc1C#N ZINC000062785772 370096373 /nfs/dbraw/zinc/09/63/73/370096373.db2.gz QOUHXEBNJJMOCP-UHFFFAOYSA-N 1 0 237.734 2.623 10 30 BFEERO C[C@H]1CC[N@H+](CC2(CS)CC2)[C@@H](C)C1 ZINC000227246115 371815961 /nfs/dbraw/zinc/81/59/61/371815961.db2.gz WGMDOAJSJRJRQZ-QWRGUYRKSA-N 1 0 213.390 2.817 10 30 BFEERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000162878796 371873366 /nfs/dbraw/zinc/87/33/66/371873366.db2.gz RREOKMCMAWLXDR-IJLUTSLNSA-N 1 0 208.349 2.950 10 30 BFEERO C[C@H]1SCC[N@H+](CC2(CS)CC2)[C@H]1C ZINC000132796329 371923588 /nfs/dbraw/zinc/92/35/88/371923588.db2.gz DSDNHAQOQJYFHE-VHSXEESVSA-N 1 0 231.430 2.522 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ncccc1Br ZINC000133180458 372001901 /nfs/dbraw/zinc/00/19/01/372001901.db2.gz ICKJRNJNOHRACU-VIFPVBQESA-N 1 0 241.132 2.810 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccc(Br)cn1 ZINC000133130340 371993390 /nfs/dbraw/zinc/99/33/90/371993390.db2.gz BVPBMWGJIZZELY-SECBINFHSA-N 1 0 241.132 2.810 10 30 BFEERO C#C[C@H]([NH3+])c1cc2cc(F)ccc2s1 ZINC000163721003 372037146 /nfs/dbraw/zinc/03/71/46/372037146.db2.gz CHDWSQBNMOZHSC-VIFPVBQESA-N 1 0 205.257 2.673 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1cccc(Br)n1 ZINC000306731430 372062847 /nfs/dbraw/zinc/06/28/47/372062847.db2.gz LRUUTQXIRXIIIG-QMMMGPOBSA-N 1 0 241.132 2.810 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1cccc(Br)n1 ZINC000306731428 372063124 /nfs/dbraw/zinc/06/31/24/372063124.db2.gz LRUUTQXIRXIIIG-MRVPVSSYSA-N 1 0 241.132 2.810 10 30 BFEERO C=C(Cl)C[NH2+]CCCOCc1ccccc1 ZINC000307105665 372086406 /nfs/dbraw/zinc/08/64/06/372086406.db2.gz DDPSJXIEPQPIAZ-UHFFFAOYSA-N 1 0 239.746 2.935 10 30 BFEERO [NH3+]CCCCC#Cc1ccc(Cl)cc1 ZINC000229614344 372172845 /nfs/dbraw/zinc/17/28/45/372172845.db2.gz NMSDMSSPFMHNLT-UHFFFAOYSA-N 1 0 207.704 2.821 10 30 BFEERO [NH3+]CCCC#Cc1sccc1Br ZINC000229818456 372198549 /nfs/dbraw/zinc/19/85/49/372198549.db2.gz BERRYNXIXSBQBJ-UHFFFAOYSA-N 1 0 244.157 2.601 10 30 BFEERO C=CCCC(C)(C)C[NH2+]Cc1cnn(C)c1C ZINC000631221399 372245166 /nfs/dbraw/zinc/24/51/66/372245166.db2.gz RRJJOQYXMPVBMA-UHFFFAOYSA-N 1 0 235.375 2.811 10 30 BFEERO CCCN[C@@H](C#N)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000062369344 169273103 /nfs/dbraw/zinc/27/31/03/169273103.db2.gz DBEQMWOWHDXGEK-MELADBBJSA-N 1 0 237.391 2.531 10 30 BFEERO CCCN[C@H](C#N)CCOc1ccc(CC)cc1 ZINC000062445912 169283813 /nfs/dbraw/zinc/28/38/13/169283813.db2.gz KUKXSZLLLVXODA-AWEZNQCLSA-N 1 0 246.354 2.910 10 30 BFEERO CCCSCc1cc(C#CC[NH3+])ccc1OC ZINC000049611237 169339546 /nfs/dbraw/zinc/33/95/46/169339546.db2.gz LRJAFAKGKPQRNS-UHFFFAOYSA-N 1 0 249.379 2.649 10 30 BFEERO C#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000182014880 134341527 /nfs/dbraw/zinc/34/15/27/134341527.db2.gz CPQVKJRCCMMMJE-KFWWJZLASA-N 1 0 247.382 2.727 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233414179 169533563 /nfs/dbraw/zinc/53/35/63/169533563.db2.gz ZOEHMLGOXSEMCH-JSGCOSHPSA-N 1 0 244.338 2.845 10 30 BFEERO C[C@H](CCCC[NH3+])Nc1ccc(F)cc1C#N ZINC000336687870 384248307 /nfs/dbraw/zinc/24/83/07/384248307.db2.gz GTTDXCGUFXUZCG-SNVBAGLBSA-N 1 0 235.306 2.627 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000165044341 384370937 /nfs/dbraw/zinc/37/09/37/384370937.db2.gz SWFFCIIAGGUZRY-ZIAGYGMSSA-N 1 0 214.312 2.836 10 30 BFEERO N#CCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308895683 385250711 /nfs/dbraw/zinc/25/07/11/385250711.db2.gz ZZIBQARGQKEQTI-NEPJUHHUSA-N 1 0 212.312 2.798 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309089429 385412415 /nfs/dbraw/zinc/41/24/15/385412415.db2.gz BPAMYPSVHZSZBT-RNJOBUHISA-N 1 0 206.333 2.847 10 30 BFEERO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000164661281 386185907 /nfs/dbraw/zinc/18/59/07/386185907.db2.gz SLOILYQFIZESEO-RYUDHWBXSA-N 1 0 219.332 2.598 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000394815020 386441751 /nfs/dbraw/zinc/44/17/51/386441751.db2.gz QSVCHUPKHHPZRW-YNEHKIRRSA-N 1 0 218.344 2.991 10 30 BFEERO C#CC[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124767868 386692648 /nfs/dbraw/zinc/69/26/48/386692648.db2.gz YQLXMNLDWFKDKO-LBPRGKRZSA-N 1 0 203.285 2.748 10 30 BFEERO C=CC[NH2+]Cc1ccc(OCCC)cc1 ZINC000020084803 386787878 /nfs/dbraw/zinc/78/78/78/386787878.db2.gz JMEGHSWEPMDZNR-UHFFFAOYSA-N 1 0 205.301 2.751 10 30 BFEERO C=C(C)C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1 ZINC000051753401 386870574 /nfs/dbraw/zinc/87/05/74/386870574.db2.gz QPCUPRCJWBFAPU-NSHDSACASA-N 1 0 235.327 2.931 10 30 BFEERO C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398906093 387015421 /nfs/dbraw/zinc/01/54/21/387015421.db2.gz NCCMHDYCFXVQTC-SOUVJXGZSA-N 1 0 237.387 2.826 10 30 BFEERO C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398906089 387015996 /nfs/dbraw/zinc/01/59/96/387015996.db2.gz NCCMHDYCFXVQTC-KKUMJFAQSA-N 1 0 237.387 2.826 10 30 BFEERO C#Cc1cccc(NC(=[NH2+])NCc2ccccc2)c1 ZINC000306440890 387164622 /nfs/dbraw/zinc/16/46/22/387164622.db2.gz OAUHLHBDNQFVAC-UHFFFAOYSA-N 1 0 249.317 2.804 10 30 BFEERO CC[C@@H]([NH3+])C#Cc1cccc(Br)c1 ZINC000575493084 387271924 /nfs/dbraw/zinc/27/19/24/387271924.db2.gz MOZAMNPAPILUMZ-LLVKDONJSA-N 1 0 238.128 2.538 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000322534240 387302703 /nfs/dbraw/zinc/30/27/03/387302703.db2.gz NDWLFWQRZCIXOO-FRRDWIJNSA-N 1 0 206.333 2.847 10 30 BFEERO C=C(C)[C@H]([NH3+])c1occc1Br ZINC000575508439 387368723 /nfs/dbraw/zinc/36/87/23/387368723.db2.gz QQJJMJFUMBBWRN-ZETCQYMHSA-N 1 0 216.078 2.618 10 30 BFEERO CC#CC[C@H]([NH3+])c1ccsc1Br ZINC000575498549 387341545 /nfs/dbraw/zinc/34/15/45/387341545.db2.gz JNOAXGNBAAKFSV-QMMMGPOBSA-N 1 0 244.157 2.924 10 30 BFEERO C=C(Br)C[NH2+][C@@]1(C)CC1(C)C ZINC000575563452 387703792 /nfs/dbraw/zinc/70/37/92/387703792.db2.gz LJAUULPYEBITAZ-VIFPVBQESA-N 1 0 218.138 2.673 10 30 BFEERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000054824258 387830405 /nfs/dbraw/zinc/83/04/05/387830405.db2.gz DLSSNFAFXPWEIT-KGLIPLIRSA-N 1 0 214.312 2.777 10 30 BFEERO C=CC[NH+]1CCC(Oc2ccccc2)CC1 ZINC000064792169 387866352 /nfs/dbraw/zinc/86/63/52/387866352.db2.gz BEESUQABHMKZND-UHFFFAOYSA-N 1 0 217.312 2.716 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000459487797 387950971 /nfs/dbraw/zinc/95/09/71/387950971.db2.gz WLHIIXCKQNWBOA-OUAUKWLOSA-N 1 0 228.286 2.704 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cc2c(s1)CCCC2 ZINC000130275951 388023276 /nfs/dbraw/zinc/02/32/76/388023276.db2.gz LCLPHFZFUIUODE-SNVBAGLBSA-N 1 0 205.326 2.521 10 30 BFEERO [NH3+]CCCC#Cc1ccc(Br)cc1 ZINC000575494522 388955888 /nfs/dbraw/zinc/95/58/88/388955888.db2.gz YJGJKXNQTRBEHI-UHFFFAOYSA-N 1 0 238.128 2.540 10 30 BFEERO C=CC[NH2+]C[C@@H](C)N1CCCc2ccccc21 ZINC000053487417 132229596 /nfs/dbraw/zinc/22/95/96/132229596.db2.gz VXXBLXOQFFTFGT-CYBMUJFWSA-N 1 0 230.355 2.603 10 30 BFEERO N#Cc1ccc(Cl)cc1N1CCCC[C@@H]1C[NH3+] ZINC000062785839 132388518 /nfs/dbraw/zinc/38/85/18/132388518.db2.gz HQVQBKIPUXEIHW-GFCCVEGCSA-N 1 0 249.745 2.529 10 30 BFEERO C=C(C)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000168045305 134155857 /nfs/dbraw/zinc/15/58/57/134155857.db2.gz RXHQZTDQFNDDFN-KGLIPLIRSA-N 1 0 223.360 2.580 10 30 BFEERO C[C@H](C#N)N1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000181917161 134340496 /nfs/dbraw/zinc/34/04/96/134340496.db2.gz RHCFPBIWQYPYKX-IUODEOHRSA-N 1 0 243.354 2.802 10 30 BFEERO C[C@H](CC#N)[N@@H+]1CCSC(C)(C)CC1 ZINC000227983673 134396539 /nfs/dbraw/zinc/39/65/39/134396539.db2.gz FEJSWYQOOIYLQX-SNVBAGLBSA-N 1 0 212.362 2.506 10 30 BFEERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000251790713 135077960 /nfs/dbraw/zinc/07/79/60/135077960.db2.gz XKHAWGPOUPJQCL-MROQNXINSA-N 1 0 206.333 2.847 10 30 BFEERO CCC[C@H]1C[C@H]1NC(=[NH2+])Nc1cccc(C)c1 ZINC000262485938 135301476 /nfs/dbraw/zinc/30/14/76/135301476.db2.gz WOOCAWPDVDEQHD-WCQYABFASA-N 1 0 231.343 2.910 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc(Br)nc1 ZINC000307119929 397981519 /nfs/dbraw/zinc/98/15/19/397981519.db2.gz GUVAEIUKSJQTKJ-VIFPVBQESA-N 1 0 241.132 2.810 10 30 BFEERO C#CCCOc1ccc(C)cc1C[C@@H]([NH3+])CC ZINC000104362631 166150122 /nfs/dbraw/zinc/15/01/22/166150122.db2.gz XWGZJXUMZQCSDT-AWEZNQCLSA-N 1 0 231.339 2.677 10 30 BFEERO C#CC[NH2+]C[C@H](C)Oc1cc(C)cc(C)c1C ZINC000053586048 166188904 /nfs/dbraw/zinc/18/89/04/166188904.db2.gz VMIJDAUDMVWTIQ-ZDUSSCGKSA-N 1 0 231.339 2.602 10 30 BFEERO C#CCOc1ccc(C[NH2+]CCCC)cc1OC ZINC000045945587 166198689 /nfs/dbraw/zinc/19/86/89/166198689.db2.gz DJHHEUNPNJBMIY-UHFFFAOYSA-N 1 0 247.338 2.597 10 30 BFEERO C(#Cc1ccccc1)C[NH2+]CCc1ccsc1 ZINC000051814288 166225796 /nfs/dbraw/zinc/22/57/96/166225796.db2.gz DQRAWELLTQLXNT-UHFFFAOYSA-N 1 0 241.359 2.932 10 30 BFEERO C=CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000168538677 166266421 /nfs/dbraw/zinc/26/64/21/166266421.db2.gz JOFHHAMAYINSAH-GFCCVEGCSA-N 1 0 203.285 2.545 10 30 BFEERO C=CC[NH+](CC=C)CC[C@@H](O)c1ccc(F)cc1 ZINC000041144834 166334397 /nfs/dbraw/zinc/33/43/97/166334397.db2.gz CFZQXINATPDUTO-OAHLLOKOSA-N 1 0 249.329 2.923 10 30 BFEERO C=CC[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000003785169 166356594 /nfs/dbraw/zinc/35/65/94/166356594.db2.gz LWSMSVQQKULODQ-OAHLLOKOSA-N 1 0 226.323 2.924 10 30 BFEERO C=CC[NH2+]CCOc1cccc2ccc(C)nc21 ZINC000053588056 166398307 /nfs/dbraw/zinc/39/83/07/166398307.db2.gz BJGQZIVUJGWNJN-UHFFFAOYSA-N 1 0 242.322 2.698 10 30 BFEERO CC(C)CN[C@](C)(C#N)CCc1ccc(O)cc1 ZINC000037939203 167014671 /nfs/dbraw/zinc/01/46/71/167014671.db2.gz DRDCWDMPNRHQGZ-HNNXBMFYSA-N 1 0 246.354 2.853 10 30 BFEERO CC(C)N[C@H](C#N)CCOCC1CCCCC1 ZINC000062450890 167136480 /nfs/dbraw/zinc/13/64/80/167136480.db2.gz YZZRMVSTYCKXDG-AWEZNQCLSA-N 1 0 238.375 2.864 10 30 BFEERO CC[NH+](CC)CCNc1ccc(CC#N)cc1 ZINC000051601629 169782561 /nfs/dbraw/zinc/78/25/61/169782561.db2.gz OACYPRQJEXXUSJ-UHFFFAOYSA-N 1 0 231.343 2.506 10 30 BFEERO CC(C)[C@@H](C)[N@H+](C)Cc1cccc(C#CCO)c1 ZINC000049618593 167367512 /nfs/dbraw/zinc/36/75/12/167367512.db2.gz YCTQTFPTWPZNNJ-CQSZACIVSA-N 1 0 245.366 2.507 10 30 BFEERO CC(C)[C@@H](C[NH+](C)C)Nc1ccc(C#N)cc1F ZINC000049218689 167395190 /nfs/dbraw/zinc/39/51/90/167395190.db2.gz JPWPRGLESZWTOT-CQSZACIVSA-N 1 0 249.333 2.695 10 30 BFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(CC)C1 ZINC000658033803 411209648 /nfs/dbraw/zinc/20/96/48/411209648.db2.gz DEEIZTPGWODPQJ-QLFBSQMISA-N 1 0 236.403 2.805 10 30 BFEERO CC1CCC([N@H+](C)CC[C@H](C#N)NC2CC2)CC1 ZINC000062437664 168158682 /nfs/dbraw/zinc/15/86/82/168158682.db2.gz ANPGPOOKHFNXGM-HNFVBEJKSA-N 1 0 249.402 2.531 10 30 BFEERO CC1CC[NH+](C[C@@](C)(C=O)c2ccccc2)CC1 ZINC000051175233 168182404 /nfs/dbraw/zinc/18/24/04/168182404.db2.gz MONDKHTXYJMICO-INIZCTEOSA-N 1 0 245.366 2.875 10 30 BFEERO CC[NH2+]Cc1ccccc1OCCCCC#N ZINC000049578217 170129509 /nfs/dbraw/zinc/12/95/09/170129509.db2.gz YBYPBPMFSXJNJY-UHFFFAOYSA-N 1 0 232.327 2.869 10 30 BFEERO CC[C@@H]1CC[C@H](C#N)[C@H]([N@H+](C)[C@@H](C)COC)C1 ZINC000042518225 171046882 /nfs/dbraw/zinc/04/68/82/171046882.db2.gz UCIWEZVDNTYDKV-REWJHTLYSA-N 1 0 238.375 2.672 10 30 BFEERO CC[C@H](C#N)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745251 171219439 /nfs/dbraw/zinc/21/94/39/171219439.db2.gz VESLBICOILNTJU-PSASIEDQSA-N 1 0 222.263 2.526 10 30 BFEERO C[NH+](C)/C=C/C=C/C(=O)c1ccccc1 ZINC000071789902 172350541 /nfs/dbraw/zinc/35/05/41/172350541.db2.gz HVBROFAHKRAJRB-JMQWPVDRSA-N 1 0 201.269 2.501 10 30 BFEERO C[NH+](C)CCC/N=C/c1ccccc1Cl ZINC000002380461 172427517 /nfs/dbraw/zinc/42/75/17/172427517.db2.gz IDICIXMXBBLHIV-GXDHUFHOSA-N 1 0 224.735 2.711 10 30 BFEERO C[N@H+]1[C@@H]2CC[C@H]1CC(/N=C\c1ccccc1)C2 ZINC000012410200 173207088 /nfs/dbraw/zinc/20/70/88/173207088.db2.gz AFIQCOMVQVIRPE-ASWOIHEVSA-N 1 0 228.339 2.731 10 30 BFEERO COCC[N@H+](C1CC1)[C@@H]1CCCCC[C@@H]1C#N ZINC000042518256 174284694 /nfs/dbraw/zinc/28/46/94/174284694.db2.gz FXGUGAGRRMLCNF-TZMCWYRMSA-N 1 0 236.359 2.570 10 30 BFEERO C[C@@H]1CCC[N@@H+]1CCCOc1ccccc1C#N ZINC000037910793 176109333 /nfs/dbraw/zinc/10/93/33/176109333.db2.gz RGXODFRRZAYGMM-CYBMUJFWSA-N 1 0 244.338 2.811 10 30 BFEERO C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000104409432 177379523 /nfs/dbraw/zinc/37/95/23/177379523.db2.gz RJCPFAAJTJPOPM-XHJNMGKDSA-N 1 0 220.360 2.903 10 30 BFEERO C=CCCCCC[NH+]1[C@H](C)COC[C@H]1C ZINC000193356080 324201239 /nfs/dbraw/zinc/20/12/39/324201239.db2.gz UVXPVZXNULJKIB-CHWSQXEVSA-N 1 0 211.349 2.842 10 30 BFEERO C=CCC[C@H]([NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000125289667 490426926 /nfs/dbraw/zinc/42/69/26/490426926.db2.gz VAFNYPWALNMAQO-KBPBESRZSA-N 1 0 223.360 2.890 10 30 BFEERO C#CCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757150136 582534217 /nfs/dbraw/zinc/53/42/17/582534217.db2.gz DXAPZPXSQJZISF-UHFFFAOYSA-N 1 0 207.704 2.761 10 30 BFEERO C=CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000121146019 534797839 /nfs/dbraw/zinc/79/78/39/534797839.db2.gz ASXCXZHLLBMIEU-CHWSQXEVSA-N 1 0 225.376 2.728 10 30 BFEERO ON=C1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000242723219 527643301 /nfs/dbraw/zinc/64/33/01/527643301.db2.gz YGUBLIFXKQYDAG-ZIAGYGMSSA-N 1 0 244.338 2.749 10 30 BFEERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000227598464 535495101 /nfs/dbraw/zinc/49/51/01/535495101.db2.gz LHURWZQNLVKFEK-BXUZGUMPSA-N 1 0 232.302 2.976 10 30 BFEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000261997693 535877218 /nfs/dbraw/zinc/87/72/18/535877218.db2.gz OMVZEYVLTZZSMT-GXFFZTMASA-N 1 0 245.370 2.946 10 30 BFEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])NCC1CCC1 ZINC000263123886 535884865 /nfs/dbraw/zinc/88/48/65/535884865.db2.gz MHMAOSTWXZLLKM-GXTWGEPZSA-N 1 0 237.391 2.516 10 30 BFEERO C=C(C[NH2+]CC)CSCc1occc1C ZINC000757167897 582548455 /nfs/dbraw/zinc/54/84/55/582548455.db2.gz ZKHQHRRRZLSOKK-UHFFFAOYSA-N 1 0 225.357 2.987 10 30 BFEERO CCCCCCCCC(=O)NCC[C@@H](C)[NH3+] ZINC000114576663 588875994 /nfs/dbraw/zinc/87/59/94/588875994.db2.gz KTLCODCPLDYGDU-GFCCVEGCSA-N 1 0 228.380 2.591 10 30 BFEERO C=CC[NH2+]CCSCc1ccc(Cl)o1 ZINC000757168534 586432665 /nfs/dbraw/zinc/43/26/65/586432665.db2.gz AZMYSJAYHKPVLK-UHFFFAOYSA-N 1 0 231.748 2.942 10 30 BFEERO C#C[C@@H]([NH2+][C@H]1CCc2ccccc21)C(C)C ZINC000301016360 592527154 /nfs/dbraw/zinc/52/71/54/592527154.db2.gz ZRXZLORPDQCMAC-CABCVRRESA-N 1 0 213.324 2.921 10 30 BFEERO C#CCC[NH2+]Cc1ccc(OCCC)cc1 ZINC000069767865 631275636 /nfs/dbraw/zinc/27/56/36/631275636.db2.gz HUDVRTQZQFYOQK-UHFFFAOYSA-N 1 0 217.312 2.588 10 30 BFEERO N#CCC1(C[NH2+]CCc2ccccc2)CC1 ZINC000083853603 631430808 /nfs/dbraw/zinc/43/08/08/631430808.db2.gz ZFFVQTBQPDTJPF-UHFFFAOYSA-N 1 0 214.312 2.513 10 30 BFEERO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000308916026 631721386 /nfs/dbraw/zinc/72/13/86/631721386.db2.gz BEYFSRYUJCSYPD-WDEREUQCSA-N 1 0 225.357 2.644 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000308916023 631721634 /nfs/dbraw/zinc/72/16/34/631721634.db2.gz BEYFSRYUJCSYPD-MNOVXSKESA-N 1 0 225.357 2.644 10 30 BFEERO C#Cc1ccc(C[NH2+][C@H]2C[C@H]2CCC)cc1 ZINC000310040103 632695876 /nfs/dbraw/zinc/69/58/76/632695876.db2.gz XQKSOZYRWNMOAO-CABCVRRESA-N 1 0 213.324 2.946 10 30 BFEERO C#CCC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000309533896 633189046 /nfs/dbraw/zinc/18/90/46/633189046.db2.gz DPUAZAZUOOUYJK-UHFFFAOYSA-N 1 0 248.376 2.985 10 30 BFEERO C#CCC[NH2+]Cc1ccc(OC)c2ccccc12 ZINC000094692433 636048830 /nfs/dbraw/zinc/04/88/30/636048830.db2.gz HZFSGLVTWVIHAW-UHFFFAOYSA-N 1 0 239.318 2.961 10 30 BFEERO C=CC[C@H](C)[NH2+][C@H]1CCc2c1cccc2O ZINC000169132630 636536443 /nfs/dbraw/zinc/53/64/43/636536443.db2.gz DGAUGTNCBYUVGE-GWCFXTLKSA-N 1 0 217.312 2.934 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231951097 641221006 /nfs/dbraw/zinc/22/10/06/641221006.db2.gz VZIVMXPVQBSAQH-YUMQZZPRSA-N 1 0 238.278 2.521 10 30 BFEERO C#CCCC[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000182491704 643026949 /nfs/dbraw/zinc/02/69/49/643026949.db2.gz CWSSLWFVDASMOT-ZDUSSCGKSA-N 1 0 231.339 2.802 10 30 BFEERO C#CCCCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000090397410 643410398 /nfs/dbraw/zinc/41/03/98/643410398.db2.gz CSKKQPYYIHSSOJ-GFCCVEGCSA-N 1 0 247.386 2.974 10 30 BFEERO CSC1CC([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000708306240 712186419 /nfs/dbraw/zinc/18/64/19/712186419.db2.gz ZFOXAYLAEPFCIT-YYJSSNLHSA-N 1 0 224.373 2.552 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711091363 712279582 /nfs/dbraw/zinc/27/95/82/712279582.db2.gz TXTZUQVJXCGUFB-NDKCEZKHSA-N 1 0 218.344 2.847 10 30 BFEERO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)C12CCC2 ZINC000713487730 712462146 /nfs/dbraw/zinc/46/21/46/712462146.db2.gz IUGRUXLZUGTISP-RFQIPJPRSA-N 1 0 248.370 2.616 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716543168 712567204 /nfs/dbraw/zinc/56/72/04/712567204.db2.gz GGMHVMFITMNFFS-IHRRRGAJSA-N 1 0 248.370 2.618 10 30 BFEERO C#CCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000380009379 712669652 /nfs/dbraw/zinc/66/96/52/712669652.db2.gz QXWOMHWUPIKHEB-CHWSQXEVSA-N 1 0 211.324 2.908 10 30 BFEERO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378690340 346809882 /nfs/dbraw/zinc/80/98/82/346809882.db2.gz IEEDNADMZGZOMY-REWJHTLYSA-N 1 0 225.376 2.870 10 30 BFEERO Cc1ccc(C#N)c(OCC[NH+]2CCCCC2)c1 ZINC000051598495 178365207 /nfs/dbraw/zinc/36/52/07/178365207.db2.gz ZKGOUIYUQHZTQD-UHFFFAOYSA-N 1 0 244.338 2.731 10 30 BFEERO Cc1ccc(C#N)c(N[C@@H](C)C[NH+]2CCCC2)c1 ZINC000051579817 178365263 /nfs/dbraw/zinc/36/52/63/178365263.db2.gz SXMXBKWGWKNCJA-ZDUSSCGKSA-N 1 0 243.354 2.763 10 30 BFEERO Cc1ccc(C#N)c(N[C@H](C[NH+](C)C)C(C)C)c1 ZINC000051579905 178365888 /nfs/dbraw/zinc/36/58/88/178365888.db2.gz CGIVESNTDHVLGG-OAHLLOKOSA-N 1 0 245.370 2.865 10 30 BFEERO C#CC[C@H]([NH3+])Cc1ccc(Cl)cc1Cl ZINC000051074704 346833284 /nfs/dbraw/zinc/83/32/84/346833284.db2.gz MONKSMCLUYNJOP-JTQLQIEISA-N 1 0 228.122 2.887 10 30 BFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000320494781 342734174 /nfs/dbraw/zinc/73/41/74/342734174.db2.gz IRZFAOAJDYOVJR-RKDXNWHRSA-N 1 0 237.734 2.749 10 30 BFEERO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000320494761 342734245 /nfs/dbraw/zinc/73/42/45/342734245.db2.gz IRZFAOAJDYOVJR-BDAKNGLRSA-N 1 0 237.734 2.749 10 30 BFEERO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CC1 ZINC000381512145 539002784 /nfs/dbraw/zinc/00/27/84/539002784.db2.gz XJYMBNFBHPVEJB-IHRRRGAJSA-N 1 0 223.360 2.624 10 30 BFEERO C=C(C)CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000386685092 539013631 /nfs/dbraw/zinc/01/36/31/539013631.db2.gz JBMLJKBNJQKMLA-GJZGRUSLSA-N 1 0 236.403 2.901 10 30 BFEERO C=C(C)CCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000386685093 539013763 /nfs/dbraw/zinc/01/37/63/539013763.db2.gz JBMLJKBNJQKMLA-HUUCEWRRSA-N 1 0 236.403 2.901 10 30 BFEERO C=C(C)[C@@H](CO)[NH2+]C(C)(C)c1cccs1 ZINC000389993610 539019294 /nfs/dbraw/zinc/01/92/94/539019294.db2.gz PLHBEWLMMINMNT-SNVBAGLBSA-N 1 0 225.357 2.510 10 30 BFEERO C=C(C)[C@H](CO)[NH2+]C(C)(C)c1cccs1 ZINC000389993609 539019455 /nfs/dbraw/zinc/01/94/55/539019455.db2.gz PLHBEWLMMINMNT-JTQLQIEISA-N 1 0 225.357 2.510 10 30 BFEERO C#C[C@H](CC)[NH2+][C@@H]1CSCC(C)(C)C1 ZINC000229895176 342853126 /nfs/dbraw/zinc/85/31/26/342853126.db2.gz QBOIEAPSIKLSCN-MNOVXSKESA-N 1 0 211.374 2.520 10 30 BFEERO C#CC[C@H]([NH3+])c1c(F)cccc1Br ZINC000165157900 342878001 /nfs/dbraw/zinc/87/80/01/342878001.db2.gz AWBTZFXKRHMRNI-VIFPVBQESA-N 1 0 242.091 2.611 10 30 BFEERO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000165203558 342882551 /nfs/dbraw/zinc/88/25/51/342882551.db2.gz DCRNDHQOZCXIFD-SWLSCSKDSA-N 1 0 244.338 2.524 10 30 BFEERO C=CC[N@H+]1CC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000116482100 342927265 /nfs/dbraw/zinc/92/72/65/342927265.db2.gz FWBNLHMKQSJLFM-GFCCVEGCSA-N 1 0 232.283 2.570 10 30 BFEERO C[C@@H]([NH2+]C[C@H](C)C#N)C1C(C)(C)C1(C)C ZINC000380035215 342976302 /nfs/dbraw/zinc/97/63/02/342976302.db2.gz RVODEVGXCPUREB-NXEZZACHSA-N 1 0 208.349 2.806 10 30 BFEERO N#CC1(C[NH+]2CCC3(CCOCC3)CC2)CCC1 ZINC000336271589 136263760 /nfs/dbraw/zinc/26/37/60/136263760.db2.gz ALJWFMBMOMDBFZ-UHFFFAOYSA-N 1 0 248.370 2.573 10 30 BFEERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000070851097 343514746 /nfs/dbraw/zinc/51/47/46/343514746.db2.gz XUPZIZDOUNPMMQ-NQBHXWOUSA-N 1 0 234.368 2.961 10 30 BFEERO CC[N@@H+]1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738275 343642950 /nfs/dbraw/zinc/64/29/50/343642950.db2.gz OPZKYIOCNPKDBN-CQSZACIVSA-N 1 0 214.312 2.758 10 30 BFEERO CC#CC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785820 346990083 /nfs/dbraw/zinc/99/00/83/346990083.db2.gz MGQDJZXZLXZMSU-LLVKDONJSA-N 1 0 211.667 2.892 10 30 BFEERO CC#CCCNc1cc[nH+]c(C)c1Cl ZINC000306554708 343844245 /nfs/dbraw/zinc/84/42/45/343844245.db2.gz BYQLCYUYGPSWFO-UHFFFAOYSA-N 1 0 208.692 2.869 10 30 BFEERO CC#CC[C@H](CCOCc1ccccc1)[NH2+]C ZINC000307557638 343942428 /nfs/dbraw/zinc/94/24/28/343942428.db2.gz BPUJVEUBUVFWMS-OAHLLOKOSA-N 1 0 231.339 2.595 10 30 BFEERO CC1(C)CC([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000395201543 344124303 /nfs/dbraw/zinc/12/43/03/344124303.db2.gz GKVFSKZBMSDANT-JQWIXIFHSA-N 1 0 206.333 2.847 10 30 BFEERO C#C[C@H]([NH3+])c1cc(Cl)ccc1Br ZINC000236290366 344337596 /nfs/dbraw/zinc/33/75/96/344337596.db2.gz ICKXOSAXIQDSIZ-VIFPVBQESA-N 1 0 244.519 2.736 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000054822798 344457040 /nfs/dbraw/zinc/45/70/40/344457040.db2.gz QDNWJBMSFYRVHD-AAEUAGOBSA-N 1 0 206.333 2.991 10 30 BFEERO N#Cc1cc(Cl)ccc1NCC1CC[NH2+]CC1 ZINC000052858741 344671994 /nfs/dbraw/zinc/67/19/94/344671994.db2.gz GYJBCFVCJWZZPN-UHFFFAOYSA-N 1 0 249.745 2.623 10 30 BFEERO C[C@@H]1C[C@H](C)[N@H+](CC(C)(C)CS)C1 ZINC000158403503 344644075 /nfs/dbraw/zinc/64/40/75/344644075.db2.gz DQCVTXZGHYOLSB-ZJUUUORDSA-N 1 0 201.379 2.673 10 30 BFEERO C[C@@H]1C[C@@H](C)[N@H+](CC(C)(C)CS)C1 ZINC000158403769 344644186 /nfs/dbraw/zinc/64/41/86/344644186.db2.gz DQCVTXZGHYOLSB-NXEZZACHSA-N 1 0 201.379 2.673 10 30 BFEERO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCC1 ZINC000235086646 344775173 /nfs/dbraw/zinc/77/51/73/344775173.db2.gz MLNOWQKVZSJZAG-VXGBXAGGSA-N 1 0 238.400 2.944 10 30 BFEERO CCN(CCC#N)[C@@H](c1cccc(C)c1)[C@@H](C)[NH3+] ZINC000042967479 169815802 /nfs/dbraw/zinc/81/58/02/169815802.db2.gz WEAOZCRWIUGCIB-UKRRQHHQSA-N 1 0 245.370 2.619 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000155556172 345090222 /nfs/dbraw/zinc/09/02/22/345090222.db2.gz GOYYMXLCKWGEBO-AWEZNQCLSA-N 1 0 245.370 2.587 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000155727424 345099645 /nfs/dbraw/zinc/09/96/45/345099645.db2.gz MTMAJFMHPQMGRR-GFCCVEGCSA-N 1 0 203.285 2.830 10 30 BFEERO CC(C)(C#N)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000227834892 534988913 /nfs/dbraw/zinc/98/89/13/534988913.db2.gz PPMJTOZHOAMQLF-OLZOCXBDSA-N 1 0 236.359 2.570 10 30 BFEERO CC[NH2+]CC#Cc1cc(Cl)ccc1Cl ZINC000229452140 345611197 /nfs/dbraw/zinc/61/11/97/345611197.db2.gz BLQZFMHKDZAISY-UHFFFAOYSA-N 1 0 228.122 2.954 10 30 BFEERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000252203019 345803514 /nfs/dbraw/zinc/80/35/14/345803514.db2.gz UMZHCPQSLYXVFO-MROQNXINSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@@H](C#N)C[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000380035221 365815430 /nfs/dbraw/zinc/81/54/30/365815430.db2.gz RVODEVGXCPUREB-VHSXEESVSA-N 1 0 208.349 2.806 10 30 BFEERO O/[N+](=C\c1ccncc1)Cc1ccccc1Cl ZINC000225441907 370652635 /nfs/dbraw/zinc/65/26/35/370652635.db2.gz VDNSXKMUDPHACR-SXGWCWSVSA-N 1 0 247.705 2.756 10 30 BFEERO Cc1cccc([C@@H]([C@@H](C)[NH3+])N(C)[C@@H](C)CC#N)c1 ZINC000063085282 179188805 /nfs/dbraw/zinc/18/88/05/179188805.db2.gz DSWOBXVNIJOZJX-GZBFAFLISA-N 1 0 245.370 2.617 10 30 BFEERO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000336760026 347258905 /nfs/dbraw/zinc/25/89/05/347258905.db2.gz LWIVBMLPUFRRFO-RTXFEEFZSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CS1 ZINC000594605458 348080313 /nfs/dbraw/zinc/08/03/13/348080313.db2.gz AYFZSVFCLRJLGI-NOOOWODRSA-N 1 0 224.373 2.552 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CS1 ZINC000594605461 348080323 /nfs/dbraw/zinc/08/03/23/348080323.db2.gz AYFZSVFCLRJLGI-WYUUTHIRSA-N 1 0 224.373 2.552 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CS1 ZINC000594605459 348080447 /nfs/dbraw/zinc/08/04/47/348080447.db2.gz AYFZSVFCLRJLGI-RHYQMDGZSA-N 1 0 224.373 2.552 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1CC=CC1 ZINC000595692431 348316941 /nfs/dbraw/zinc/31/69/41/348316941.db2.gz XNZGWKKUFUIZSG-CHWSQXEVSA-N 1 0 204.317 2.625 10 30 BFEERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C[C@H](C)O1 ZINC000595692930 348317462 /nfs/dbraw/zinc/31/74/62/348317462.db2.gz ZFWIARWKRNMBQY-ITGHMWBKSA-N 1 0 236.359 2.614 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000597084142 348655410 /nfs/dbraw/zinc/65/54/10/348655410.db2.gz XNEQBVQOTRKSDE-TUAOUCFPSA-N 1 0 224.373 2.554 10 30 BFEERO CCOC1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000597084104 348655485 /nfs/dbraw/zinc/65/54/85/348655485.db2.gz XECLBUZVDIWOOB-ABXWRUBCSA-N 1 0 236.359 2.616 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)CS1 ZINC000597197946 348673946 /nfs/dbraw/zinc/67/39/46/348673946.db2.gz ZXBYCHMIACQIKT-VOAKCMCISA-N 1 0 238.400 2.942 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C1 ZINC000253291359 348711897 /nfs/dbraw/zinc/71/18/97/348711897.db2.gz QOMVHQZRZGPMRC-NDBYEHHHSA-N 1 0 206.333 2.847 10 30 BFEERO CC(C)[N@@H+]1CC[C@H](c2ccccc2C#N)C1 ZINC000616613804 350067973 /nfs/dbraw/zinc/06/79/73/350067973.db2.gz RBMKPDFLFGEBKW-ZDUSSCGKSA-N 1 0 214.312 2.756 10 30 BFEERO Cc1nc([C@@H]([NH3+])CS)sc1C(C)C ZINC000083348765 180039793 /nfs/dbraw/zinc/03/97/93/180039793.db2.gz WWNLPRGGTZCGAH-ZETCQYMHSA-N 1 0 216.375 2.505 10 30 BFEERO C[N+]1(C)CCC(C#N)(CCc2ccccc2)CC1 ZINC000219250315 350118764 /nfs/dbraw/zinc/11/87/64/350118764.db2.gz ZSBAEPMOBFFXQX-UHFFFAOYSA-N 1 0 243.374 2.999 10 30 BFEERO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CC#N)C1 ZINC000034304848 350169042 /nfs/dbraw/zinc/16/90/42/350169042.db2.gz GZFXOEVEKNWDMG-CHWSQXEVSA-N 1 0 214.312 2.983 10 30 BFEERO CC(C)[N@@H+]1CC[C@@]2(CC[C@@H](CS)C2)C1 ZINC000100246671 191062893 /nfs/dbraw/zinc/06/28/93/191062893.db2.gz WVPFFXJXIDFGCN-VXGBXAGGSA-N 1 0 213.390 2.817 10 30 BFEERO CC(C)[N@@H+]1CCO[C@H](c2cccc(C#N)c2)CC1 ZINC000616591907 350425680 /nfs/dbraw/zinc/42/56/80/350425680.db2.gz ANVXNDXZUNQCOZ-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO C[N@@H+]1CCCC[C@H](c2cccc(C#N)c2)C1 ZINC000616603552 350790090 /nfs/dbraw/zinc/79/00/90/350790090.db2.gz WDBYLQVUQTVVSN-AWEZNQCLSA-N 1 0 214.312 2.758 10 30 BFEERO C[N@@H+]1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616602556 350791945 /nfs/dbraw/zinc/79/19/45/350791945.db2.gz MMZYIAJWACUBOM-AWEZNQCLSA-N 1 0 214.312 2.758 10 30 BFEERO C[N@@H+]1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616605301 350794073 /nfs/dbraw/zinc/79/40/73/350794073.db2.gz MMZYIAJWACUBOM-CQSZACIVSA-N 1 0 214.312 2.758 10 30 BFEERO CCCCCCCC(=O)N(CC)C[C@H](C)C[NH3+] ZINC000103407915 168647836 /nfs/dbraw/zinc/64/78/36/168647836.db2.gz WAGZCRIYADHVAN-CYBMUJFWSA-N 1 0 242.407 2.790 10 30 BFEERO SC/C=C/C[N@@H+]1CCCC12CCCC2 ZINC000306721625 350888505 /nfs/dbraw/zinc/88/85/05/350888505.db2.gz DVZLJQYWWRWLDF-ONEGZZNKSA-N 1 0 211.374 2.881 10 30 BFEERO C=CCC[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000129133716 350995443 /nfs/dbraw/zinc/99/54/43/350995443.db2.gz ANZZEUZXTFEOHR-LBPRGKRZSA-N 1 0 221.300 2.670 10 30 BFEERO C=CCCOCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336721595 351152608 /nfs/dbraw/zinc/15/26/08/351152608.db2.gz ZXJLFFZGUKIDQI-STQMWFEESA-N 1 0 229.339 2.697 10 30 BFEERO C=CC[NH+](CC=C)CC[C@H](O)c1ccc(F)cc1 ZINC000041144833 166334951 /nfs/dbraw/zinc/33/49/51/166334951.db2.gz CFZQXINATPDUTO-HNNXBMFYSA-N 1 0 249.329 2.923 10 30 BFEERO CCCCCCCc1nc(C[C@H]([NH3+])CC)no1 ZINC000103658651 168660091 /nfs/dbraw/zinc/66/00/91/168660091.db2.gz QCBFNOLBIQGHDO-LLVKDONJSA-N 1 0 239.363 2.862 10 30 BFEERO C=CCC[C@@H](C)[NH2+]C[C@H]1CC12CCOCC2 ZINC000336738095 351981663 /nfs/dbraw/zinc/98/16/63/351981663.db2.gz JZGJYVWDXIYICD-CHWSQXEVSA-N 1 0 223.360 2.747 10 30 BFEERO C[C@@H]1C[C@@H](S)C[N@@H+]1Cc1ccccc1 ZINC000307332897 352049001 /nfs/dbraw/zinc/04/90/01/352049001.db2.gz LBTDVLZVTGNQQM-ZYHUDNBSSA-N 1 0 207.342 2.579 10 30 BFEERO C[C@H]1[C@H](S)CC[N@@H+]1Cc1ccccc1 ZINC000307446300 352602114 /nfs/dbraw/zinc/60/21/14/352602114.db2.gz CXVYRAXVUKPVNF-CMPLNLGQSA-N 1 0 207.342 2.579 10 30 BFEERO CC#CCC[C@H]([NH3+])c1ncccc1Cl ZINC000232457965 352678509 /nfs/dbraw/zinc/67/85/09/352678509.db2.gz VPSPEEQJRCRQHR-JTQLQIEISA-N 1 0 208.692 2.538 10 30 BFEERO C=C[C@]1(O)CC[N@@H+](C(C)C)[C@@H]2CCCC[C@H]21 ZINC000255967805 188086223 /nfs/dbraw/zinc/08/62/23/188086223.db2.gz CSSKKACLAFJZIR-MCIONIFRSA-N 1 0 223.360 2.576 10 30 BFEERO C[NH+]1CCC(C#N)(Nc2cccc(Cl)c2)CC1 ZINC000037937319 188115777 /nfs/dbraw/zinc/11/57/77/188115777.db2.gz KIOMUGGTOPVKHY-UHFFFAOYSA-N 1 0 249.745 2.740 10 30 BFEERO C=CCOc1ccc2c(c1)CCC[C@H]2[NH3+] ZINC000044732478 188152853 /nfs/dbraw/zinc/15/28/53/188152853.db2.gz CANLUOAMAUTMOE-CYBMUJFWSA-N 1 0 203.285 2.588 10 30 BFEERO C=C(C)COc1cc(C[NH3+])cc2occc21 ZINC000073739616 188192417 /nfs/dbraw/zinc/19/24/17/188192417.db2.gz KWNCHSCHLOLXNF-UHFFFAOYSA-N 1 0 217.268 2.846 10 30 BFEERO C=C[C@H]1[NH2+]CCc2c(F)cc(Cl)cc21 ZINC000075662919 188222420 /nfs/dbraw/zinc/22/24/20/188222420.db2.gz VPHYFNBTTBPRDY-LLVKDONJSA-N 1 0 211.667 2.852 10 30 BFEERO C=CC[NH2+]C[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000053585823 188220010 /nfs/dbraw/zinc/22/00/10/188220010.db2.gz UGWULVPEQFNBIF-LBPRGKRZSA-N 1 0 231.339 2.718 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000165325716 353305001 /nfs/dbraw/zinc/30/50/01/353305001.db2.gz GJXUOTWXZXCKKV-SNVBAGLBSA-N 1 0 242.091 2.611 10 30 BFEERO ON=C1[C@@H]2CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000012506071 188460052 /nfs/dbraw/zinc/46/00/52/188460052.db2.gz NCSAXJSVFQSDGA-OKILXGFUSA-N 1 0 244.338 2.749 10 30 BFEERO N#CC1(c2c(F)cccc2Cl)CC[NH2+]CC1 ZINC000071549042 181030896 /nfs/dbraw/zinc/03/08/96/181030896.db2.gz BWAWCGNPYNOWHT-UHFFFAOYSA-N 1 0 238.693 2.624 10 30 BFEERO C=C(CC)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000313499705 491056371 /nfs/dbraw/zinc/05/63/71/491056371.db2.gz IKKLRRSIIITBTI-GJZGRUSLSA-N 1 0 236.403 2.901 10 30 BFEERO N#CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000049587337 181032578 /nfs/dbraw/zinc/03/25/78/181032578.db2.gz LLRRVHBPMZWOQV-GOOCMWNKSA-N 1 0 226.323 2.953 10 30 BFEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]CCc1cccnc1 ZINC000054825555 181058702 /nfs/dbraw/zinc/05/87/02/181058702.db2.gz GBDWSBFTRGPPRU-LSDHHAIUSA-N 1 0 243.354 2.686 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000054826566 181060069 /nfs/dbraw/zinc/06/00/69/181060069.db2.gz JMYUXRINLAENDV-RYUDHWBXSA-N 1 0 220.341 2.572 10 30 BFEERO N#Cc1ccc(-c2ccc(C[NH3+])c(F)c2)s1 ZINC000050266983 181095287 /nfs/dbraw/zinc/09/52/87/181095287.db2.gz RPCUTSYNKJGCFN-UHFFFAOYSA-N 1 0 232.283 2.885 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000093211572 181111593 /nfs/dbraw/zinc/11/15/93/181111593.db2.gz LFTSFLILLSOORD-RYUDHWBXSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@H]1CC[C@H](C[NH3+])C1 ZINC000335578790 181111782 /nfs/dbraw/zinc/11/17/82/181111782.db2.gz HFPVFSMZFXVEIX-CABZTGNLSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1ccc(N[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063214738 181125473 /nfs/dbraw/zinc/12/54/73/181125473.db2.gz NSYIZPVKUDJVIX-KBPBESRZSA-N 1 0 229.327 2.630 10 30 BFEERO C=C(C)CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227599826 491063995 /nfs/dbraw/zinc/06/39/95/491063995.db2.gz OMVACDWZVFAVPZ-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO N#Cc1ccccc1O[C@H](C[NH3+])c1ccccc1 ZINC000042899734 181150113 /nfs/dbraw/zinc/15/01/13/181150113.db2.gz BPWTZIIFAPFNIA-OAHLLOKOSA-N 1 0 238.290 2.637 10 30 BFEERO COC1(CC[NH2+][C@@H]2CCCC[C@@H]2C#N)CCC1 ZINC000383888678 355657709 /nfs/dbraw/zinc/65/77/09/355657709.db2.gz UHXBIYJCWXPNLV-CHWSQXEVSA-N 1 0 236.359 2.618 10 30 BFEERO C#CC[C@@H]([NH3+])c1cccc(Br)c1C ZINC000168641309 356480979 /nfs/dbraw/zinc/48/09/79/356480979.db2.gz QCTSLOJXASYELA-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO C[C@@H]1C[N@@H+](CC2(C#N)CCC2)C[C@H](C)S1 ZINC000336201187 134130273 /nfs/dbraw/zinc/13/02/73/134130273.db2.gz XLTYGHAIZQMIAB-PHIMTYICSA-N 1 0 224.373 2.506 10 30 BFEERO CC[NH2+][C@H](C)CNc1ccc(Cl)cc1C#N ZINC000387457358 366328594 /nfs/dbraw/zinc/32/85/94/366328594.db2.gz OUXZFPRDIXCNOR-SECBINFHSA-N 1 0 237.734 2.622 10 30 BFEERO C#CC[C@H]([NH3+])c1cccc(F)c1Br ZINC000168666149 356992865 /nfs/dbraw/zinc/99/28/65/356992865.db2.gz OCOJMOIBMJJHJB-VIFPVBQESA-N 1 0 242.091 2.611 10 30 BFEERO C=CC[C@H]([NH3+])[C@H]1CSc2ccccc21 ZINC000160712712 357287604 /nfs/dbraw/zinc/28/76/04/357287604.db2.gz MLLHHDHVOYNWPF-QWRGUYRKSA-N 1 0 205.326 2.779 10 30 BFEERO C#CC[N@@H+](CC)[C@@H]1CCc2ccc(OC)cc2C1 ZINC000584626327 358295868 /nfs/dbraw/zinc/29/58/68/358295868.db2.gz WWRIXUKDGWLTAT-OAHLLOKOSA-N 1 0 243.350 2.508 10 30 BFEERO C=CCc1cc(N)cc(C[NH+](CC)CC)c1O ZINC000584651257 358306171 /nfs/dbraw/zinc/30/61/71/358306171.db2.gz LDFGXLXWJSOUFA-UHFFFAOYSA-N 1 0 234.343 2.545 10 30 BFEERO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H]1C ZINC000052273725 358777458 /nfs/dbraw/zinc/77/74/58/358777458.db2.gz OSBZMESDABFISS-DGCLKSJQSA-N 1 0 217.312 2.749 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000054825596 358876369 /nfs/dbraw/zinc/87/63/69/358876369.db2.gz HQTAIEVCAQHVDV-GJZGRUSLSA-N 1 0 228.339 2.901 10 30 BFEERO CC[C@](C)([NH3+])C#Cc1ccsc1Cl ZINC000306286184 359518592 /nfs/dbraw/zinc/51/85/92/359518592.db2.gz DGXWEWNJEVJLLE-JTQLQIEISA-N 1 0 213.733 2.880 10 30 BFEERO CN/C(=[NH+]\C)SC1CCCCCC1 ZINC000306519414 360343541 /nfs/dbraw/zinc/34/35/41/360343541.db2.gz IUIRIPDJIQOSKX-UHFFFAOYSA-N 1 0 200.351 2.648 10 30 BFEERO C=C(Br)C[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000306520800 360357406 /nfs/dbraw/zinc/35/74/06/360357406.db2.gz FGZVAQWVTMDHAR-MBTKJCJQSA-N 1 0 232.165 2.919 10 30 BFEERO C#CC[C@H]([NH3+])c1cccc2ccsc21 ZINC000306522110 360358852 /nfs/dbraw/zinc/35/88/52/360358852.db2.gz OVHBXJBZIKLLKN-NSHDSACASA-N 1 0 201.294 2.924 10 30 BFEERO CC[C@](C)([NH3+])C#Cc1occc1Br ZINC000306637609 361569179 /nfs/dbraw/zinc/56/91/79/361569179.db2.gz BOYRNIMIXWHTGC-JTQLQIEISA-N 1 0 242.116 2.521 10 30 BFEERO CC[C@@H](C)[N@H+](CCC=O)Cc1ccccc1 ZINC000306640145 361588742 /nfs/dbraw/zinc/58/87/42/361588742.db2.gz OZCCXWBXZUROTN-CYBMUJFWSA-N 1 0 219.328 2.876 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000037165835 361711844 /nfs/dbraw/zinc/71/18/44/361711844.db2.gz JJLOOABQFBGZMW-GLQYFDAESA-N 1 0 244.338 2.512 10 30 BFEERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000614403551 363807028 /nfs/dbraw/zinc/80/70/28/363807028.db2.gz JMRCZGZJJNGAPS-CABCVRRESA-N 1 0 226.323 2.851 10 30 BFEERO [NH3+]CC#Cc1cccc(COC2CCCCC2)c1 ZINC000049610324 181346292 /nfs/dbraw/zinc/34/62/92/181346292.db2.gz FHLARCDMFZGGBV-UHFFFAOYSA-N 1 0 243.350 2.846 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250839524 364585460 /nfs/dbraw/zinc/58/54/60/364585460.db2.gz DOJZOMDCNBTVET-LZWOXQAQSA-N 1 0 240.350 2.998 10 30 BFEERO CCC[NH+]1CCC(N[C@@H]2CCCC[C@H]2C#N)CC1 ZINC000054827109 369100353 /nfs/dbraw/zinc/10/03/53/369100353.db2.gz YPMJRQBMOAVHPR-DZGCQCFKSA-N 1 0 249.402 2.533 10 30 BFEERO C[C@H](CC1CC1)[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000069664822 370971601 /nfs/dbraw/zinc/97/16/01/370971601.db2.gz FHYPLROAKFXBGW-RTXFEEFZSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C#N)CCCS1 ZINC000250821200 369600295 /nfs/dbraw/zinc/60/02/95/369600295.db2.gz ZWOJFRCDGRWEFA-RWMBFGLXSA-N 1 0 238.400 2.944 10 30 BFEERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251051012 369644774 /nfs/dbraw/zinc/64/47/74/369644774.db2.gz AKTVLOYEZGGMEW-MBNYWOFBSA-N 1 0 232.327 2.883 10 30 BFEERO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CCO1 ZINC000251128534 369675048 /nfs/dbraw/zinc/67/50/48/369675048.db2.gz GNZKVNNMNACHNA-YNEHKIRRSA-N 1 0 236.359 2.616 10 30 BFEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(C#N)cc1F ZINC000133589337 372079201 /nfs/dbraw/zinc/07/92/01/372079201.db2.gz ZKUJVUAVUQZGLL-CYBMUJFWSA-N 1 0 249.333 2.507 10 30 BFEERO O=C(C[n+]1ccsc1Cl)c1ccccc1 ZINC000098179167 182033285 /nfs/dbraw/zinc/03/32/85/182033285.db2.gz RGSXZCOXQRWLSI-UHFFFAOYSA-N 1 0 238.719 2.572 10 30 BFEERO CCC[NH+](CCC)Cc1cccc(C#CCO)c1 ZINC000049616304 169149142 /nfs/dbraw/zinc/14/91/42/169149142.db2.gz XQIQLLFUKDQOPS-UHFFFAOYSA-N 1 0 245.366 2.652 10 30 BFEERO CCCN[C@@H](C#N)CC[N@H+](CC)C1CCCC1 ZINC000062434767 169273065 /nfs/dbraw/zinc/27/30/65/169273065.db2.gz SWSINWUFEKBDDG-CYBMUJFWSA-N 1 0 237.391 2.533 10 30 BFEERO CCCN[C@@H](C#N)CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000062369336 169273177 /nfs/dbraw/zinc/27/31/77/169273177.db2.gz DBEQMWOWHDXGEK-HZSPNIEDSA-N 1 0 237.391 2.531 10 30 BFEERO CCCN[C@@H](C#N)CC[N@H+](C)[C@@H](C)CC(C)C ZINC000062437552 169274015 /nfs/dbraw/zinc/27/40/15/169274015.db2.gz MCLAJMIBMQNORN-UONOGXRCSA-N 1 0 239.407 2.635 10 30 BFEERO CCCN[C@](C)(C#N)CC[N@@H+]1CCCC1(C)C ZINC000063072523 169292792 /nfs/dbraw/zinc/29/27/92/169292792.db2.gz UFUSGPUEUNHZLN-AWEZNQCLSA-N 1 0 237.391 2.533 10 30 BFEERO CCCNc1sc2c(c1C#N)CC[N@@H+](CC)C2 ZINC000039123402 169296616 /nfs/dbraw/zinc/29/66/16/169296616.db2.gz QGEZYHPCUHUTQZ-UHFFFAOYSA-N 1 0 249.383 2.820 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000165051367 384371566 /nfs/dbraw/zinc/37/15/66/384371566.db2.gz AIULVMXQMKVTMT-KBPBESRZSA-N 1 0 214.312 2.836 10 30 BFEERO CC(C)[NH2+][C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000084553469 384737173 /nfs/dbraw/zinc/73/71/73/384737173.db2.gz PPIIHKWLBGQRJL-CQSZACIVSA-N 1 0 243.354 2.525 10 30 BFEERO Cc1cnn([C@H]2CCC[N@H+](CCCCC#N)C2)c1 ZINC000105901723 384886702 /nfs/dbraw/zinc/88/67/02/384886702.db2.gz OESDXLOUNZAXEX-AWEZNQCLSA-N 1 0 246.358 2.522 10 30 BFEERO C=CC[NH2+][C@H]1CSCc2ccccc21 ZINC000037185086 385601595 /nfs/dbraw/zinc/60/15/95/385601595.db2.gz KTQULUMCNUAOOM-LBPRGKRZSA-N 1 0 205.326 2.750 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000595484005 385630581 /nfs/dbraw/zinc/63/05/81/385630581.db2.gz WFWNWZHGOYPXAA-STQMWFEESA-N 1 0 206.333 2.849 10 30 BFEERO C#CC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000164590522 386079688 /nfs/dbraw/zinc/07/96/88/386079688.db2.gz VEGJYQLDOBSXMP-MJBXVCDLSA-N 1 0 235.371 2.726 10 30 BFEERO C=C(C)COCC[NH2+]CC1CCC(C)CC1 ZINC000133195770 386296636 /nfs/dbraw/zinc/29/66/36/386296636.db2.gz OAUSEEMZIZSENQ-UHFFFAOYSA-N 1 0 225.376 2.995 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000061892616 386553053 /nfs/dbraw/zinc/55/30/53/386553053.db2.gz PJHIMBRXQAVFHY-UHTWSYAYSA-N 1 0 206.333 2.847 10 30 BFEERO C=CCC[C@@H]([NH3+])c1c(F)ccc(OC)c1F ZINC000575439032 387121450 /nfs/dbraw/zinc/12/14/50/387121450.db2.gz ORPPCBUETDXDCC-SECBINFHSA-N 1 0 227.254 2.939 10 30 BFEERO C=CCC[C@@H]([NH3+])c1cc(F)cc(C)c1O ZINC000575439413 387123246 /nfs/dbraw/zinc/12/32/46/387123246.db2.gz JLQNAFHIYUNIJL-LLVKDONJSA-N 1 0 209.264 2.806 10 30 BFEERO C#CC[C@H]([NH3+])c1cc2cscc2s1 ZINC000575491785 387277208 /nfs/dbraw/zinc/27/72/08/387277208.db2.gz KDEQBQHAWHXHSX-QMMMGPOBSA-N 1 0 207.323 2.986 10 30 BFEERO [NH3+]CCCC#Cc1cccc(Br)c1 ZINC000575494401 387278660 /nfs/dbraw/zinc/27/86/60/387278660.db2.gz WPMXQDQWUMXXQE-UHFFFAOYSA-N 1 0 238.128 2.540 10 30 BFEERO C=CCCCCC[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352669420 387433021 /nfs/dbraw/zinc/43/30/21/387433021.db2.gz ZRMGLANHZGBCPL-QWHCGFSZSA-N 1 0 211.349 2.578 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(C#N)c1 ZINC000052274734 387466361 /nfs/dbraw/zinc/46/63/61/387466361.db2.gz LFWUZBAXVKXPRK-OUJBWJOFSA-N 1 0 200.285 2.617 10 30 BFEERO C=CC(C)(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000527927937 387793582 /nfs/dbraw/zinc/79/35/82/387793582.db2.gz SAKDZCUTAZFNTL-XQQFMLRXSA-N 1 0 237.387 2.992 10 30 BFEERO C=C(C)C[NH2+][C@H]1CCc2c1cccc2O ZINC000160299354 388056944 /nfs/dbraw/zinc/05/69/44/388056944.db2.gz GEGOYSZORFDKLA-LBPRGKRZSA-N 1 0 203.285 2.545 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000134003959 388391085 /nfs/dbraw/zinc/39/10/85/388391085.db2.gz YODWIDWWGODQCX-MWODSPESSA-N 1 0 218.275 2.756 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000134003752 388391440 /nfs/dbraw/zinc/39/14/40/388391440.db2.gz YODWIDWWGODQCX-VYUIOLGVSA-N 1 0 218.275 2.756 10 30 BFEERO C#C[C@H]([NH2+]C)c1cc2cscc2s1 ZINC000575491490 388928618 /nfs/dbraw/zinc/92/86/18/388928618.db2.gz DQCIHHNSAAADAC-QMMMGPOBSA-N 1 0 207.323 2.857 10 30 BFEERO N#Cc1ccccc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000336152048 134104488 /nfs/dbraw/zinc/10/44/88/134104488.db2.gz APQIXSXGWJPEMU-ZIAGYGMSSA-N 1 0 212.296 2.543 10 30 BFEERO C=C(Cl)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000370094490 134597421 /nfs/dbraw/zinc/59/74/21/134597421.db2.gz YKCPHAURDGSMJX-GRYCIOLGSA-N 1 0 241.762 2.676 10 30 BFEERO CCCC[C@H](C[NH3+])Nc1ccc(C#N)cc1F ZINC000130545600 134620049 /nfs/dbraw/zinc/62/00/49/134620049.db2.gz OEKGVYVHLSAQOF-LLVKDONJSA-N 1 0 235.306 2.627 10 30 BFEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(F)cc1C#N ZINC000133606761 134686934 /nfs/dbraw/zinc/68/69/34/134686934.db2.gz HYRUENQJTJOFQA-ZDUSSCGKSA-N 1 0 249.333 2.507 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250860421 135058243 /nfs/dbraw/zinc/05/82/43/135058243.db2.gz SGMXAJNPHLBGIU-GZBFAFLISA-N 1 0 226.323 2.608 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000250837196 135059341 /nfs/dbraw/zinc/05/93/41/135059341.db2.gz BQPSJZNRGDDVOT-QEJZJMRPSA-N 1 0 226.323 2.956 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000250845770 135059682 /nfs/dbraw/zinc/05/96/82/135059682.db2.gz IJOQXGSAUVOYAB-HRCADAONSA-N 1 0 240.350 2.826 10 30 BFEERO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253091526 135120915 /nfs/dbraw/zinc/12/09/15/135120915.db2.gz JUMLNXMLZNEZII-MGPQQGTHSA-N 1 0 223.360 2.578 10 30 BFEERO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253626117 135127434 /nfs/dbraw/zinc/12/74/34/135127434.db2.gz XKNOGIJWSCEVGY-RBSFLKMASA-N 1 0 237.387 2.968 10 30 BFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000262391960 135298296 /nfs/dbraw/zinc/29/82/96/135298296.db2.gz MJBXCEBFCDCTKN-SCUASFONSA-N 1 0 249.402 2.529 10 30 BFEERO CCC[C@H]1C[C@@H]1NC(=[NH2+])Nc1cccc(C)c1 ZINC000262485936 135302153 /nfs/dbraw/zinc/30/21/53/135302153.db2.gz WOOCAWPDVDEQHD-AAEUAGOBSA-N 1 0 231.343 2.910 10 30 BFEERO C[NH+]=C(N[C@H](C)c1ccccc1)N[C@@H]1CC1(C)C ZINC000262947438 135324704 /nfs/dbraw/zinc/32/47/04/135324704.db2.gz AZAMGMKVZOEYGP-DGCLKSJQSA-N 1 0 245.370 2.711 10 30 BFEERO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2CCC23CCCC3)C1 ZINC000263270272 135343739 /nfs/dbraw/zinc/34/37/39/135343739.db2.gz OXYDQHSQEOOAOR-CHWSQXEVSA-N 1 0 249.402 2.756 10 30 BFEERO [NH2+]=C(N[C@@H]1CCC12CCCC2)N1CCCCCC1 ZINC000263300580 135345306 /nfs/dbraw/zinc/34/53/06/135345306.db2.gz ZGWSTHVGIDMVJJ-CYBMUJFWSA-N 1 0 249.402 2.900 10 30 BFEERO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCC#N)o1 ZINC000278899598 135369408 /nfs/dbraw/zinc/36/94/08/135369408.db2.gz IPJVTWUFUSFISB-MWLCHTKSSA-N 1 0 206.289 2.931 10 30 BFEERO N#Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c1 ZINC000334415873 135395040 /nfs/dbraw/zinc/39/50/40/135395040.db2.gz PWICRYXDUIYDSD-KGLIPLIRSA-N 1 0 212.296 2.543 10 30 BFEERO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000182599791 397826365 /nfs/dbraw/zinc/82/63/65/397826365.db2.gz ZWURNQQDOVKBPX-NEPJUHHUSA-N 1 0 223.316 2.566 10 30 BFEERO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2C#N)s1 ZINC000054828691 398012367 /nfs/dbraw/zinc/01/23/67/398012367.db2.gz UBJLINGVUKXOTL-PWSUYJOCSA-N 1 0 220.341 2.838 10 30 BFEERO C#CCC[C@H](Cc1cccc(OC)c1)[NH2+]CC ZINC000104352855 166152045 /nfs/dbraw/zinc/15/20/45/166152045.db2.gz FVEREFGBLLIZER-CQSZACIVSA-N 1 0 231.339 2.629 10 30 BFEERO C#CC[NH2+]C[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000053566021 166186691 /nfs/dbraw/zinc/18/66/91/166186691.db2.gz SRGFIVKVQHYYCT-CYBMUJFWSA-N 1 0 245.366 2.974 10 30 BFEERO C#CC[NH2+]C[C@H](C)Oc1ccccc1/C=C/C ZINC000053562678 166188895 /nfs/dbraw/zinc/18/88/95/166188895.db2.gz DGKNFJDVBKPKBB-GBVBUYCNSA-N 1 0 229.323 2.710 10 30 BFEERO C#CC[NH2+][C@@H](C)Cc1ccc(SC)cc1 ZINC000049014837 166190975 /nfs/dbraw/zinc/19/09/75/166190975.db2.gz UPHGABWYFBVICE-NSHDSACASA-N 1 0 219.353 2.562 10 30 in-vivo BFEERO C=CCCOc1cc(C[NH2+]C)c2ccccc2n1 ZINC000051522842 166276614 /nfs/dbraw/zinc/27/66/14/166276614.db2.gz DLMOPYQERHESJD-UHFFFAOYSA-N 1 0 242.322 2.909 10 30 BFEERO C=CCN(CC=C)C[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071291 166333861 /nfs/dbraw/zinc/33/38/61/166333861.db2.gz DVULAKUXTHEJSM-ILXRZTDVSA-N 1 0 234.387 2.581 10 30 BFEERO C=CC[NH+](CC=C)C[C@](C)(CO)c1ccccc1 ZINC000051293128 166334150 /nfs/dbraw/zinc/33/41/50/166334150.db2.gz QDAZLOVARDHZDS-MRXNPFEDSA-N 1 0 245.366 2.611 10 30 BFEERO C=CC[NH+](CC=C)CC[C@@H](O)c1cccc(F)c1 ZINC000053986845 166335016 /nfs/dbraw/zinc/33/50/16/166335016.db2.gz DCIFDJDTQIJWGE-OAHLLOKOSA-N 1 0 249.329 2.923 10 30 BFEERO C=CCN(CC=C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071284 166335958 /nfs/dbraw/zinc/33/59/58/166335958.db2.gz DVULAKUXTHEJSM-KKUMJFAQSA-N 1 0 234.387 2.581 10 30 BFEERO C=CCN(CC=C)c1ccccc1[C@H](C)[NH3+] ZINC000019871904 166339623 /nfs/dbraw/zinc/33/96/23/166339623.db2.gz DNWZCMZEGIXWSG-LBPRGKRZSA-N 1 0 216.328 2.885 10 30 BFEERO C=CC[N@H+]1CC[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000013826915 166358095 /nfs/dbraw/zinc/35/80/95/166358095.db2.gz NLAWPJROLJRPAW-QWHCGFSZSA-N 1 0 229.323 2.682 10 30 BFEERO C=CC[NH2+]CC[C@@H](O)c1ccc2c(c1)CCCC2 ZINC000049833891 166398845 /nfs/dbraw/zinc/39/88/45/166398845.db2.gz OFCLTBZJCGSHQC-MRXNPFEDSA-N 1 0 245.366 2.765 10 30 BFEERO C=CC[NH2+]CC[C@H](O)c1ccc(Cl)s1 ZINC000049822247 166398992 /nfs/dbraw/zinc/39/89/92/166398992.db2.gz LJLGXLSBVHCVHJ-QMMMGPOBSA-N 1 0 231.748 2.601 10 30 BFEERO C=CC[NH2+]CC[C@H](O)c1ccc(C)cc1C ZINC000049817442 166399122 /nfs/dbraw/zinc/39/91/22/166399122.db2.gz FDLLSIZCGLGZAI-AWEZNQCLSA-N 1 0 219.328 2.503 10 30 BFEERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054597645 167007296 /nfs/dbraw/zinc/00/72/96/167007296.db2.gz CDPKPTAFTMPBIV-GJZGRUSLSA-N 1 0 228.339 2.907 10 30 BFEERO CC(C)CN[C@]1(C#N)CCc2ccccc2C1 ZINC000037939305 167015767 /nfs/dbraw/zinc/01/57/67/167015767.db2.gz SBUFYCDPOJBLSD-OAHLLOKOSA-N 1 0 228.339 2.683 10 30 BFEERO CC(C)OCC[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000134949320 167245341 /nfs/dbraw/zinc/24/53/41/167245341.db2.gz JSLFQORBMTURTK-SNVBAGLBSA-N 1 0 238.356 2.695 10 30 BFEERO CCC(C)(C)OCc1ccc(F)cc1C#CC[NH3+] ZINC000049610956 168304283 /nfs/dbraw/zinc/30/42/83/168304283.db2.gz SDTWOPSWZWSYSA-UHFFFAOYSA-N 1 0 249.329 2.841 10 30 BFEERO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)C(C)(C)C ZINC000310032388 170905390 /nfs/dbraw/zinc/90/53/90/170905390.db2.gz RLVVQQZYEJFFRN-SNVBAGLBSA-N 1 0 237.372 2.929 10 30 BFEERO CC[C@H](C)C[N@H+](C)Cc1ccccc1C#CCO ZINC000049617890 171274527 /nfs/dbraw/zinc/27/45/27/171274527.db2.gz SHLYUSONQXXYCD-AWEZNQCLSA-N 1 0 245.366 2.508 10 30 BFEERO CC[C@H](C)[N@H+](C)Cc1cccc(C#CCCO)c1 ZINC000049617227 171308377 /nfs/dbraw/zinc/30/83/77/171308377.db2.gz CKFHNSVJWIEVJT-AWEZNQCLSA-N 1 0 245.366 2.651 10 30 BFEERO CC[C@H](C)[N@H+](CCOC)Cc1ccccc1C#N ZINC000048069046 171315788 /nfs/dbraw/zinc/31/57/88/171315788.db2.gz MRNGYWDLECKSBN-ZDUSSCGKSA-N 1 0 246.354 2.805 10 30 BFEERO COC1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000319926161 174003872 /nfs/dbraw/zinc/00/38/72/174003872.db2.gz SGTLNBQBOVUXMG-CHWSQXEVSA-N 1 0 236.359 2.618 10 30 BFEERO COc1ccc(-c2ccc(C#N)s2)cc1C[NH3+] ZINC000050266977 175032672 /nfs/dbraw/zinc/03/26/72/175032672.db2.gz FRTZRCJQXJPFSI-UHFFFAOYSA-N 1 0 244.319 2.754 10 30 BFEERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000336782707 176447039 /nfs/dbraw/zinc/44/70/39/176447039.db2.gz YOFZZRSOIULBEM-OWYVNGRQSA-N 1 0 212.296 2.544 10 30 BFEERO C[C@H]1CCCC[N@H+](CC2(C#N)CCC2)C1 ZINC000336257188 177071192 /nfs/dbraw/zinc/07/11/92/177071192.db2.gz ATYSDQDWECSLQO-LBPRGKRZSA-N 1 0 206.333 2.802 10 30 BFEERO C[C@H]1C[C@@H]1C[N@H+](C)C[C@@](C)(C=O)c1ccccc1 ZINC000104422227 177342266 /nfs/dbraw/zinc/34/22/66/177342266.db2.gz RCEWLTCTKWODTH-LZWOXQAQSA-N 1 0 245.366 2.731 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000394815012 262748552 /nfs/dbraw/zinc/74/85/52/262748552.db2.gz QSVCHUPKHHPZRW-AVGNSLFASA-N 1 0 218.344 2.991 10 30 BFEERO C=CC[N@H+]1CC[C@@](CC)(c2cccc(O)c2)C1 ZINC000584650231 488020152 /nfs/dbraw/zinc/02/01/52/488020152.db2.gz RCPYDPZCVIPDQD-OAHLLOKOSA-N 1 0 231.339 2.932 10 30 BFEERO C=CC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121212361 534819075 /nfs/dbraw/zinc/81/90/75/534819075.db2.gz FXNJKNXSXSTDOX-STQMWFEESA-N 1 0 223.360 2.842 10 30 BFEERO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1S ZINC000242495505 525006488 /nfs/dbraw/zinc/00/64/88/525006488.db2.gz GGFAEBAPIVACQB-DGCLKSJQSA-N 1 0 221.369 2.827 10 30 BFEERO CC1=C(C)C[N@H+](CC2(C#N)CCC2)CC1 ZINC000336260385 535235240 /nfs/dbraw/zinc/23/52/40/535235240.db2.gz OBLHSWBWHCIIBS-UHFFFAOYSA-N 1 0 204.317 2.722 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCOC1CCCCC1 ZINC000111638310 588764893 /nfs/dbraw/zinc/76/48/93/588764893.db2.gz IHWSCOVFKLYLCT-GXTWGEPZSA-N 1 0 236.359 2.618 10 30 BFEERO CCCCCCCC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000118124436 583953262 /nfs/dbraw/zinc/95/32/62/583953262.db2.gz OKTTYSRQQCATKF-QWHCGFSZSA-N 1 0 240.391 2.604 10 30 BFEERO C#CCCCC[NH2+]CCc1ccccc1 ZINC000229310549 640947209 /nfs/dbraw/zinc/94/72/09/640947209.db2.gz JKEILNCIFYYCIK-UHFFFAOYSA-N 1 0 201.313 2.622 10 30 BFEERO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891033 641004066 /nfs/dbraw/zinc/00/40/66/641004066.db2.gz PJTNGLHGZPWDQJ-DZGCQCFKSA-N 1 0 243.354 2.534 10 30 BFEERO C#CCOc1ccccc1C[NH2+][C@@H]1C[C@@H]1CCC ZINC000231674081 641192694 /nfs/dbraw/zinc/19/26/94/641192694.db2.gz RDGLUVAAUMZCOR-DZGCQCFKSA-N 1 0 243.350 2.977 10 30 BFEERO C#CCOc1ccccc1C[NH2+][C@H]1C[C@H]1CCC ZINC000231674092 641192896 /nfs/dbraw/zinc/19/28/96/641192896.db2.gz RDGLUVAAUMZCOR-HIFRSBDPSA-N 1 0 243.350 2.977 10 30 BFEERO C=C(Cl)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308187793 642481523 /nfs/dbraw/zinc/48/15/23/642481523.db2.gz KSIHJXIFEZKJRL-ZJUUUORDSA-N 1 0 205.704 2.857 10 30 BFEERO C#CCC[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000070246208 643004400 /nfs/dbraw/zinc/00/44/00/643004400.db2.gz BGZOWUKCDCHSLN-UHFFFAOYSA-N 1 0 229.279 2.554 10 30 BFEERO C#CCC[NH2+]Cc1ccccc1Br ZINC000070558118 643041528 /nfs/dbraw/zinc/04/15/28/643041528.db2.gz RKMJXGRRHJJVJE-UHFFFAOYSA-N 1 0 238.128 2.562 10 30 BFEERO C#CC[C@H](COC)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000708807200 712199483 /nfs/dbraw/zinc/19/94/83/712199483.db2.gz GYJQUOWSCAUCEW-BFHYXJOUSA-N 1 0 237.387 2.829 10 30 BFEERO C=CC[C@H](C)[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000715027508 712504750 /nfs/dbraw/zinc/50/47/50/712504750.db2.gz CQLIOGFCTAYBCW-IHRRRGAJSA-N 1 0 223.360 2.578 10 30 BFEERO CC1(C)C[NH2+]C[C@H]1Nc1ccc(Cl)cc1C#N ZINC000721858876 711791805 /nfs/dbraw/zinc/79/18/05/711791805.db2.gz GDIUDDHRZMYGKW-GFCCVEGCSA-N 1 0 249.745 2.622 10 30 BFEERO CCCCCCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000705954584 712138457 /nfs/dbraw/zinc/13/84/57/712138457.db2.gz QTSXLKMUYUXGRK-QWHCGFSZSA-N 1 0 240.391 2.591 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711421624 712299145 /nfs/dbraw/zinc/29/91/45/712299145.db2.gz LOYJDRCAQJRXIM-MELADBBJSA-N 1 0 248.370 2.760 10 30 BFEERO C#CCSCC[NH2+][C@H](CC)C(C)(C)C ZINC000379661218 712391637 /nfs/dbraw/zinc/39/16/37/712391637.db2.gz PUKUPPAKENEXMJ-LLVKDONJSA-N 1 0 213.390 2.767 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712654712 712440033 /nfs/dbraw/zinc/44/00/33/712440033.db2.gz WWTOGZSZIQSSDU-MQYQWHSLSA-N 1 0 218.344 2.704 10 30 BFEERO COCC1CC([NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000713976741 712475526 /nfs/dbraw/zinc/47/55/26/712475526.db2.gz AWSNSSAAXXSOAP-NUYPLMSZSA-N 1 0 244.338 2.634 10 30 BFEERO C=CC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000715027510 712504549 /nfs/dbraw/zinc/50/45/49/712504549.db2.gz CQLIOGFCTAYBCW-MELADBBJSA-N 1 0 223.360 2.578 10 30 BFEERO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000378690339 346809892 /nfs/dbraw/zinc/80/98/92/346809892.db2.gz IEEDNADMZGZOMY-AAVRWANBSA-N 1 0 225.376 2.870 10 30 BFEERO C=C(C[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000258078572 349491306 /nfs/dbraw/zinc/49/13/06/349491306.db2.gz FSSZBPXQTQFSEY-UHFFFAOYSA-N 1 0 201.191 2.677 10 30 BFEERO Cc1ccc(C#N)c(OC2CCC([NH3+])CC2)c1 ZINC000055143433 178365500 /nfs/dbraw/zinc/36/55/00/178365500.db2.gz HTWKEPNKDBGVAU-UHFFFAOYSA-N 1 0 230.311 2.515 10 30 BFEERO C[C@H]([NH3+])C[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000320494775 342734280 /nfs/dbraw/zinc/73/42/80/342734280.db2.gz IRZFAOAJDYOVJR-IUCAKERBSA-N 1 0 237.734 2.749 10 30 BFEERO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccccc1C ZINC000390678457 539026910 /nfs/dbraw/zinc/02/69/10/539026910.db2.gz YPWCANQUULREIP-GXTWGEPZSA-N 1 0 219.328 2.583 10 30 BFEERO C#C[C@@H](C)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000166382823 398298605 /nfs/dbraw/zinc/29/86/05/398298605.db2.gz BLECCJUJSGVUIB-LRVUVFPRSA-N 1 0 213.324 2.852 10 30 BFEERO CC[C@H]([NH3+])C#Cc1cscc1Br ZINC000229905157 342854563 /nfs/dbraw/zinc/85/45/63/342854563.db2.gz XZRYCGIQSKEROB-QMMMGPOBSA-N 1 0 244.157 2.599 10 30 BFEERO C#CCC[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000165120986 342876579 /nfs/dbraw/zinc/87/65/79/342876579.db2.gz KXFPSWMMZLAFKY-NSHDSACASA-N 1 0 211.667 2.892 10 30 BFEERO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000165203319 342882673 /nfs/dbraw/zinc/88/26/73/342882673.db2.gz DCRNDHQOZCXIFD-WFASDCNBSA-N 1 0 244.338 2.524 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc(Br)cn1 ZINC000133141947 398322966 /nfs/dbraw/zinc/32/29/66/398322966.db2.gz IFKAUQKCEGYWCK-VIFPVBQESA-N 1 0 241.132 2.810 10 30 BFEERO CCn1cc(CC[C@H](C)[NH3+])c2cc(C#N)ccc21 ZINC000584882468 343084725 /nfs/dbraw/zinc/08/47/25/343084725.db2.gz LAEMJSYTWWYXDM-NSHDSACASA-N 1 0 241.338 2.813 10 30 BFEERO N#Cc1ccc(C[NH3+])c(Oc2ccccc2)c1 ZINC000138863654 343249494 /nfs/dbraw/zinc/24/94/94/343249494.db2.gz NGYMPXDWNZOLHV-UHFFFAOYSA-N 1 0 224.263 2.809 10 30 BFEERO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000120455267 136292496 /nfs/dbraw/zinc/29/24/96/136292496.db2.gz PKAIGNUFPNVRBG-SLEUVZQESA-N 1 0 229.323 2.758 10 30 BFEERO C#CC[NH2+]C[C@@H](C)Oc1ccccc1C(C)C ZINC000053567560 166188168 /nfs/dbraw/zinc/18/81/68/166188168.db2.gz RRBRZRALTXSHGG-CYBMUJFWSA-N 1 0 231.339 2.800 10 30 BFEERO C=CCC[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000230645741 343469322 /nfs/dbraw/zinc/46/93/22/343469322.db2.gz UVUHEMYWOFBTMY-GXSJLCMTSA-N 1 0 208.305 2.988 10 30 BFEERO C[C@H](Cc1cccs1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000070851105 343514655 /nfs/dbraw/zinc/51/46/55/343514655.db2.gz XUPZIZDOUNPMMQ-WZRBSPASSA-N 1 0 234.368 2.961 10 30 BFEERO N#Cc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000616620096 343523206 /nfs/dbraw/zinc/52/32/06/343523206.db2.gz MSTGTMPBBIBWKI-ZDUSSCGKSA-N 1 0 200.285 2.763 10 30 BFEERO N#Cc1ccc([C@@H]([NH3+])c2ccccc2)cc1 ZINC000204779175 343590459 /nfs/dbraw/zinc/59/04/59/343590459.db2.gz UCAZAYPOGHJSEF-AWEZNQCLSA-N 1 0 208.264 2.606 10 30 BFEERO CC(C)SCc1cc(C#CC[NH3+])cs1 ZINC000043689531 343700926 /nfs/dbraw/zinc/70/09/26/343700926.db2.gz MEJROUBJJSNGRS-UHFFFAOYSA-N 1 0 225.382 2.700 10 30 BFEERO CC(=[NH2+])Nc1c(F)cc(F)cc1Br ZINC000062987129 349866304 /nfs/dbraw/zinc/86/63/04/349866304.db2.gz IESCHQIXSFGXBU-UHFFFAOYSA-N 1 0 249.058 2.736 10 30 BFEERO C=CC[C@@H]([NH3+])c1occc1Br ZINC000128389010 346982126 /nfs/dbraw/zinc/98/21/26/346982126.db2.gz FZMPJQPFNMPFSH-SSDOTTSWSA-N 1 0 216.078 2.618 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000334229924 343843618 /nfs/dbraw/zinc/84/36/18/343843618.db2.gz JAGUIZRMBIBRGY-JSGCOSHPSA-N 1 0 230.286 2.682 10 30 BFEERO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000334766135 343905291 /nfs/dbraw/zinc/90/52/91/343905291.db2.gz UOLSNEHLIGJGPD-JSGCOSHPSA-N 1 0 242.322 2.551 10 30 BFEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@@H]1C ZINC000090940201 343946333 /nfs/dbraw/zinc/94/63/33/343946333.db2.gz GSHDIUIUFIOYRV-AGIUHOORSA-N 1 0 211.349 2.888 10 30 BFEERO C#CC[C@H]([NH2+]C)c1ccc(Cl)cc1C ZINC000234435153 343966903 /nfs/dbraw/zinc/96/69/03/343966903.db2.gz SEOBQXRAULQBLF-LBPRGKRZSA-N 1 0 207.704 2.932 10 30 BFEERO CC#CC[C@H]([NH2+]C)c1ccoc1Br ZINC000234438710 343967214 /nfs/dbraw/zinc/96/72/14/343967214.db2.gz ASOOPSQVWANYSV-VIFPVBQESA-N 1 0 242.116 2.716 10 30 BFEERO N#Cc1ccc(NC[C@H]2CCCC[NH2+]2)cc1Cl ZINC000061847013 344069289 /nfs/dbraw/zinc/06/92/89/344069289.db2.gz UAIUVCZLEQLMOB-GFCCVEGCSA-N 1 0 249.745 2.766 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)[C@H]1C ZINC000395171494 344118476 /nfs/dbraw/zinc/11/84/76/344118476.db2.gz RCDFPUFRMLHJRX-SJHCENCUSA-N 1 0 206.333 2.703 10 30 BFEERO CC1(C)CC([NH2+][C@@H]2CCCC[C@H]2C#N)C1 ZINC000395201542 344124040 /nfs/dbraw/zinc/12/40/40/344124040.db2.gz GKVFSKZBMSDANT-CMPLNLGQSA-N 1 0 206.333 2.847 10 30 BFEERO C#C[C@@H]([NH3+])c1ccc(Cl)cc1Br ZINC000236301603 344354321 /nfs/dbraw/zinc/35/43/21/344354321.db2.gz YGUWIWGVDFSHSD-SECBINFHSA-N 1 0 244.519 2.736 10 30 BFEERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CC#N)C1 ZINC000148573455 344379260 /nfs/dbraw/zinc/37/92/60/344379260.db2.gz GZFXOEVEKNWDMG-QWHCGFSZSA-N 1 0 214.312 2.983 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CC1CCCC1 ZINC000054824930 344457076 /nfs/dbraw/zinc/45/70/76/344457076.db2.gz IZNDDUDRMCRFCJ-OLZOCXBDSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000220702223 344571405 /nfs/dbraw/zinc/57/14/05/344571405.db2.gz CQLBQVFUIDWOIS-QJPTWQEYSA-N 1 0 224.373 2.554 10 30 BFEERO CCCCCCC[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400429990 537856936 /nfs/dbraw/zinc/85/69/36/537856936.db2.gz HHGXGSSABJLVOO-LLVKDONJSA-N 1 0 221.348 2.957 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@@]12CCOC2 ZINC000375325636 534982626 /nfs/dbraw/zinc/98/26/26/534982626.db2.gz GMWGBOIRNNOLKA-AWEZNQCLSA-N 1 0 236.359 2.571 10 30 BFEERO C=CC[C@@]1(C=O)CC[N@H+](Cc2ccccc2)C1 ZINC000667643711 537887798 /nfs/dbraw/zinc/88/77/98/537887798.db2.gz HNQGDRDGRYVMDB-OAHLLOKOSA-N 1 0 229.323 2.654 10 30 BFEERO C=CC[C@]1(C=O)CC[N@H+](Cc2ccccc2)C1 ZINC000667643703 537887890 /nfs/dbraw/zinc/88/78/90/537887890.db2.gz HNQGDRDGRYVMDB-HNNXBMFYSA-N 1 0 229.323 2.654 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000155556038 345090307 /nfs/dbraw/zinc/09/03/07/345090307.db2.gz GOYYMXLCKWGEBO-CQSZACIVSA-N 1 0 245.370 2.587 10 30 BFEERO C=C[C@H]([NH3+])c1ccsc1Br ZINC000238604122 345091597 /nfs/dbraw/zinc/09/15/97/345091597.db2.gz VVQRZBXIAFQXND-LURJTMIESA-N 1 0 218.119 2.696 10 30 BFEERO C#CC[C@H]([NH3+])c1cccc(C)c1Br ZINC000235804537 345916407 /nfs/dbraw/zinc/91/64/07/345916407.db2.gz XJFWOLZHBCEDBS-JTQLQIEISA-N 1 0 238.128 2.781 10 30 BFEERO C=CC[C@H]([NH3+])/C(C)=C/c1csc(C)n1 ZINC000095644798 346079628 /nfs/dbraw/zinc/07/96/28/346079628.db2.gz BXPAMDQYSJGEJJ-IOCXFXADSA-N 1 0 208.330 2.758 10 30 BFEERO C[C@@H]([NH3+])C#Cc1cc(Cl)ccc1Cl ZINC000166986656 346176562 /nfs/dbraw/zinc/17/65/62/346176562.db2.gz JTAOUZTZSXHLFX-SSDOTTSWSA-N 1 0 214.095 2.692 10 30 BFEERO Cc1cccc(CCNC(=[NH2+])c2ccccc2)c1 ZINC000062991127 179053047 /nfs/dbraw/zinc/05/30/47/179053047.db2.gz JGYQDOJYYLUGAA-UHFFFAOYSA-N 1 0 238.334 2.943 10 30 BFEERO Cc1cccc([C@@H]([C@H](C)[NH3+])N(C)[C@@H](C)CC#N)c1 ZINC000063085285 179188289 /nfs/dbraw/zinc/18/82/89/179188289.db2.gz DSWOBXVNIJOZJX-KCQAQPDRSA-N 1 0 245.370 2.617 10 30 BFEERO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1F ZINC000592183521 347760328 /nfs/dbraw/zinc/76/03/28/347760328.db2.gz ZLQBNZJIOOQAGV-ZLKJLUDKSA-N 1 0 244.313 2.976 10 30 BFEERO N#Cc1cc(Cl)ccc1NCC1([NH3+])CCCC1 ZINC000594692178 348099964 /nfs/dbraw/zinc/09/99/64/348099964.db2.gz NMIPNOIYFAHHEA-UHFFFAOYSA-N 1 0 249.745 2.895 10 30 BFEERO Cc1cccc(CC[NH2+][C@H]2CCCC[C@H]2C#N)n1 ZINC000595690031 348315879 /nfs/dbraw/zinc/31/58/79/348315879.db2.gz ORQWJNOHRXSGFC-ZFWWWQNUSA-N 1 0 243.354 2.605 10 30 BFEERO CCOC1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000597084105 348655439 /nfs/dbraw/zinc/65/54/39/348655439.db2.gz XECLBUZVDIWOOB-BLYZHGLHSA-N 1 0 236.359 2.616 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000323904602 348635242 /nfs/dbraw/zinc/63/52/42/348635242.db2.gz RCDDRDUUWHCMOY-FRRDWIJNSA-N 1 0 206.333 2.847 10 30 BFEERO CC#CC[NH2+]Cc1ccc(Br)cc1 ZINC000051663050 350021696 /nfs/dbraw/zinc/02/16/96/350021696.db2.gz SKGUACHHXQTPID-UHFFFAOYSA-N 1 0 238.128 2.562 10 30 BFEERO CC#CC[C@H]([NH3+])Cc1ccccc1Cl ZINC000051665840 350022494 /nfs/dbraw/zinc/02/24/94/350022494.db2.gz QNPCVWSPXXXDGX-NSHDSACASA-N 1 0 207.704 2.623 10 30 BFEERO C=C(C)COCC[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000131388913 191011728 /nfs/dbraw/zinc/01/17/28/191011728.db2.gz NTYMPLWNYLXLDP-QWHCGFSZSA-N 1 0 211.349 2.747 10 30 BFEERO C=CCCOCC[NH2+]CC1CCC(C)CC1 ZINC000133240012 191039450 /nfs/dbraw/zinc/03/94/50/191039450.db2.gz XCNULNFDRBLWQR-UHFFFAOYSA-N 1 0 225.376 2.995 10 30 BFEERO CC(C)[N@@H+]1CCCO[C@@H](c2ccccc2C#N)C1 ZINC000616597985 350654156 /nfs/dbraw/zinc/65/41/56/350654156.db2.gz KLIDVMYGATYQNX-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CS1 ZINC000397786810 350972470 /nfs/dbraw/zinc/97/24/70/350972470.db2.gz BLESUFXGKWVLQQ-NOOOWODRSA-N 1 0 224.373 2.552 10 30 BFEERO C=CCC[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000129072289 350978144 /nfs/dbraw/zinc/97/81/44/350978144.db2.gz AFCSCGRWLSFFQA-GFCCVEGCSA-N 1 0 221.300 2.670 10 30 BFEERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CS1 ZINC000336691054 350986820 /nfs/dbraw/zinc/98/68/20/350986820.db2.gz WRCGDPRBQTUISN-CYDGBPFRSA-N 1 0 238.400 2.798 10 30 BFEERO CC(C)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616666468 351226422 /nfs/dbraw/zinc/22/64/22/351226422.db2.gz TWZSESAZZQEZAQ-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO Clc1cccc(Cl)c1NC1=[NH+]CCCN1 ZINC000053092621 180590705 /nfs/dbraw/zinc/59/07/05/180590705.db2.gz CSOSTYKDOQPFGR-UHFFFAOYSA-N 1 0 244.125 2.564 10 30 BFEERO CCC[C@@H]([NH3+])C#Cc1ccsc1Cl ZINC000307143161 351501695 /nfs/dbraw/zinc/50/16/95/351501695.db2.gz GDISRXOSFKTZHN-SECBINFHSA-N 1 0 213.733 2.880 10 30 BFEERO CC(=O)/C=C1\CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000307187049 351588330 /nfs/dbraw/zinc/58/83/30/351588330.db2.gz VIJHAXKBJWAQJR-QQFZQELXSA-N 1 0 229.323 2.796 10 30 BFEERO C=CCn1c(C)[nH+]c(-c2ccc(OC)cc2)c1N ZINC000103500829 187538290 /nfs/dbraw/zinc/53/82/90/187538290.db2.gz OQILPFXUHWYSSC-UHFFFAOYSA-N 1 0 243.310 2.635 10 30 BFEERO CC(C)[C@H]([NH3+])C#Cc1ccc(Cl)cc1 ZINC000300892650 363111014 /nfs/dbraw/zinc/11/10/14/363111014.db2.gz KAQKSELILXGQAU-GFCCVEGCSA-N 1 0 207.704 2.675 10 30 BFEERO CC#CC[C@@H]([NH3+])c1cscc1Br ZINC000404777333 352240166 /nfs/dbraw/zinc/24/01/66/352240166.db2.gz GEJWWYXZULRMAQ-SECBINFHSA-N 1 0 244.157 2.924 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)[C@@H]1CCCCO1 ZINC000383078491 352362630 /nfs/dbraw/zinc/36/26/30/352362630.db2.gz IAZUAKQPPJIEFB-DGAVXFQQSA-N 1 0 236.359 2.616 10 30 BFEERO CC(C)N(CCC#N)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042529015 187776720 /nfs/dbraw/zinc/77/67/20/187776720.db2.gz RVBKSFBCTCYOEL-GFCCVEGCSA-N 1 0 231.343 2.835 10 30 BFEERO C=CC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000043392122 352636699 /nfs/dbraw/zinc/63/66/99/352636699.db2.gz JFBNVFSDLDCVQA-SECBINFHSA-N 1 0 201.191 2.680 10 30 BFEERO N#Cc1ccc(Oc2ccc(C[NH3+])cc2)cc1 ZINC000075881697 188096400 /nfs/dbraw/zinc/09/64/00/188096400.db2.gz RONHHKKZERVMSF-UHFFFAOYSA-N 1 0 224.263 2.809 10 30 BFEERO CC(C)N(CCC#N)c1cccc(F)c1[C@H](C)[NH3+] ZINC000042529019 188120889 /nfs/dbraw/zinc/12/08/89/188120889.db2.gz SOPVAMXAAVGTSY-NSHDSACASA-N 1 0 249.333 2.974 10 30 BFEERO N#CCCCC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000049578671 188124433 /nfs/dbraw/zinc/12/44/33/188124433.db2.gz CWSXKCMHPPUNEJ-UHFFFAOYSA-N 1 0 243.354 2.927 10 30 BFEERO C=C(C)COc1ccc(OC)cc1C[C@@H](C)[NH3+] ZINC000037722509 188153035 /nfs/dbraw/zinc/15/30/35/188153035.db2.gz XORDWQQOKZRYNS-LLVKDONJSA-N 1 0 235.327 2.540 10 30 BFEERO C=C(C)COc1cc(C[C@H]([NH3+])CC)ccc1OC ZINC000037728241 188153042 /nfs/dbraw/zinc/15/30/42/188153042.db2.gz QDZNTVSXJGTECD-CYBMUJFWSA-N 1 0 249.354 2.930 10 30 BFEERO C#CCOc1ccc2ccccc2c1C[C@H](C)[NH3+] ZINC000037727434 188153095 /nfs/dbraw/zinc/15/30/95/188153095.db2.gz OFVMRUIFIBSBCY-LBPRGKRZSA-N 1 0 239.318 2.742 10 30 BFEERO C=C[C@H](C)Oc1ccc2c(c1)OC[C@H]2[NH2+]CC ZINC000062804735 188224106 /nfs/dbraw/zinc/22/41/06/188224106.db2.gz QKEOGLNVWLJVPH-GXFFZTMASA-N 1 0 233.311 2.683 10 30 BFEERO C#C[C@@H]([NH3+])c1cc(Br)ccc1Cl ZINC000130079281 353338648 /nfs/dbraw/zinc/33/86/48/353338648.db2.gz DQXQHFQUWIOQNA-SECBINFHSA-N 1 0 244.519 2.736 10 30 BFEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]CCc1ccccn1 ZINC000054823805 181059101 /nfs/dbraw/zinc/05/91/01/181059101.db2.gz MAGUQQSBZBHXCL-DZGCQCFKSA-N 1 0 243.354 2.686 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCC1CCCC1 ZINC000054825607 181059470 /nfs/dbraw/zinc/05/94/70/181059470.db2.gz QOQGAXWZFDDCPN-QWHCGFSZSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000061892565 181059577 /nfs/dbraw/zinc/05/95/77/181059577.db2.gz BFPILUKLHGIJES-FZMZJTMJSA-N 1 0 239.322 2.950 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1F ZINC000336310333 181105419 /nfs/dbraw/zinc/10/54/19/181105419.db2.gz FJCODTQGBZCDNQ-JSGCOSHPSA-N 1 0 230.286 2.682 10 30 BFEERO N#Cc1ccc(N[C@@H]2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000335583102 181125088 /nfs/dbraw/zinc/12/50/88/181125088.db2.gz VDKVFCHGRVLDLW-MWLCHTKSSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1Cl ZINC000093210928 181126058 /nfs/dbraw/zinc/12/60/58/181126058.db2.gz AFTCRDNPBIQRQZ-MNOVXSKESA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000037748902 181137504 /nfs/dbraw/zinc/13/75/04/181137504.db2.gz CCDLXNWTCVXGOH-QLFBSQMISA-N 1 0 224.307 2.612 10 30 BFEERO COC1(CC[NH2+][C@H]2CCCC[C@@H]2C#N)CCC1 ZINC000383888679 355658357 /nfs/dbraw/zinc/65/83/57/355658357.db2.gz UHXBIYJCWXPNLV-OLZOCXBDSA-N 1 0 236.359 2.618 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(Br)cc1C ZINC000168588604 356425362 /nfs/dbraw/zinc/42/53/62/356425362.db2.gz ZLXIYXCGCWFZHU-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO C#C[C@@H]([NH3+])c1ccc(Br)cc1Cl ZINC000130161781 358507183 /nfs/dbraw/zinc/50/71/83/358507183.db2.gz XDYGNQSFVUSESK-SECBINFHSA-N 1 0 244.519 2.736 10 30 BFEERO CCC1CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059182 538484112 /nfs/dbraw/zinc/48/41/12/538484112.db2.gz BPLACPPIWOFFCJ-HHTDUIENSA-N 1 0 223.360 2.627 10 30 BFEERO CC1(C)CCC[C@H]([C@H]2C[NH2+]C[C@@H](C=O)C2)C1 ZINC000675059817 538485203 /nfs/dbraw/zinc/48/52/03/538485203.db2.gz NHHMEQZQJCBZNS-RWMBFGLXSA-N 1 0 223.360 2.627 10 30 BFEERO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000389723913 356930322 /nfs/dbraw/zinc/93/03/22/356930322.db2.gz JCEZOFMCMUOHKU-NOZJJQNGSA-N 1 0 249.745 2.622 10 30 BFEERO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000389723927 356930519 /nfs/dbraw/zinc/93/05/19/356930519.db2.gz JCEZOFMCMUOHKU-ZANVPECISA-N 1 0 249.745 2.622 10 30 BFEERO C=CCCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000390626411 357108279 /nfs/dbraw/zinc/10/82/79/357108279.db2.gz HIYDNGORSRBRAW-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000168675250 357058400 /nfs/dbraw/zinc/05/84/00/357058400.db2.gz NSANKVISQGICAO-JTQLQIEISA-N 1 0 242.091 2.611 10 30 BFEERO C#CC[C@H]([NH3+])c1cc(Br)ccc1C ZINC000168682916 357070556 /nfs/dbraw/zinc/07/05/56/357070556.db2.gz BXCJYEFZJBYOJS-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300023757 357172580 /nfs/dbraw/zinc/17/25/80/357172580.db2.gz DTSACIHPNSQNHZ-IMSYWVGJSA-N 1 0 217.403 2.515 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc2sccc2s1 ZINC000168679141 357194099 /nfs/dbraw/zinc/19/40/99/357194099.db2.gz AZNLXOPUEAPUMO-SSDOTTSWSA-N 1 0 207.323 2.986 10 30 BFEERO C=CC[C@@H]([NH3+])[C@@H]1CSc2ccccc21 ZINC000160712568 357287417 /nfs/dbraw/zinc/28/74/17/357287417.db2.gz MLLHHDHVOYNWPF-GHMZBOCLSA-N 1 0 205.326 2.779 10 30 BFEERO N#CCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000020199497 357327318 /nfs/dbraw/zinc/32/73/18/357327318.db2.gz XCQBBTZVQJOKBD-CQSZACIVSA-N 1 0 214.312 2.957 10 30 BFEERO C=CCCCCC[N@@H+]1CCCN(C2CC2)CC1 ZINC000193322144 357875976 /nfs/dbraw/zinc/87/59/76/357875976.db2.gz DKRCOGLRXCUOQV-UHFFFAOYSA-N 1 0 236.403 2.903 10 30 BFEERO C=CCC[NH2+]C[C@@H]1Cc2cc(OC)c(OC)cc21 ZINC000584599758 358256555 /nfs/dbraw/zinc/25/65/55/358256555.db2.gz MPXFRQSVNAWXAH-LBPRGKRZSA-N 1 0 247.338 2.509 10 30 BFEERO C[N@@H+](CC#CCCC=O)CCCc1ccccc1 ZINC000584636326 358320992 /nfs/dbraw/zinc/32/09/92/358320992.db2.gz GHYPSKRICIYNCX-UHFFFAOYSA-N 1 0 243.350 2.534 10 30 BFEERO CC(C)[NH+]1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1 ZINC000387476078 366412391 /nfs/dbraw/zinc/41/23/91/366412391.db2.gz ZYGWANMIIROAMB-HIFRSBDPSA-N 1 0 249.402 2.531 10 30 BFEERO N#CCCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000127855185 358567088 /nfs/dbraw/zinc/56/70/88/358567088.db2.gz FJICJFRRDMASPD-ZIAGYGMSSA-N 1 0 246.358 2.650 10 30 BFEERO C[C@H]1C[N@H+](CC(C)(C)CCC#N)CCS1 ZINC000131434108 358675009 /nfs/dbraw/zinc/67/50/09/358675009.db2.gz WEUZBUSYJMDVNT-NSHDSACASA-N 1 0 226.389 2.754 10 30 BFEERO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052272407 358777584 /nfs/dbraw/zinc/77/75/84/358777584.db2.gz KEOGYZAFKRVJNJ-SMDDNHRTSA-N 1 0 217.312 2.749 10 30 BFEERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C12CCC2 ZINC000087710967 359925704 /nfs/dbraw/zinc/92/57/04/359925704.db2.gz JBGZGJCQGQKYFE-YIYPIFLZSA-N 1 0 248.370 2.616 10 30 BFEERO CC#CC[C@@H]([NH3+])c1csc(Br)c1 ZINC000161033947 360260608 /nfs/dbraw/zinc/26/06/08/360260608.db2.gz IRXGQYZEJRWKFP-MRVPVSSYSA-N 1 0 244.157 2.924 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000070594034 361579141 /nfs/dbraw/zinc/57/91/41/361579141.db2.gz UXXUUYDQALMWKB-NSHDSACASA-N 1 0 221.300 2.670 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(Br)s1 ZINC000070597678 361582563 /nfs/dbraw/zinc/58/25/63/361582563.db2.gz QGNNIWCEGDGKSN-LURJTMIESA-N 1 0 230.130 2.534 10 30 BFEERO C=C[C@H]([NH2+]C)c1ccc(F)c(F)c1F ZINC000130664691 363928648 /nfs/dbraw/zinc/92/86/48/363928648.db2.gz KPKSAYRWIRXENC-QMMMGPOBSA-N 1 0 201.191 2.550 10 30 BFEERO CC[C@H](CC#N)[NH2+]C[C@@H]1Cc2ccccc21 ZINC000085578201 368866803 /nfs/dbraw/zinc/86/68/03/368866803.db2.gz XNEFNMBZXMOARS-QWHCGFSZSA-N 1 0 214.312 2.608 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1c(OC)cccc1OC ZINC000130811315 369088885 /nfs/dbraw/zinc/08/88/85/369088885.db2.gz HJNNTHLWUVQKHO-SNVBAGLBSA-N 1 0 221.300 2.670 10 30 BFEERO C[C@H](CCc1ccco1)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054827256 369101138 /nfs/dbraw/zinc/10/11/38/369101138.db2.gz AKTVLOYEZGGMEW-YRGRVCCFSA-N 1 0 232.327 2.883 10 30 BFEERO N#Cc1ccc(NCCC2(C[NH3+])CC2)cc1Cl ZINC000404686842 369433421 /nfs/dbraw/zinc/43/34/21/369433421.db2.gz PCGFJTNDSXQDHJ-UHFFFAOYSA-N 1 0 249.745 2.753 10 30 BFEERO CC(C)[C@@H]([NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000070010739 371001480 /nfs/dbraw/zinc/00/14/80/371001480.db2.gz IACXKYBPTNXQPW-LBPRGKRZSA-N 1 0 237.734 2.607 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000124038485 371134765 /nfs/dbraw/zinc/13/47/65/371134765.db2.gz VJBNIXAELKDTBV-CYZMBNFOSA-N 1 0 206.333 2.847 10 30 BFEERO C=C(C)[C@@H]([NH2+]C)c1ccc(Br)o1 ZINC000131339351 371592708 /nfs/dbraw/zinc/59/27/08/371592708.db2.gz WWPZDKYHGVDSJD-SECBINFHSA-N 1 0 230.105 2.879 10 30 BFEERO C[C@H](CS)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226605631 371704577 /nfs/dbraw/zinc/70/45/77/371704577.db2.gz NOGUAFHUFDGXBZ-SRVKXCTJSA-N 1 0 213.390 2.817 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000217658610 371993349 /nfs/dbraw/zinc/99/33/49/371993349.db2.gz JJLOOABQFBGZMW-TUKIKUTGSA-N 1 0 244.338 2.512 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCC1CCC1 ZINC000229096150 372118218 /nfs/dbraw/zinc/11/82/18/372118218.db2.gz QVOJSPSAOFWDSR-QWHCGFSZSA-N 1 0 206.333 2.849 10 30 BFEERO CC[NH2+]CC#Cc1cccc(Cl)c1Cl ZINC000229451618 372153457 /nfs/dbraw/zinc/15/34/57/372153457.db2.gz JARJDNCLMZRCSA-UHFFFAOYSA-N 1 0 228.122 2.954 10 30 BFEERO C#C[C@@H](C)[NH2+][C@H]1CCCc2sccc21 ZINC000229529194 372161369 /nfs/dbraw/zinc/16/13/69/372161369.db2.gz MXSZYCSMYCFVLL-KOLCDFICSA-N 1 0 205.326 2.737 10 30 BFEERO [NH3+]CCCCC#Cc1cccc(Cl)c1 ZINC000229615159 372172874 /nfs/dbraw/zinc/17/28/74/372172874.db2.gz JQYYUVDTXATLND-UHFFFAOYSA-N 1 0 207.704 2.821 10 30 BFEERO CCC[N@H+](Cc1cccc(C#CCO)c1)C(C)C ZINC000049617659 169175281 /nfs/dbraw/zinc/17/52/81/169175281.db2.gz KVQTVOPKOGMBDG-UHFFFAOYSA-N 1 0 245.366 2.651 10 30 BFEERO CCC[N@H+](Cc1ccccc1C#CCO)C(C)C ZINC000049617650 169176747 /nfs/dbraw/zinc/17/67/47/169176747.db2.gz YVDSKJZFAFBSAY-UHFFFAOYSA-N 1 0 245.366 2.651 10 30 BFEERO CCCN[C@H](C#N)CCOc1cccc(C)c1C ZINC000062445788 169284149 /nfs/dbraw/zinc/28/41/49/169284149.db2.gz DYDVLNHJXRXPSC-AWEZNQCLSA-N 1 0 246.354 2.964 10 30 BFEERO CCCN[C@H](C#N)CC[N@H+](CC)C1CCCC1 ZINC000062434764 169284559 /nfs/dbraw/zinc/28/45/59/169284559.db2.gz SWSINWUFEKBDDG-ZDUSSCGKSA-N 1 0 237.391 2.533 10 30 BFEERO CCCN[C@H](C#N)CCOc1ccccc1CC ZINC000062447538 169283856 /nfs/dbraw/zinc/28/38/56/169283856.db2.gz WWTWLHYMCSGEMI-AWEZNQCLSA-N 1 0 246.354 2.910 10 30 BFEERO CCC[C@@H](C)[N@H+](C)Cc1cccnc1C#N ZINC000061664327 169365860 /nfs/dbraw/zinc/36/58/60/169365860.db2.gz ABILPZXWYUXDRD-LLVKDONJSA-N 1 0 217.316 2.574 10 30 BFEERO C#CCC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000069768007 383845303 /nfs/dbraw/zinc/84/53/03/383845303.db2.gz SBEQKUJOYZZFJB-CYBMUJFWSA-N 1 0 201.313 2.977 10 30 BFEERO N#Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)ccc1F ZINC000334912995 383979628 /nfs/dbraw/zinc/97/96/28/383979628.db2.gz OMLLSQMEPIZIQZ-RISCZKNCSA-N 1 0 230.286 2.682 10 30 BFEERO C[N+]12CCC(CC1)/C(=N/c1ccccc1)C2 ZINC000005360193 384112337 /nfs/dbraw/zinc/11/23/37/384112337.db2.gz UIHSXOMDWLQJSD-CCEZHUSRSA-N 1 0 215.320 2.629 10 30 BFEERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000336782704 384277458 /nfs/dbraw/zinc/27/74/58/384277458.db2.gz YOFZZRSOIULBEM-BIGNPOOSSA-N 1 0 212.296 2.544 10 30 BFEERO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309704928 384551186 /nfs/dbraw/zinc/55/11/86/384551186.db2.gz UYBBXUMRKWYJQS-CHWSQXEVSA-N 1 0 229.339 2.697 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1CC1(C)C ZINC000308988771 385333822 /nfs/dbraw/zinc/33/38/22/385333822.db2.gz KMPIAARGCUEXBC-IRCOFANPSA-N 1 0 206.333 2.703 10 30 BFEERO C=CC[NH2+][C@@H]1CSCc2ccccc21 ZINC000037185085 385601773 /nfs/dbraw/zinc/60/17/73/385601773.db2.gz KTQULUMCNUAOOM-GFCCVEGCSA-N 1 0 205.326 2.750 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCCC1CCC1 ZINC000595484001 385630322 /nfs/dbraw/zinc/63/03/22/385630322.db2.gz WFWNWZHGOYPXAA-CHWSQXEVSA-N 1 0 206.333 2.849 10 30 BFEERO CC(C)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500145 386160306 /nfs/dbraw/zinc/16/03/06/386160306.db2.gz AFWDFADWIGMAMS-SECBINFHSA-N 1 0 208.330 2.754 10 30 BFEERO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000164661071 386185848 /nfs/dbraw/zinc/18/58/48/386185848.db2.gz SLOILYQFIZESEO-NEPJUHHUSA-N 1 0 219.332 2.598 10 30 BFEERO C=CC[NH2+]Cc1ccccc1OCCC ZINC000020924475 386810303 /nfs/dbraw/zinc/81/03/03/386810303.db2.gz FKTBKENZSFMPSV-UHFFFAOYSA-N 1 0 205.301 2.751 10 30 BFEERO C[C@@H]1CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000334793759 386859584 /nfs/dbraw/zinc/85/95/84/386859584.db2.gz SJKVNOSVYIHIKF-GFCCVEGCSA-N 1 0 206.333 2.802 10 30 BFEERO CCCCCCC[N@H+](C)CCc1c[nH]cn1 ZINC000044323837 387510623 /nfs/dbraw/zinc/51/06/23/387510623.db2.gz GDWQJZBKLATJOR-UHFFFAOYSA-N 1 0 223.364 2.854 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(C#N)c1 ZINC000052274730 387465413 /nfs/dbraw/zinc/46/54/13/387465413.db2.gz LFWUZBAXVKXPRK-KWBADKCTSA-N 1 0 200.285 2.617 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C#N)cc1 ZINC000052270727 387466012 /nfs/dbraw/zinc/46/60/12/387466012.db2.gz WBMAUOCYQBNAAO-OUJBWJOFSA-N 1 0 200.285 2.617 10 30 BFEERO C#CCOc1cccc(C[NH2+]C(C)(C)CC)c1 ZINC000045946025 388004566 /nfs/dbraw/zinc/00/45/66/388004566.db2.gz KTPHZQAFOQNUNB-UHFFFAOYSA-N 1 0 231.339 2.977 10 30 BFEERO CC(C)[C@@H](C)[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000405107930 388637586 /nfs/dbraw/zinc/63/75/86/388637586.db2.gz LUTZWDJRPZFHNM-LLVKDONJSA-N 1 0 214.312 2.918 10 30 BFEERO C=CCC[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000126816928 388704765 /nfs/dbraw/zinc/70/47/65/388704765.db2.gz KALQPAQELGWSLD-ZIAGYGMSSA-N 1 0 226.408 2.907 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229650346 388862996 /nfs/dbraw/zinc/86/29/96/388862996.db2.gz GQXXAANMWRXUFQ-UONOGXRCSA-N 1 0 239.322 2.950 10 30 BFEERO C#CC[C@H]([NH3+])c1ccsc1Br ZINC000575498551 388989634 /nfs/dbraw/zinc/98/96/34/388989634.db2.gz JSIDUQHXTOHNAC-ZETCQYMHSA-N 1 0 230.130 2.534 10 30 BFEERO C=CC[C@@H](C)[NH2+][C@@H](COC)c1ccccc1 ZINC000234734859 133470660 /nfs/dbraw/zinc/47/06/60/133470660.db2.gz HUIVHRHHBRRCIZ-OCCSQVGLSA-N 1 0 219.328 2.928 10 30 BFEERO C=CCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000303520639 134234435 /nfs/dbraw/zinc/23/44/35/134234435.db2.gz UENLNOHMMKKANB-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO C[C@@H](CC#N)[N@@H+]1CCCc2ccccc2C1 ZINC000062944660 134394799 /nfs/dbraw/zinc/39/47/99/134394799.db2.gz LAKPFDFYMHFLIL-LBPRGKRZSA-N 1 0 214.312 2.737 10 30 BFEERO C[C@H]([NH2+]CCCCC#N)c1ccc(C#N)s1 ZINC000127415735 134724144 /nfs/dbraw/zinc/72/41/44/134724144.db2.gz PVICHSDXPKFGPW-JTQLQIEISA-N 1 0 233.340 2.964 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000250837193 135059579 /nfs/dbraw/zinc/05/95/79/135059579.db2.gz BQPSJZNRGDDVOT-CFVMTHIKSA-N 1 0 226.323 2.956 10 30 BFEERO CC1(C)CC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000251139113 135065261 /nfs/dbraw/zinc/06/52/61/135065261.db2.gz ITFAPHQBYSIWLZ-SDDRHHMPSA-N 1 0 206.333 2.847 10 30 BFEERO CC[NH+]=C(NC1CCC1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000261752121 135250060 /nfs/dbraw/zinc/25/00/60/135250060.db2.gz NKOAQRNKBYQLHJ-STQMWFEESA-N 1 0 249.402 2.626 10 30 BFEERO C[NH+]=C(N[C@@H]1C[C@@H]1C1CCCCC1)N[C@@H]1C[C@@H]1C ZINC000262391959 135298754 /nfs/dbraw/zinc/29/87/54/135298754.db2.gz MJBXCEBFCDCTKN-IGHBBLSQSA-N 1 0 249.402 2.529 10 30 BFEERO C[C@H]1CCCN(C(=[NH2+])N[C@H]2CCC23CCCC3)C1 ZINC000263270276 135343624 /nfs/dbraw/zinc/34/36/24/135343624.db2.gz OXYDQHSQEOOAOR-STQMWFEESA-N 1 0 249.402 2.756 10 30 BFEERO [NH2+]=C(N[C@@H]1CCC12CCCC2)NC1CCCC1 ZINC000263295286 135345072 /nfs/dbraw/zinc/34/50/72/135345072.db2.gz XVNHJUJZKJXBKE-GFCCVEGCSA-N 1 0 235.375 2.556 10 30 BFEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)s1 ZINC000054828693 398012506 /nfs/dbraw/zinc/01/25/06/398012506.db2.gz UBJLINGVUKXOTL-CMPLNLGQSA-N 1 0 220.341 2.838 10 30 BFEERO C=CC[NH2+][C@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583911 397986462 /nfs/dbraw/zinc/98/64/62/397986462.db2.gz VCIVOFCLVJZQQG-AWEZNQCLSA-N 1 0 231.339 2.760 10 30 BFEERO C#CCCOc1ccc(C[NH2+]C(C)C)cc1OC ZINC000037704452 166150732 /nfs/dbraw/zinc/15/07/32/166150732.db2.gz VFIDTNOCBXBVMA-UHFFFAOYSA-N 1 0 247.338 2.595 10 30 BFEERO C#CCC[C@@H]([NH2+]C)c1ccc2ccccc2n1 ZINC000104360187 166151892 /nfs/dbraw/zinc/15/18/92/166151892.db2.gz VXTYZTJQGPPFQT-CQSZACIVSA-N 1 0 224.307 2.909 10 30 BFEERO C#CC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000019875437 166191378 /nfs/dbraw/zinc/19/13/78/166191378.db2.gz JFTPFADHYPKUQB-VIFPVBQESA-N 1 0 238.128 2.733 10 30 BFEERO C#CCOc1ccc(C[NH2+]C(C)(C)C)cc1OC ZINC000045945520 166198731 /nfs/dbraw/zinc/19/87/31/166198731.db2.gz DGNLKJPLHLMOAN-UHFFFAOYSA-N 1 0 247.338 2.595 10 30 BFEERO C=CCCOc1cccc(C[NH2+]C(C)(C)C)n1 ZINC000051522800 166289202 /nfs/dbraw/zinc/28/92/02/166289202.db2.gz XTLMFPRFKGDLBK-UHFFFAOYSA-N 1 0 234.343 2.925 10 30 BFEERO C=CCN(CC=C)C[C@H]1CCC[C@@H]1[NH2+]CCC ZINC000053866168 166335275 /nfs/dbraw/zinc/33/52/75/166335275.db2.gz NQMUOOTUWATTEG-CABCVRRESA-N 1 0 236.403 2.829 10 30 BFEERO C=CCN(CC=C)C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071287 166335593 /nfs/dbraw/zinc/33/55/93/166335593.db2.gz DVULAKUXTHEJSM-ZNMIVQPWSA-N 1 0 234.387 2.581 10 30 BFEERO C=CCN(CC=C)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052376736 166336610 /nfs/dbraw/zinc/33/66/10/166336610.db2.gz WFDSCACPFVKQSK-HNNXBMFYSA-N 1 0 230.355 2.621 10 30 BFEERO C=CC[N@H+]1CCC[C@](C)(c2cccc(O)c2)C1 ZINC000003637916 166356066 /nfs/dbraw/zinc/35/60/66/166356066.db2.gz PDNXCHZQJQBVIV-HNNXBMFYSA-N 1 0 231.339 2.932 10 30 BFEERO C=CC[NH2+]CCC(=O)c1ccc2c(c1)CCC2 ZINC000049821440 166399545 /nfs/dbraw/zinc/39/95/45/166399545.db2.gz STVGQCAAAQPXHT-UHFFFAOYSA-N 1 0 229.323 2.524 10 30 BFEERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(C#N)cc1 ZINC000054597644 167008622 /nfs/dbraw/zinc/00/86/22/167008622.db2.gz CDPKPTAFTMPBIV-HUUCEWRRSA-N 1 0 228.339 2.907 10 30 BFEERO CC(C)[N@@H+]1CC[C@]2(CC[C@@H](CS)C2)C1 ZINC000100246676 167027937 /nfs/dbraw/zinc/02/79/37/167027937.db2.gz WVPFFXJXIDFGCN-NEPJUHHUSA-N 1 0 213.390 2.817 10 30 BFEERO CC(C)Oc1ccc2ccccc2c1C#CC[NH3+] ZINC000038077878 167302009 /nfs/dbraw/zinc/30/20/09/167302009.db2.gz WBENBGSSVMHFIC-UHFFFAOYSA-N 1 0 239.318 2.937 10 30 BFEERO CC(C)[C@@H](C[NH+](C)C)Nc1ccccc1C#N ZINC000049219082 167394638 /nfs/dbraw/zinc/39/46/38/167394638.db2.gz VAUXIZQJQSYEAJ-CQSZACIVSA-N 1 0 231.343 2.556 10 30 BFEERO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(CC)C1 ZINC000658033800 411209637 /nfs/dbraw/zinc/20/96/37/411209637.db2.gz DEEIZTPGWODPQJ-ILXRZTDVSA-N 1 0 236.403 2.805 10 30 BFEERO CC1(S)CC[NH+](Cc2ccccc2)CC1 ZINC000095089643 168072050 /nfs/dbraw/zinc/07/20/50/168072050.db2.gz FLXZCSOHVGWWJY-UHFFFAOYSA-N 1 0 221.369 2.971 10 30 BFEERO CC1CCC([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000054823846 168166040 /nfs/dbraw/zinc/16/60/40/168166040.db2.gz ITRWESVBKZPRRH-MVKMKZAISA-N 1 0 206.333 2.847 10 30 BFEERO CC[C@H]([NH3+])[C@@H](c1ccccc1C)N(C)CCC#N ZINC000043034131 171488030 /nfs/dbraw/zinc/48/80/30/171488030.db2.gz FRKVBWKSPSKKFV-LSDHHAIUSA-N 1 0 245.370 2.619 10 30 BFEERO C[NH+](C)C(C)(C)CN[C@H](CC#N)c1ccccc1 ZINC000055018535 172397416 /nfs/dbraw/zinc/39/74/16/172397416.db2.gz VWKNGVWIIGNIAO-CQSZACIVSA-N 1 0 245.370 2.571 10 30 BFEERO C[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2Cl)C1 ZINC000062791029 173021046 /nfs/dbraw/zinc/02/10/46/173021046.db2.gz BVFUQRKBNSLVPM-LLVKDONJSA-N 1 0 249.745 2.718 10 30 BFEERO C[N@H+]1[C@@H]2CC[C@H]1CC(Nc1cccc(C#N)c1)C2 ZINC000020523902 173207153 /nfs/dbraw/zinc/20/71/53/173207153.db2.gz GLIRIKUZVBYWOE-GOOCMWNKSA-N 1 0 241.338 2.595 10 30 BFEERO COC1(C[NH2+][C@@H]2CCC[C@H]2C#N)CCCCC1 ZINC000319926167 174004046 /nfs/dbraw/zinc/00/40/46/174004046.db2.gz SGTLNBQBOVUXMG-QWHCGFSZSA-N 1 0 236.359 2.618 10 30 BFEERO COc1cc([C@@H](C)[NH3+])ccc1OCCCCC#N ZINC000049578180 175012799 /nfs/dbraw/zinc/01/27/99/175012799.db2.gz BRXSBSBENVBAKU-LLVKDONJSA-N 1 0 248.326 2.788 10 30 BFEERO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054823413 175091937 /nfs/dbraw/zinc/09/19/37/175091937.db2.gz ZCZKZVGOFPULFD-UKRRQHHQSA-N 1 0 244.338 2.520 10 30 BFEERO C[C@@H]1C[C@@H](S)CC[N@@H+]1Cc1ccccc1 ZINC000073656728 176383715 /nfs/dbraw/zinc/38/37/15/176383715.db2.gz ALMZDSOAMGIJCJ-YPMHNXCESA-N 1 0 221.369 2.969 10 30 BFEERO C[C@H]([NH3+])c1ccc(N(C)CCC#N)c(Cl)c1 ZINC000061694378 176776809 /nfs/dbraw/zinc/77/68/09/176776809.db2.gz UKOLVDCAQJGZTF-VIFPVBQESA-N 1 0 237.734 2.710 10 30 BFEERO CCCCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000106994567 592704531 /nfs/dbraw/zinc/70/45/31/592704531.db2.gz LRAVVTRRSITWHU-CHWSQXEVSA-N 1 0 213.365 2.850 10 30 BFEERO C[N@H+](CC1CCCC1)CC1(C#N)CCC1 ZINC000258916480 323146501 /nfs/dbraw/zinc/14/65/01/323146501.db2.gz MVJKWKZOLDUWRU-UHFFFAOYSA-N 1 0 206.333 2.802 10 30 BFEERO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000236542322 488070775 /nfs/dbraw/zinc/07/07/75/488070775.db2.gz YEOSVTCSYKEEND-CHWSQXEVSA-N 1 0 211.349 2.626 10 30 BFEERO C=CCOCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000303551937 490167845 /nfs/dbraw/zinc/16/78/45/490167845.db2.gz WHTLGSNBOYSPRZ-CHWSQXEVSA-N 1 0 225.376 2.993 10 30 BFEERO C=CCC[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000125289942 490426854 /nfs/dbraw/zinc/42/68/54/490426854.db2.gz VAFNYPWALNMAQO-UONOGXRCSA-N 1 0 223.360 2.890 10 30 BFEERO C=C(CC)CN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000313499704 491056409 /nfs/dbraw/zinc/05/64/09/491056409.db2.gz IKKLRRSIIITBTI-CABCVRRESA-N 1 0 236.403 2.901 10 30 BFEERO Cc1ncc(CS)n1-c1ccccc1 ZINC000757164486 582546132 /nfs/dbraw/zinc/54/61/32/582546132.db2.gz HADIYZGYXTVCRN-UHFFFAOYSA-N 1 0 204.298 2.611 10 30 BFEERO C=CC[C@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000309547036 534349367 /nfs/dbraw/zinc/34/93/67/534349367.db2.gz HDFQBYDFBWZGSN-HIFPTAJRSA-N 1 0 216.328 2.882 10 30 BFEERO C=C(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253090215 534386476 /nfs/dbraw/zinc/38/64/76/534386476.db2.gz HTHUGDULDCYXHZ-RBSFLKMASA-N 1 0 237.387 2.968 10 30 BFEERO C=C(CC)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023481 534396244 /nfs/dbraw/zinc/39/62/44/534396244.db2.gz PNFYAPYOCVCQMP-KGLIPLIRSA-N 1 0 223.360 2.580 10 30 BFEERO C=CCCCN1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000303520637 534722580 /nfs/dbraw/zinc/72/25/80/534722580.db2.gz UENLNOHMMKKANB-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO CC(C)C[C@H](C)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000301014356 528461904 /nfs/dbraw/zinc/46/19/04/528461904.db2.gz ZILJLVIYPNSCQA-AVGNSLFASA-N 1 0 208.349 2.950 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000111638312 588764848 /nfs/dbraw/zinc/76/48/48/588764848.db2.gz IHWSCOVFKLYLCT-JSGCOSHPSA-N 1 0 236.359 2.618 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCOC1CCCCC1 ZINC000111638309 588764923 /nfs/dbraw/zinc/76/49/23/588764923.db2.gz IHWSCOVFKLYLCT-OCCSQVGLSA-N 1 0 236.359 2.618 10 30 BFEERO C=CCSCC[NH2+]CCc1ccccc1 ZINC000221109249 592396115 /nfs/dbraw/zinc/39/61/15/592396115.db2.gz FFMUOYDWAPRNFD-UHFFFAOYSA-N 1 0 221.369 2.738 10 30 BFEERO C#CCC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000235772588 632827066 /nfs/dbraw/zinc/82/70/66/632827066.db2.gz BKFJSKHMGAVZRV-UHFFFAOYSA-N 1 0 207.704 2.761 10 30 BFEERO C=CCC[C@H](CCC)[NH2+]C1CC(OC)C1 ZINC000309224186 633870182 /nfs/dbraw/zinc/87/01/82/633870182.db2.gz VTUPRSULTNZCCH-HIFPTAJRSA-N 1 0 211.349 2.888 10 30 BFEERO C#CCC[NH2+]Cc1ccc(Br)s1 ZINC000070073173 642964148 /nfs/dbraw/zinc/96/41/48/642964148.db2.gz TVJVYHOPCBEDPC-UHFFFAOYSA-N 1 0 244.157 2.624 10 30 BFEERO CC(C)([NH3+])CCNc1ccc(C#N)c(Cl)c1 ZINC000304573786 643127926 /nfs/dbraw/zinc/12/79/26/643127926.db2.gz ILUBIUMTWNVGDQ-UHFFFAOYSA-N 1 0 237.734 2.751 10 30 BFEERO C#CCC[NH2+]Cc1ccccc1C(F)(F)F ZINC000082497091 643326658 /nfs/dbraw/zinc/32/66/58/643326658.db2.gz DRKAJOBNUHALQM-UHFFFAOYSA-N 1 0 227.229 2.818 10 30 BFEERO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000380174751 712705662 /nfs/dbraw/zinc/70/56/62/712705662.db2.gz FGFWZZLSSRYYED-RVMXOQNASA-N 1 0 206.333 2.703 10 30 BFEERO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000721859386 710687546 /nfs/dbraw/zinc/68/75/46/710687546.db2.gz IDTRFWADXTZZJU-LBPRGKRZSA-N 1 0 249.745 2.622 10 30 BFEERO C=C1CCC(C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000724458953 711581388 /nfs/dbraw/zinc/58/13/88/711581388.db2.gz WCKCZVURXPCLGK-ZIAGYGMSSA-N 1 0 223.360 2.626 10 30 BFEERO C#CCOCC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309368816 711676259 /nfs/dbraw/zinc/67/62/59/711676259.db2.gz BPCFOELAELMNNZ-NSHDSACASA-N 1 0 237.730 2.640 10 30 BFEERO CN(CCCCCC[NH3+])c1cccc(F)c1C#N ZINC000710692515 712254682 /nfs/dbraw/zinc/25/46/82/712254682.db2.gz GZJADCIFIUOBTH-UHFFFAOYSA-N 1 0 249.333 2.653 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711091365 712279586 /nfs/dbraw/zinc/27/95/86/712279586.db2.gz TXTZUQVJXCGUFB-VJTDZRGJSA-N 1 0 218.344 2.847 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711421617 712299349 /nfs/dbraw/zinc/29/93/49/712299349.db2.gz LOYJDRCAQJRXIM-BFHYXJOUSA-N 1 0 248.370 2.760 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711421626 712299503 /nfs/dbraw/zinc/29/95/03/712299503.db2.gz LOYJDRCAQJRXIM-MJBXVCDLSA-N 1 0 248.370 2.760 10 30 BFEERO CN(c1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000713297165 712458708 /nfs/dbraw/zinc/45/87/08/712458708.db2.gz JQCGHVUIRDONDE-UHFFFAOYSA-N 1 0 243.354 2.656 10 30 BFEERO CCCCCCC[C@H](C)[NH2+][C@@H]1C[C@H]1CO ZINC000380335183 712887215 /nfs/dbraw/zinc/88/72/15/712887215.db2.gz PVMXDCKNYAVKBO-RWMBFGLXSA-N 1 0 213.365 2.706 10 30 BFEERO C=C(Cl)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685959322 538906841 /nfs/dbraw/zinc/90/68/41/538906841.db2.gz RWCJUTXWIYUXDU-UHFFFAOYSA-N 1 0 237.730 2.878 10 30 BFEERO Cc1cc(C[C@@H](C)[NH3+])cc(C)c1OCCCC#N ZINC000037723268 178053830 /nfs/dbraw/zinc/05/38/30/178053830.db2.gz OLWHMNNIMJJMQS-CYBMUJFWSA-N 1 0 246.354 2.876 10 30 BFEERO Cc1ccc(C#N)c(OCC[C@H]2CCC[NH2+]C2)c1 ZINC000051918437 178365688 /nfs/dbraw/zinc/36/56/88/178365688.db2.gz SEWQOBSZDSOURC-CYBMUJFWSA-N 1 0 244.338 2.635 10 30 BFEERO C=C(C)CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000386685094 539013444 /nfs/dbraw/zinc/01/34/44/539013444.db2.gz JBMLJKBNJQKMLA-LSDHHAIUSA-N 1 0 236.403 2.901 10 30 BFEERO CC[C@H]([NH3+])C#Cc1ccc(Cl)cc1F ZINC000229906093 342854458 /nfs/dbraw/zinc/85/44/58/342854458.db2.gz KRLSNGBKNAEIDI-JTQLQIEISA-N 1 0 211.667 2.568 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C#N)cc1F ZINC000134740031 342880853 /nfs/dbraw/zinc/88/08/53/342880853.db2.gz TZCFIQROXMZOOW-RVBZMBCESA-N 1 0 218.275 2.756 10 30 BFEERO C=CCCC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C12CCC2 ZINC000336767081 136275978 /nfs/dbraw/zinc/27/59/78/136275978.db2.gz PKABRXGMNPVZGP-JHJVBQTASA-N 1 0 223.360 2.746 10 30 BFEERO C=C(C)[C@@H](NC)c1ccoc1Br ZINC000234458478 343505089 /nfs/dbraw/zinc/50/50/89/343505089.db2.gz NJAATXUBWXMMOR-MRVPVSSYSA-N 1 0 230.105 2.879 10 30 BFEERO C=CC[C@H](CO)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000320155865 192064463 /nfs/dbraw/zinc/06/44/63/192064463.db2.gz AAJMHATZGOPZHU-HWOWSKLDSA-N 1 0 245.366 2.768 10 30 BFEERO CCC(=[NH2+])Nc1cc(F)c(F)cc1F ZINC000062987861 343747120 /nfs/dbraw/zinc/74/71/20/343747120.db2.gz VKRZCAXCNLHNQT-UHFFFAOYSA-N 1 0 202.179 2.503 10 30 BFEERO CC[C@@](C)([NH3+])C#Cc1ccsc1Cl ZINC000306286186 343759475 /nfs/dbraw/zinc/75/94/75/343759475.db2.gz DGXWEWNJEVJLLE-SNVBAGLBSA-N 1 0 213.733 2.880 10 30 BFEERO CC(C)(C)C[C@@H]([NH3+])c1cccc(C#N)c1 ZINC000238073021 537817385 /nfs/dbraw/zinc/81/73/85/537817385.db2.gz JRJAGGSDEIGGAO-GFCCVEGCSA-N 1 0 202.301 2.994 10 30 BFEERO C=CCCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634725015 343945693 /nfs/dbraw/zinc/94/56/93/343945693.db2.gz DKGZUUWJCVVHTP-CHWSQXEVSA-N 1 0 225.376 2.872 10 30 BFEERO CC[C@@](C)([NH3+])C#Cc1ccc(Cl)s1 ZINC000307201470 343920108 /nfs/dbraw/zinc/92/01/08/343920108.db2.gz CDACDSKTDRXAFK-SNVBAGLBSA-N 1 0 213.733 2.880 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1ccc(Cl)cc1C ZINC000234437190 343966994 /nfs/dbraw/zinc/96/69/94/343966994.db2.gz SEOBQXRAULQBLF-GFCCVEGCSA-N 1 0 207.704 2.932 10 30 BFEERO CC#CC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792080 347047884 /nfs/dbraw/zinc/04/78/84/347047884.db2.gz FAKBAPSZTIBNLG-LLVKDONJSA-N 1 0 211.667 2.892 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCCCCC1 ZINC000054824810 344456409 /nfs/dbraw/zinc/45/64/09/344456409.db2.gz PMZDYLWUTPHNOA-YPMHNXCESA-N 1 0 206.333 2.991 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1CCCC1 ZINC000054824929 344457010 /nfs/dbraw/zinc/45/70/10/344457010.db2.gz IZNDDUDRMCRFCJ-CHWSQXEVSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000054823883 344457542 /nfs/dbraw/zinc/45/75/42/344457542.db2.gz VYDZXHAKFVPBTB-HUUCEWRRSA-N 1 0 228.339 2.901 10 30 BFEERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C#N)OC ZINC000381295491 344492771 /nfs/dbraw/zinc/49/27/71/344492771.db2.gz PEEZYUMCBPTAGZ-CRWXNKLISA-N 1 0 238.375 2.719 10 30 BFEERO C=CC[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037872174 344564629 /nfs/dbraw/zinc/56/46/29/344564629.db2.gz XDMIGJHSRNZLBJ-HNNXBMFYSA-N 1 0 227.307 2.649 10 30 BFEERO CC#CC[NH2+]Cc1csc(Br)c1 ZINC000136027477 344977099 /nfs/dbraw/zinc/97/70/99/344977099.db2.gz LVEMMLZDWFQZLL-UHFFFAOYSA-N 1 0 244.157 2.624 10 30 BFEERO C=C[C@@H]([NH3+])c1cscc1Br ZINC000238577549 345078729 /nfs/dbraw/zinc/07/87/29/345078729.db2.gz IBQLJYXDKLBPQK-SSDOTTSWSA-N 1 0 218.119 2.696 10 30 BFEERO C[C@]1(C(=O)C2=CCCCCC2)CCC[NH2+]1 ZINC000235728929 345809182 /nfs/dbraw/zinc/80/91/82/345809182.db2.gz KZLSQCNOCLSRHK-CYBMUJFWSA-N 1 0 207.317 2.588 10 30 BFEERO CC#CC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000159997771 345780052 /nfs/dbraw/zinc/78/00/52/345780052.db2.gz KGUOUWNRLLZUMP-LBPRGKRZSA-N 1 0 234.368 2.654 10 30 BFEERO N#CC1(CCc2ccccc2)CC[NH2+]CC1 ZINC000219562826 345859516 /nfs/dbraw/zinc/85/95/16/345859516.db2.gz CEGYMKQPXUGTEM-UHFFFAOYSA-N 1 0 214.312 2.513 10 30 BFEERO CC(C)[N@@H+]1CC[C@@]2(CC[C@H](CS)C2)C1 ZINC000095088256 346024387 /nfs/dbraw/zinc/02/43/87/346024387.db2.gz WVPFFXJXIDFGCN-NWDGAFQWSA-N 1 0 213.390 2.817 10 30 BFEERO Cc1cccc([C@H]([C@H](C)[NH3+])N(C)[C@@H](C)CC#N)c1 ZINC000063085286 179203023 /nfs/dbraw/zinc/20/30/23/179203023.db2.gz DSWOBXVNIJOZJX-YDHLFZDLSA-N 1 0 245.370 2.617 10 30 BFEERO CC1([NH3+])CCN(c2cc(Cl)ccc2C#N)CC1 ZINC000591434661 347659942 /nfs/dbraw/zinc/65/99/42/347659942.db2.gz ILWVLDYAIGDUBC-UHFFFAOYSA-N 1 0 249.745 2.529 10 30 BFEERO CC1([NH3+])CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000591435396 347660052 /nfs/dbraw/zinc/66/00/52/347660052.db2.gz RFXQYNXVLBYMNR-UHFFFAOYSA-N 1 0 249.745 2.529 10 30 BFEERO Cc1cnc(CC[NH2+][C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000592122688 347737715 /nfs/dbraw/zinc/73/77/15/347737715.db2.gz LTBGEKCDMYHNMV-ZFWWWQNUSA-N 1 0 243.354 2.523 10 30 BFEERO C=CCC[C@@H](O)C[N@@H+](CCC)Cc1ccco1 ZINC000036096513 166297195 /nfs/dbraw/zinc/29/71/95/166297195.db2.gz JZNUSHQWMVGWBP-CYBMUJFWSA-N 1 0 237.343 2.819 10 30 BFEERO C#CCOc1cccc(C[NH2+]CCC(C)C)c1 ZINC000045946002 187395304 /nfs/dbraw/zinc/39/53/04/187395304.db2.gz UUHAIDIWGGJAPI-UHFFFAOYSA-N 1 0 231.339 2.834 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000597081623 348658947 /nfs/dbraw/zinc/65/89/47/348658947.db2.gz CFTYRDOXNBXCIY-QJPTWQEYSA-N 1 0 204.317 2.601 10 30 BFEERO COC1CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000597196277 348673274 /nfs/dbraw/zinc/67/32/74/348673274.db2.gz CNFBKYPDZLTXAE-ABXWRUBCSA-N 1 0 236.359 2.616 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CS1 ZINC000597197943 348673635 /nfs/dbraw/zinc/67/36/35/348673635.db2.gz ZXBYCHMIACQIKT-FVCCEPFGSA-N 1 0 238.400 2.942 10 30 BFEERO CC#CC[C@H]([NH3+])c1ccc(Br)cc1 ZINC000051664985 350022730 /nfs/dbraw/zinc/02/27/30/350022730.db2.gz HOXPGUAHCPHPFK-NSHDSACASA-N 1 0 238.128 2.862 10 30 BFEERO C[N@H+](CCCCCO)CC1(S)CCCCC1 ZINC000038954381 350114119 /nfs/dbraw/zinc/11/41/19/350114119.db2.gz XCZBPIAEGYGQOS-UHFFFAOYSA-N 1 0 245.432 2.714 10 30 BFEERO Cc1nn(CCCCC#N)c(C)c1C[NH2+]C(C)C ZINC000049578972 180388034 /nfs/dbraw/zinc/38/80/34/180388034.db2.gz MCNKBPDBCGGBCA-UHFFFAOYSA-N 1 0 248.374 2.692 10 30 BFEERO C=C(Br)C[NH2+]C(C)(C)CC ZINC000037680856 187462523 /nfs/dbraw/zinc/46/25/23/187462523.db2.gz OUQGDFQBFLKVIE-UHFFFAOYSA-N 1 0 206.127 2.673 10 30 BFEERO C[N@@H+]1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616603572 350789751 /nfs/dbraw/zinc/78/97/51/350789751.db2.gz WLOGEHZULMWOEX-ZDUSSCGKSA-N 1 0 214.312 2.758 10 30 BFEERO C=C([C@@H]([NH3+])c1csc(C)n1)C(F)(F)F ZINC000306702146 350851243 /nfs/dbraw/zinc/85/12/43/350851243.db2.gz HPPBOBDKUZGVFF-SSDOTTSWSA-N 1 0 222.235 2.570 10 30 BFEERO CCNC(=[NH2+])Nc1cccc(Cl)c1Cl ZINC000052069781 350901643 /nfs/dbraw/zinc/90/16/43/350901643.db2.gz IXMBAIVCPKEWGD-UHFFFAOYSA-N 1 0 232.114 2.549 10 30 BFEERO N#CC[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000397559916 350916516 /nfs/dbraw/zinc/91/65/16/350916516.db2.gz AAUBAVBBBOXMBA-ZFWWWQNUSA-N 1 0 240.350 2.952 10 30 BFEERO C=C(CS)C[N@@H+]1CC[C@H]2CCCC[C@@H]21 ZINC000231633178 350990071 /nfs/dbraw/zinc/99/00/71/350990071.db2.gz XGKOPNLXQFIXRW-NEPJUHHUSA-N 1 0 211.374 2.737 10 30 BFEERO CC(C)[N@@H+]1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616644593 351161446 /nfs/dbraw/zinc/16/14/46/351161446.db2.gz GFGZAUPKIZTWQY-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO C[N@@H+]1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616656351 351202327 /nfs/dbraw/zinc/20/23/27/351202327.db2.gz WDBYLQVUQTVVSN-CQSZACIVSA-N 1 0 214.312 2.758 10 30 BFEERO C=CCN(CC=C)c1ccc([C@H](C)[NH3+])cc1 ZINC000019871896 166337354 /nfs/dbraw/zinc/33/73/54/166337354.db2.gz MLJSMFWHAYUQTP-LBPRGKRZSA-N 1 0 216.328 2.885 10 30 BFEERO CN/C(=[NH+]\C)S[C@@H]1CCC[C@H](C)C1 ZINC000307300830 351926083 /nfs/dbraw/zinc/92/60/83/351926083.db2.gz JEXQQVULDNEKIW-DTWKUNHWSA-N 1 0 200.351 2.504 10 30 BFEERO C=CC[NH2+]C[C@H](C)Oc1ccccc1OCC ZINC000053565023 187532312 /nfs/dbraw/zinc/53/23/12/187532312.db2.gz QCCTULXTXPYIMK-LBPRGKRZSA-N 1 0 235.327 2.628 10 30 BFEERO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CCC ZINC000336735342 351905681 /nfs/dbraw/zinc/90/56/81/351905681.db2.gz LSCJBMKGXOJNMH-MJBXVCDLSA-N 1 0 225.376 2.729 10 30 BFEERO C=CCC[C@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336738098 351981787 /nfs/dbraw/zinc/98/17/87/351981787.db2.gz JZGJYVWDXIYICD-STQMWFEESA-N 1 0 223.360 2.747 10 30 BFEERO C#CCC[C@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300926961 363147447 /nfs/dbraw/zinc/14/74/47/363147447.db2.gz QJWKNSVTFXOZFG-UWVGGRQHSA-N 1 0 201.260 2.553 10 30 BFEERO C=CCCC[NH2+]CCOCc1ccccc1 ZINC000307591086 352661930 /nfs/dbraw/zinc/66/19/30/352661930.db2.gz BZZMYXQCVQMUHA-UHFFFAOYSA-N 1 0 219.328 2.759 10 30 BFEERO C=C(C)COc1cc(OCCC)ccc1CC[NH3+] ZINC000037719784 187806457 /nfs/dbraw/zinc/80/64/57/187806457.db2.gz KSGGUWDYUJOWQT-UHFFFAOYSA-N 1 0 249.354 2.932 10 30 BFEERO C=C[C@H](C)Oc1c(C)cc(C[NH3+])cc1C ZINC000052140843 187811748 /nfs/dbraw/zinc/81/17/48/187811748.db2.gz IDUSOXVNSIGHFZ-NSHDSACASA-N 1 0 205.301 2.715 10 30 BFEERO CCCCCCC[NH+]1CCC(=NO)CC1 ZINC000059089412 187834374 /nfs/dbraw/zinc/83/43/74/187834374.db2.gz KVMYNBXYERVITE-UHFFFAOYSA-N 1 0 212.337 2.883 10 30 BFEERO C=CC[NH2+]C[C@@H](C)Oc1ccccc1CC=C ZINC000053588948 187871024 /nfs/dbraw/zinc/87/10/24/187871024.db2.gz UOOFZGQHNFJOLN-CYBMUJFWSA-N 1 0 231.339 2.958 10 30 BFEERO C=C(Cl)COc1ccc(C[NH2+]C)cc1OC ZINC000037704285 188082720 /nfs/dbraw/zinc/08/27/20/188082720.db2.gz DYHLAYZDOMGDRF-UHFFFAOYSA-N 1 0 241.718 2.546 10 30 BFEERO C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000336760024 353170068 /nfs/dbraw/zinc/17/00/68/353170068.db2.gz LWIVBMLPUFRRFO-KGYLQXTDSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@H](CCC1CC1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000336760027 353170106 /nfs/dbraw/zinc/17/01/06/353170106.db2.gz LWIVBMLPUFRRFO-WXHSDQCUSA-N 1 0 206.333 2.847 10 30 BFEERO CCC[NH+]=CNc1ccc(-c2c[nH]cn2)cc1 ZINC000027213890 188110508 /nfs/dbraw/zinc/11/05/08/188110508.db2.gz AILZMOKKCNCJMN-UHFFFAOYSA-N 1 0 228.299 2.927 10 30 BFEERO N#Cc1cc([C@H]2CCCC[NH2+]2)ccc1F ZINC000075869394 188116245 /nfs/dbraw/zinc/11/62/45/188116245.db2.gz WDFOUJWOCNKQEJ-GFCCVEGCSA-N 1 0 204.248 2.512 10 30 BFEERO SC[C@H]1CC[C@@]2(CC[N@@H+](C3CC3)C2)C1 ZINC000095079009 188145177 /nfs/dbraw/zinc/14/51/77/188145177.db2.gz OZSWRYNVDJFEQS-CMPLNLGQSA-N 1 0 211.374 2.571 10 30 BFEERO Cc1ccc2c(c1)CC[NH2+][C@@H]2[C@@H](C)S ZINC000075640756 188133033 /nfs/dbraw/zinc/13/30/33/188133033.db2.gz ICRLSDGVBHTCKU-BXKDBHETSA-N 1 0 207.342 2.500 10 30 BFEERO C=C(C)COc1c(CC[NH3+])cccc1OCC ZINC000037721838 188152565 /nfs/dbraw/zinc/15/25/65/188152565.db2.gz VRTUTQCAJTXHIH-UHFFFAOYSA-N 1 0 235.327 2.541 10 30 BFEERO C=CC[C@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000083345589 188179677 /nfs/dbraw/zinc/17/96/77/188179677.db2.gz BBDNJYUULDQKCT-QMMMGPOBSA-N 1 0 208.330 2.598 10 30 BFEERO CC#CC[NH2+][C@H](C)c1ccccc1OCC ZINC000161991209 353300416 /nfs/dbraw/zinc/30/04/16/353300416.db2.gz LTXISRITRIAFAB-GFCCVEGCSA-N 1 0 217.312 2.759 10 30 BFEERO C[C@H](CS)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000252210652 363218823 /nfs/dbraw/zinc/21/88/23/363218823.db2.gz WFLUZPBBFVXYGP-HBNTYKKESA-N 1 0 201.379 2.815 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334542128 353977075 /nfs/dbraw/zinc/97/70/75/353977075.db2.gz UOAOKKBGDCQOAT-CMPLNLGQSA-N 1 0 204.317 2.601 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000054823881 181060138 /nfs/dbraw/zinc/06/01/38/181060138.db2.gz REFBXKLUUAWWGE-UONOGXRCSA-N 1 0 214.312 2.511 10 30 BFEERO N#Cc1c(F)cccc1N[C@H]1CCCCC[C@@H]1[NH3+] ZINC000063214854 181076097 /nfs/dbraw/zinc/07/60/97/181076097.db2.gz ZOXGLZMKRIXHIS-JSGCOSHPSA-N 1 0 247.317 2.769 10 30 BFEERO N#Cc1c(F)cccc1N[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000063214853 181076164 /nfs/dbraw/zinc/07/61/64/181076164.db2.gz ZOXGLZMKRIXHIS-GXTWGEPZSA-N 1 0 247.317 2.769 10 30 BFEERO N#Cc1cc(Cl)ccc1[C@@H]1CCC[NH2+]1 ZINC000072201929 181087057 /nfs/dbraw/zinc/08/70/57/181087057.db2.gz BQDNURCZBOBBNP-NSHDSACASA-N 1 0 206.676 2.636 10 30 BFEERO N#Cc1ccccc1O[C@@H](C[NH3+])c1cccs1 ZINC000043109104 181149838 /nfs/dbraw/zinc/14/98/38/181149838.db2.gz DCTOOXQXFHCRCP-LBPRGKRZSA-N 1 0 244.319 2.699 10 30 BFEERO CC1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CCC1 ZINC000233019909 363390970 /nfs/dbraw/zinc/39/09/70/363390970.db2.gz OMXRSLNLEULMLB-NWDGAFQWSA-N 1 0 206.333 2.849 10 30 BFEERO CSC1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CCC1 ZINC000235092571 363436671 /nfs/dbraw/zinc/43/66/71/363436671.db2.gz ACBSBEJNGMPBIW-GHMZBOCLSA-N 1 0 224.373 2.554 10 30 BFEERO C#CC[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000166428221 355421924 /nfs/dbraw/zinc/42/19/24/355421924.db2.gz NNJCEAOKSDVBNO-ZIAGYGMSSA-N 1 0 217.287 2.685 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000168609740 356454425 /nfs/dbraw/zinc/45/44/25/356454425.db2.gz CWKHEWDYDIDYEH-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO CC(C)[C@@H]([NH3+])C#Cc1sccc1Cl ZINC000300871152 356493348 /nfs/dbraw/zinc/49/33/48/356493348.db2.gz HPBYBVBEVLQBHA-VIFPVBQESA-N 1 0 213.733 2.736 10 30 BFEERO CC(C)[C@@H]([NH3+])C#Cc1ccc(Cl)cc1 ZINC000300892652 356493520 /nfs/dbraw/zinc/49/35/20/356493520.db2.gz KAQKSELILXGQAU-LBPRGKRZSA-N 1 0 207.704 2.675 10 30 BFEERO N#CC1(C[N@@H+]2CCC[C@]3(CCCOC3)C2)CCC1 ZINC000336201066 134130642 /nfs/dbraw/zinc/13/06/42/134130642.db2.gz ORFIFJBHPPESJP-HNNXBMFYSA-N 1 0 248.370 2.573 10 30 BFEERO C[C@@H]1C[C@H]([C@H]2C[NH2+]C[C@@H](C=O)C2)CC(C)(C)C1 ZINC000675059582 538484017 /nfs/dbraw/zinc/48/40/17/538484017.db2.gz JLULJIQMYZSVSU-ZOBORPQBSA-N 1 0 237.387 2.873 10 30 BFEERO CC1(C)CCC[C@H]([C@@H]2C[NH2+]C[C@@H](C=O)C2)C1 ZINC000675059815 538485258 /nfs/dbraw/zinc/48/52/58/538485258.db2.gz NHHMEQZQJCBZNS-AVGNSLFASA-N 1 0 223.360 2.627 10 30 BFEERO CC1(C)CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059664 538485264 /nfs/dbraw/zinc/48/52/64/538485264.db2.gz KWABNQBBOLSVMG-AAEUAGOBSA-N 1 0 223.360 2.627 10 30 BFEERO C#CCCOc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000113335649 134161414 /nfs/dbraw/zinc/16/14/14/134161414.db2.gz GITADXJVTGHLTR-DOMZBBRYSA-N 1 0 229.323 2.587 10 30 BFEERO C#C[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000130079879 357177080 /nfs/dbraw/zinc/17/70/80/357177080.db2.gz WFQUBGUBTOFUFJ-QMMMGPOBSA-N 1 0 200.068 2.626 10 30 BFEERO C#C[C@H]([NH2+]C)c1cccc(Br)c1C ZINC000130089526 357183470 /nfs/dbraw/zinc/18/34/70/357183470.db2.gz AMMGVVSLDJMIQD-NSHDSACASA-N 1 0 238.128 2.651 10 30 BFEERO C#C[C@@H]([NH2+]C)c1ccc(Br)cc1C ZINC000130087955 357183718 /nfs/dbraw/zinc/18/37/18/357183718.db2.gz UNNAWZQXTURCHE-LLVKDONJSA-N 1 0 238.128 2.651 10 30 BFEERO C=CCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128728702 358580410 /nfs/dbraw/zinc/58/04/10/358580410.db2.gz NTIGXPJHZAFTHX-KBPBESRZSA-N 1 0 233.359 2.923 10 30 BFEERO C#C[C@H]([NH3+])c1ccc(Br)c(Cl)c1 ZINC000130221793 358960205 /nfs/dbraw/zinc/96/02/05/358960205.db2.gz JSIALJMPPCDBOR-VIFPVBQESA-N 1 0 244.519 2.736 10 30 BFEERO C=C(CS)C[N@@H+]1CC[C@@H]2CCCC[C@H]21 ZINC000299967425 358957574 /nfs/dbraw/zinc/95/75/74/358957574.db2.gz XGKOPNLXQFIXRW-NWDGAFQWSA-N 1 0 211.374 2.737 10 30 BFEERO C=C(CS)C[N@@H+]1CC[C@H]2CCCC[C@H]21 ZINC000299967426 358957629 /nfs/dbraw/zinc/95/76/29/358957629.db2.gz XGKOPNLXQFIXRW-VXGBXAGGSA-N 1 0 211.374 2.737 10 30 BFEERO C#CC[C@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000306249874 359449942 /nfs/dbraw/zinc/44/99/42/359449942.db2.gz RJHCCLKMTHIDAJ-QMMMGPOBSA-N 1 0 208.692 2.867 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cc(Br)ccc1C ZINC000130321838 359500801 /nfs/dbraw/zinc/50/08/01/359500801.db2.gz OIVIBCXDUASRKW-LLVKDONJSA-N 1 0 238.128 2.651 10 30 BFEERO C=C(Br)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000306527609 360369302 /nfs/dbraw/zinc/36/93/02/360369302.db2.gz YBXRGUYTONDIFB-CNUIFLNQSA-N 1 0 218.138 2.529 10 30 BFEERO C#C[C@@H]([NH3+])c1cc2cc(F)ccc2s1 ZINC000163721110 360453971 /nfs/dbraw/zinc/45/39/71/360453971.db2.gz CHDWSQBNMOZHSC-SECBINFHSA-N 1 0 205.257 2.673 10 30 BFEERO C=CC(C)(C)CC[NH2+]C[C@@H](O)C(C)(C)C ZINC000629587197 361475986 /nfs/dbraw/zinc/47/59/86/361475986.db2.gz GKGLPFSBAKMXAT-LLVKDONJSA-N 1 0 213.365 2.585 10 30 BFEERO N#Cc1ccc(-c2ccc(C[NH3+])s2)s1 ZINC000070601117 361587816 /nfs/dbraw/zinc/58/78/16/361587816.db2.gz LHEUVCGHFIQNRZ-UHFFFAOYSA-N 1 0 220.322 2.807 10 30 BFEERO C[C@H](C#N)Sc1ccc([C@H](C)[NH3+])cc1 ZINC000070620959 361647555 /nfs/dbraw/zinc/64/75/55/361647555.db2.gz NUJCXNQHOJBXFS-BDAKNGLRSA-N 1 0 206.314 2.710 10 30 BFEERO CC#CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000135267713 364434166 /nfs/dbraw/zinc/43/41/66/364434166.db2.gz IODFODZYICGXAL-SECBINFHSA-N 1 0 209.239 2.639 10 30 BFEERO C=CCCC[C@@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340912147 365507542 /nfs/dbraw/zinc/50/75/42/365507542.db2.gz MYJXLCQHOZAWJK-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C=CCCCCC[N@H+]1CCC[C@H](O)[C@H]1C ZINC000384727044 367722208 /nfs/dbraw/zinc/72/22/08/367722208.db2.gz AJBDYGPXQACTBJ-OLZOCXBDSA-N 1 0 211.349 2.578 10 30 BFEERO C#CC[N@@H+](CCC)[C@H]1CCc2ccc(O)cc2C1 ZINC000038418341 368409182 /nfs/dbraw/zinc/40/91/82/368409182.db2.gz ABWBPOZDOXARFZ-HNNXBMFYSA-N 1 0 243.350 2.595 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccc(F)c(OC)c1 ZINC000130817301 369090162 /nfs/dbraw/zinc/09/01/62/369090162.db2.gz XQCXPCBWTKRIPZ-LLVKDONJSA-N 1 0 209.264 2.800 10 30 BFEERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000251123595 369674656 /nfs/dbraw/zinc/67/46/56/369674656.db2.gz RREOKMCMAWLXDR-GRYCIOLGSA-N 1 0 208.349 2.950 10 30 BFEERO C[C@H](CC1CC1)[NH2+][C@H]1CCCC[C@H]1C#N ZINC000251172257 369707418 /nfs/dbraw/zinc/70/74/18/369707418.db2.gz FHYPLROAKFXBGW-WXHSDQCUSA-N 1 0 206.333 2.847 10 30 BFEERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000251172254 369707559 /nfs/dbraw/zinc/70/75/59/369707559.db2.gz FHYPLROAKFXBGW-KGYLQXTDSA-N 1 0 206.333 2.847 10 30 BFEERO N#Cc1ccc(Cl)cc1NCC1CC[NH2+]CC1 ZINC000062785821 370096203 /nfs/dbraw/zinc/09/62/03/370096203.db2.gz FAAVWXXDUNVQIR-UHFFFAOYSA-N 1 0 249.745 2.623 10 30 BFEERO C=CCC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000310589992 370354474 /nfs/dbraw/zinc/35/44/74/370354474.db2.gz YQJYZHUEIJTEFS-NSHDSACASA-N 1 0 213.365 2.585 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000389986415 371183717 /nfs/dbraw/zinc/18/37/17/371183717.db2.gz DILJCFCPSWTJCW-KOLCDFICSA-N 1 0 228.286 2.846 10 30 BFEERO N#Cc1ccc(F)c(CN2C[C@H]3CCC[C@H]32)c1 ZINC000335837392 371545805 /nfs/dbraw/zinc/54/58/05/371545805.db2.gz HFEOXHVUFBDLGX-BXUZGUMPSA-N 1 0 230.286 2.682 10 30 BFEERO Cc1nc(CC[NH2+][C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000226384916 371658849 /nfs/dbraw/zinc/65/88/49/371658849.db2.gz XGURDSHTPICMQX-DGCLKSJQSA-N 1 0 249.383 2.666 10 30 BFEERO C[C@@H]1[C@H](C)SCC[N@@H+]1CC(C)(C)CS ZINC000132804335 371924985 /nfs/dbraw/zinc/92/49/85/371924985.db2.gz XWXFFEGWBAEMJM-ZJUUUORDSA-N 1 0 233.446 2.768 10 30 BFEERO C[NH2+]CC#Cc1ccc(Cl)c(Cl)c1 ZINC000229452894 372153273 /nfs/dbraw/zinc/15/32/73/372153273.db2.gz JFVJSWVRWRKTSM-UHFFFAOYSA-N 1 0 214.095 2.564 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229650375 372177574 /nfs/dbraw/zinc/17/75/74/372177574.db2.gz WHLXJOIHYGHSCJ-KGLIPLIRSA-N 1 0 239.322 2.950 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229650393 372177850 /nfs/dbraw/zinc/17/78/50/372177850.db2.gz WHLXJOIHYGHSCJ-ZIAGYGMSSA-N 1 0 239.322 2.950 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229650384 372178055 /nfs/dbraw/zinc/17/80/55/372178055.db2.gz WHLXJOIHYGHSCJ-UONOGXRCSA-N 1 0 239.322 2.950 10 30 BFEERO [NH3+]CCCC#Cc1cscc1Br ZINC000229818012 372198246 /nfs/dbraw/zinc/19/82/46/372198246.db2.gz MTLRPXCPXCVMJI-UHFFFAOYSA-N 1 0 244.157 2.601 10 30 BFEERO CCCN[C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000020379989 169284450 /nfs/dbraw/zinc/28/44/50/169284450.db2.gz FROHLBBOQXDDAQ-CQSZACIVSA-N 1 0 232.327 2.607 10 30 BFEERO CCC[NH2+][C@H]1CCC2=C(CCCC2=O)C1 ZINC000091366513 169290733 /nfs/dbraw/zinc/29/07/33/169290733.db2.gz VUYDYOIDCWUAEU-NSHDSACASA-N 1 0 207.317 2.588 10 30 BFEERO CCCOc1ccc2ccccc2c1C#CC[NH3+] ZINC000038077877 169323578 /nfs/dbraw/zinc/32/35/78/169323578.db2.gz RMHILCJJDIWTOO-UHFFFAOYSA-N 1 0 239.318 2.939 10 30 BFEERO C[C@H](CC#N)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224315581 134345970 /nfs/dbraw/zinc/34/59/70/134345970.db2.gz LIXWATHZUMXSHP-TZMCWYRMSA-N 1 0 214.312 2.778 10 30 BFEERO C[NH+](C)Cc1ccc(-c2cccc(C#N)c2)o1 ZINC000082293373 384099329 /nfs/dbraw/zinc/09/93/29/384099329.db2.gz QSGUAIZMFUVYAQ-UHFFFAOYSA-N 1 0 226.279 2.880 10 30 BFEERO CN(C)c1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000095082157 384358316 /nfs/dbraw/zinc/35/83/16/384358316.db2.gz MSVXTGKXMQMVSM-UHFFFAOYSA-N 1 0 231.343 2.946 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000165235182 384410361 /nfs/dbraw/zinc/41/03/61/384410361.db2.gz SDFKZXXNRXFAPR-CABZTGNLSA-N 1 0 220.341 2.898 10 30 BFEERO C[C@H](CCCC[NH3+])Nc1cccc(F)c1C#N ZINC000310563011 384419740 /nfs/dbraw/zinc/41/97/40/384419740.db2.gz WJSSAUNPWZCCRA-SNVBAGLBSA-N 1 0 235.306 2.627 10 30 BFEERO CC[C@@H](C[NH2+]CCS)Oc1ccccc1C ZINC000096328063 384453402 /nfs/dbraw/zinc/45/34/02/384453402.db2.gz LKVLVOVGRDOMHJ-LBPRGKRZSA-N 1 0 239.384 2.672 10 30 BFEERO CC(C)[NH2+][C@H]1CCCN(c2ccccc2C#N)C1 ZINC000084553470 384736191 /nfs/dbraw/zinc/73/61/91/384736191.db2.gz PPIIHKWLBGQRJL-AWEZNQCLSA-N 1 0 243.354 2.525 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309543903 385108669 /nfs/dbraw/zinc/10/86/69/385108669.db2.gz YZTUKCAFAVXMRM-WCQYABFASA-N 1 0 218.344 2.991 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000308842678 385215522 /nfs/dbraw/zinc/21/55/22/385215522.db2.gz KQUZEIDJMMZGCF-RVMXOQNASA-N 1 0 206.333 2.869 10 30 BFEERO C#CC[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000164590276 386075504 /nfs/dbraw/zinc/07/55/04/386075504.db2.gz VEGJYQLDOBSXMP-IHRRRGAJSA-N 1 0 235.371 2.726 10 30 BFEERO C=CCCCCC[N@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399145127 386420234 /nfs/dbraw/zinc/42/02/34/386420234.db2.gz BSKINEGWMUWAAM-STQMWFEESA-N 1 0 211.349 2.578 10 30 BFEERO N#CC1(C[N@@H+]2CCCC3(CCOCC3)C2)CCC1 ZINC000334774097 386824885 /nfs/dbraw/zinc/82/48/85/386824885.db2.gz ANDISGXONDJBRU-UHFFFAOYSA-N 1 0 248.370 2.573 10 30 BFEERO N#CCC1(C[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000336670115 386810368 /nfs/dbraw/zinc/81/03/68/386810368.db2.gz GQRTVFWCGZRSCR-RYUDHWBXSA-N 1 0 224.323 2.798 10 30 BFEERO O=C(C[N+](=O)[C@H]1CCCC1=NO)c1ccccc1 ZINC000575427121 387054543 /nfs/dbraw/zinc/05/45/43/387054543.db2.gz SLVXLPNGLOMUOJ-PBBNAPBQSA-O 1 0 247.274 2.705 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(C#N)c1 ZINC000052274727 387465725 /nfs/dbraw/zinc/46/57/25/387465725.db2.gz LFWUZBAXVKXPRK-NRUUGDAUSA-N 1 0 200.285 2.617 10 30 BFEERO N#CCCCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000105938896 387940345 /nfs/dbraw/zinc/94/03/45/387940345.db2.gz KKUNJUOVDYBDSG-SNVBAGLBSA-N 1 0 234.265 2.955 10 30 BFEERO C=CCCC[N@@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000245645503 387969057 /nfs/dbraw/zinc/96/90/57/387969057.db2.gz FSQAWYKGQQXAIW-LSDHHAIUSA-N 1 0 231.339 2.543 10 30 BFEERO C#C[C@H]([NH2+]C)c1cc(Cl)cc(Cl)c1 ZINC000130275309 388022330 /nfs/dbraw/zinc/02/23/30/388022330.db2.gz QUXLOBNPWZJEAM-JTQLQIEISA-N 1 0 214.095 2.887 10 30 BFEERO C#C[C@H]([NH2+]C)c1cc2c(s1)CCCC2 ZINC000130275742 388022600 /nfs/dbraw/zinc/02/26/00/388022600.db2.gz LCLPHFZFUIUODE-JTQLQIEISA-N 1 0 205.326 2.521 10 30 BFEERO C[C@H]1C[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037991 388099273 /nfs/dbraw/zinc/09/92/73/388099273.db2.gz ZXKMCOHEAUTTFU-HRNJWANLSA-N 1 0 226.323 2.608 10 30 BFEERO C#CCOc1c(C[NH2+]CCC)cccc1OCC ZINC000037704965 388646572 /nfs/dbraw/zinc/64/65/72/388646572.db2.gz ZBTKLHZXWLXEOV-UHFFFAOYSA-N 1 0 247.338 2.597 10 30 BFEERO C=C[C@H]([NH3+])c1cc(Cl)cc(F)c1F ZINC000575496177 388966849 /nfs/dbraw/zinc/96/68/49/388966849.db2.gz KLOCZVKAKDZXOB-QMMMGPOBSA-N 1 0 203.619 2.804 10 30 BFEERO N#CCCCC[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000363037631 134215043 /nfs/dbraw/zinc/21/50/43/134215043.db2.gz KGZPWKYSMHSONU-CHWSQXEVSA-N 1 0 206.333 2.945 10 30 BFEERO C=CC[C@@H](C)[NH2+]Cc1ccn(CCC)c1 ZINC000169128064 134249606 /nfs/dbraw/zinc/24/96/06/134249606.db2.gz NQPJSQPQEVMNAY-GFCCVEGCSA-N 1 0 206.333 2.952 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000226616966 134367995 /nfs/dbraw/zinc/36/79/95/134367995.db2.gz IJOQXGSAUVOYAB-ARFHVFGLSA-N 1 0 240.350 2.826 10 30 BFEERO C[C@H](CC#N)[N@@H+]1CCCc2ccccc2C1 ZINC000062944661 134394758 /nfs/dbraw/zinc/39/47/58/134394758.db2.gz LAKPFDFYMHFLIL-GFCCVEGCSA-N 1 0 214.312 2.737 10 30 BFEERO N#CCC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000336670114 134895879 /nfs/dbraw/zinc/89/58/79/134895879.db2.gz GQRTVFWCGZRSCR-NWDGAFQWSA-N 1 0 224.323 2.798 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C1CCSCC1 ZINC000336758734 134936681 /nfs/dbraw/zinc/93/66/81/134936681.db2.gz ZQMKLDLUKDLVKR-CYZMBNFOSA-N 1 0 238.400 2.800 10 30 BFEERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C12CCC2 ZINC000250493972 135056368 /nfs/dbraw/zinc/05/63/68/135056368.db2.gz JBGZGJCQGQKYFE-RFQIPJPRSA-N 1 0 248.370 2.616 10 30 BFEERO C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000251841310 135078582 /nfs/dbraw/zinc/07/85/82/135078582.db2.gz OEVQLIAZLSPMBS-VOAKCMCISA-N 1 0 206.333 2.847 10 30 BFEERO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1C#N ZINC000252187394 135086551 /nfs/dbraw/zinc/08/65/51/135086551.db2.gz RANJHTNJXPMUDP-VOAKCMCISA-N 1 0 206.333 2.847 10 30 BFEERO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253088369 135120329 /nfs/dbraw/zinc/12/03/29/135120329.db2.gz FGIGRCPAVNQIJG-MGPQQGTHSA-N 1 0 223.360 2.578 10 30 BFEERO C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253090609 135120686 /nfs/dbraw/zinc/12/06/86/135120686.db2.gz IIIRPEQMQQYUAS-RRFJBIMHSA-N 1 0 237.387 2.968 10 30 BFEERO C[NH+]=C(N[C@@H](C)c1ccc(C)c(F)c1)NC1CC1 ZINC000261983379 135269397 /nfs/dbraw/zinc/26/93/97/135269397.db2.gz PKLSDFUNQXWWSV-JTQLQIEISA-N 1 0 249.333 2.523 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1cccnc1Br ZINC000307425142 398103039 /nfs/dbraw/zinc/10/30/39/398103039.db2.gz QJOJJRWANYZPOE-VIFPVBQESA-N 1 0 241.132 2.810 10 30 BFEERO C#CCC[C@@H](Cc1cccc(OC)c1)[NH2+]CC ZINC000104352850 166152715 /nfs/dbraw/zinc/15/27/15/166152715.db2.gz FVEREFGBLLIZER-AWEZNQCLSA-N 1 0 231.339 2.629 10 30 BFEERO C#CCN(C(C)=[NH2+])c1ccc(CC)cc1 ZINC000039100582 166155715 /nfs/dbraw/zinc/15/57/15/166155715.db2.gz TXDKVZIZKJCUII-UHFFFAOYSA-N 1 0 200.285 2.686 10 30 BFEERO C#CC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000019875436 166192370 /nfs/dbraw/zinc/19/23/70/166192370.db2.gz JFTPFADHYPKUQB-SECBINFHSA-N 1 0 238.128 2.733 10 30 BFEERO C#CCOc1ccc(C[NH2+]CCC)cc1OCC ZINC000037486617 166198512 /nfs/dbraw/zinc/19/85/12/166198512.db2.gz XYZMHRPMLLYMGR-UHFFFAOYSA-N 1 0 247.338 2.597 10 30 BFEERO C#CC[C@H](CCOc1ccccc1)[NH2+]CCC ZINC000051074523 166206486 /nfs/dbraw/zinc/20/64/86/166206486.db2.gz IZHOVHDLGGYWAS-CQSZACIVSA-N 1 0 231.339 2.847 10 30 BFEERO C#CC[C@H](Cc1ccc(OC)cc1)[NH2+]CCC ZINC000051075071 166206667 /nfs/dbraw/zinc/20/66/67/166206667.db2.gz SBFHLUBCAQBBMX-CQSZACIVSA-N 1 0 231.339 2.629 10 30 BFEERO C=CCCOCCOc1ccccc1C[NH2+]CC ZINC000052599492 166270626 /nfs/dbraw/zinc/27/06/26/166270626.db2.gz NRAYROYKEPEWAB-UHFFFAOYSA-N 1 0 249.354 2.768 10 30 BFEERO C=CCCOc1cc(C[NH2+]C(C)(C)C)ccn1 ZINC000051522823 166289788 /nfs/dbraw/zinc/28/97/88/166289788.db2.gz JVUJYBCMYDCGQR-UHFFFAOYSA-N 1 0 234.343 2.925 10 30 BFEERO C=CC[NH2+]CC[C@@H](O)c1c(C)cc(C)cc1C ZINC000049825905 166399244 /nfs/dbraw/zinc/39/92/44/166399244.db2.gz BUUQZQODRALYIT-CQSZACIVSA-N 1 0 233.355 2.811 10 30 BFEERO C=CC[NH2+]CCOc1ccc2c(c1)CCCC2 ZINC000053592242 166399250 /nfs/dbraw/zinc/39/92/50/166399250.db2.gz NKDXTIHDUFRUJQ-UHFFFAOYSA-N 1 0 231.339 2.720 10 30 BFEERO C=CC[NH2+]CCC(=O)c1ccc(C)c(C)c1 ZINC000049816401 166399326 /nfs/dbraw/zinc/39/93/26/166399326.db2.gz SBZXHGDXCHCBOR-UHFFFAOYSA-N 1 0 217.312 2.652 10 30 BFEERO CC(C)CCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000038093775 166813324 /nfs/dbraw/zinc/81/33/24/166813324.db2.gz FQUSMMDZDMPPJN-HNNXBMFYSA-N 1 0 246.354 2.617 10 30 BFEERO CCN/C(Cc1cccc(C)c1)=[NH+]\CC ZINC000029463378 167861868 /nfs/dbraw/zinc/86/18/68/167861868.db2.gz KSNHHBQYDFGMSC-UHFFFAOYSA-N 1 0 204.317 2.565 10 30 BFEERO CC1CCC([NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000054823844 168165230 /nfs/dbraw/zinc/16/52/30/168165230.db2.gz ITRWESVBKZPRRH-KPFVRQRISA-N 1 0 206.333 2.847 10 30 BFEERO CCC(C)(C)OCc1ccc(C#CC[NH3+])cc1F ZINC000049610954 168304415 /nfs/dbraw/zinc/30/44/15/168304415.db2.gz UQMJXOKUVKDGEZ-UHFFFAOYSA-N 1 0 249.329 2.841 10 30 BFEERO CC(C)(C)[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000616648096 411411245 /nfs/dbraw/zinc/41/12/45/411411245.db2.gz PCQVOHSNLGBMDB-AWEZNQCLSA-N 1 0 244.338 2.730 10 30 BFEERO CCN(C[C@H](C)C#N)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042447256 169889677 /nfs/dbraw/zinc/88/96/77/169889677.db2.gz GJDXYSVNFIKROQ-VXGBXAGGSA-N 1 0 231.343 2.692 10 30 BFEERO CC[NH2+]Cc1cccc(OCCCCC#N)c1 ZINC000049578242 170127951 /nfs/dbraw/zinc/12/79/51/170127951.db2.gz XQVREZKCCNVDEY-UHFFFAOYSA-N 1 0 232.327 2.869 10 30 BFEERO CC[NH2+][C@@H](C)c1ccccc1N(C)CCC#N ZINC000034840022 170141805 /nfs/dbraw/zinc/14/18/05/170141805.db2.gz ZISCRBNQTHQELJ-LBPRGKRZSA-N 1 0 231.343 2.707 10 30 BFEERO CCN[C@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846542 170169553 /nfs/dbraw/zinc/16/95/53/170169553.db2.gz ZERKTDDZBWZIBD-AWEZNQCLSA-N 1 0 232.327 2.520 10 30 BFEERO COCC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000127414600 174385327 /nfs/dbraw/zinc/38/53/27/174385327.db2.gz DGJIUXGZGBWJMN-NXEZZACHSA-N 1 0 238.356 2.695 10 30 BFEERO C[C@@H]([NH2+]CC1CC1)c1ccc(C#N)s1 ZINC000132696581 175869700 /nfs/dbraw/zinc/86/97/00/175869700.db2.gz HTEFTVFKPMHLKF-MRVPVSSYSA-N 1 0 206.314 2.680 10 30 BFEERO C[C@@H]1CCC[C@H]([N@H+](C)CC[C@@H](C#N)NC2CC2)C1 ZINC000062436686 176140205 /nfs/dbraw/zinc/14/02/05/176140205.db2.gz ADOBVZMOWNZLQP-SNPRPXQTSA-N 1 0 249.402 2.531 10 30 BFEERO C[C@H]1C[C@H]1C[N@H+](C)[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000104409434 177196859 /nfs/dbraw/zinc/19/68/59/177196859.db2.gz RJCPFAAJTJPOPM-PDWCTOEPSA-N 1 0 220.360 2.903 10 30 BFEERO C[C@H]1C[C@@H](S)CC[N@@H+]1Cc1ccccc1 ZINC000073656731 177338069 /nfs/dbraw/zinc/33/80/69/177338069.db2.gz ALMZDSOAMGIJCJ-AAEUAGOBSA-N 1 0 221.369 2.969 10 30 BFEERO CC(C)(C)OCCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000595702980 487876300 /nfs/dbraw/zinc/87/63/00/487876300.db2.gz ZKGJEEQDWMFHOP-STQMWFEESA-N 1 0 238.375 2.864 10 30 BFEERO C=CCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000168568807 487521655 /nfs/dbraw/zinc/52/16/55/487521655.db2.gz LOLDXSRROROMHP-SNVBAGLBSA-N 1 0 221.348 2.747 10 30 BFEERO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000054182469 535726064 /nfs/dbraw/zinc/72/60/64/535726064.db2.gz HDIVTVQHVQZEJR-QWRGUYRKSA-N 1 0 248.326 2.744 10 30 BFEERO CCCCCCCCCC(=O)NC[C@H]([NH3+])CC ZINC000116308980 519977589 /nfs/dbraw/zinc/97/75/89/519977589.db2.gz KKZDERMWCBIHFI-CYBMUJFWSA-N 1 0 242.407 2.981 10 30 BFEERO CCCCCCC[NH2+]Cc1ccnc(C)n1 ZINC000103366420 520058008 /nfs/dbraw/zinc/05/80/08/520058008.db2.gz FNIOYEMFDADPQU-UHFFFAOYSA-N 1 0 221.348 2.845 10 30 BFEERO C=CC[C@@H](C)[NH2+]C1CC(c2ccccn2)C1 ZINC000309547037 534887148 /nfs/dbraw/zinc/88/71/48/534887148.db2.gz HDFQBYDFBWZGSN-PNESKVBLSA-N 1 0 216.328 2.882 10 30 BFEERO CCCCCCCCc1nc(CC[NH2+]C)no1 ZINC000115065842 588905635 /nfs/dbraw/zinc/90/56/35/588905635.db2.gz WMYDRBLYRBISFL-UHFFFAOYSA-N 1 0 239.363 2.735 10 30 BFEERO CCCCCCCc1nc([C@@H](C)C[NH3+])no1 ZINC000107596594 588383797 /nfs/dbraw/zinc/38/37/97/588383797.db2.gz CPGRODAOYGBWPS-JTQLQIEISA-N 1 0 225.336 2.645 10 30 BFEERO CC(C)(C)SCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000308889537 632090171 /nfs/dbraw/zinc/09/01/71/632090171.db2.gz XAHDXNBYGIGYRY-MNOVXSKESA-N 1 0 226.389 2.800 10 30 BFEERO CCCCCCCC[NH2+]C(C)(C)CO ZINC000102300626 632554053 /nfs/dbraw/zinc/55/40/53/632554053.db2.gz BIEHZONUNXORMT-UHFFFAOYSA-N 1 0 201.354 2.707 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCCC1CC1 ZINC000156978032 640520860 /nfs/dbraw/zinc/52/08/60/640520860.db2.gz SCQUAXVMPOSEHU-STQMWFEESA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000228414422 640873741 /nfs/dbraw/zinc/87/37/41/640873741.db2.gz WAMYGQWSFXJRNY-YPMHNXCESA-N 1 0 230.311 2.564 10 30 BFEERO C#CCC[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000070159524 642977821 /nfs/dbraw/zinc/97/78/21/642977821.db2.gz PWMWKUMIZIYITE-UHFFFAOYSA-N 1 0 227.229 2.818 10 30 BFEERO CC1(C[NH2+][C@H]2CCC[C@H]2C#N)CCCC1 ZINC000082637483 643356636 /nfs/dbraw/zinc/35/66/36/643356636.db2.gz FZHQNTQDDRCXMX-RYUDHWBXSA-N 1 0 206.333 2.849 10 30 BFEERO C#CCC[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000220723599 643379282 /nfs/dbraw/zinc/37/92/82/643379282.db2.gz ZGRURSZDHFHESK-UHFFFAOYSA-N 1 0 243.228 2.698 10 30 BFEERO C#CCC[NH2+]Cc1ccc(Br)cc1 ZINC000082496823 643511081 /nfs/dbraw/zinc/51/10/81/643511081.db2.gz NEOZTCNETAWFJD-UHFFFAOYSA-N 1 0 238.128 2.562 10 30 BFEERO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000718767324 712782068 /nfs/dbraw/zinc/78/20/68/712782068.db2.gz WFWKHLAPYCDFGB-FQUUOJAGSA-N 1 0 236.359 2.616 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722329083 711737824 /nfs/dbraw/zinc/73/78/24/711737824.db2.gz CLXIJYLPHUSWLN-XGUBFFRZSA-N 1 0 248.370 2.616 10 30 BFEERO CSC1CC([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000708306234 712186481 /nfs/dbraw/zinc/18/64/81/712186481.db2.gz ZFOXAYLAEPFCIT-HBIQZDMRSA-N 1 0 224.373 2.552 10 30 BFEERO COCC1CC([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000713981579 712475930 /nfs/dbraw/zinc/47/59/30/712475930.db2.gz UGIFMCIITKVHAF-NUYPLMSZSA-N 1 0 244.338 2.634 10 30 BFEERO CC(C)[N+]1(C)CCC(C=O)(c2ccccc2)CC1 ZINC000033638683 717121574 /nfs/dbraw/zinc/12/15/74/717121574.db2.gz OHJQUHDRYYZQCV-UHFFFAOYSA-N 1 0 246.374 2.772 10 30 BFEERO C#CCCCCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685959403 538906862 /nfs/dbraw/zinc/90/68/62/538906862.db2.gz UWGHJPRCLCBHDO-UHFFFAOYSA-N 1 0 243.350 2.929 10 30 BFEERO CCC(C=O)(CC)C[N@H+](C)Cc1ccccn1 ZINC000051177018 168311246 /nfs/dbraw/zinc/31/12/46/168311246.db2.gz LBFNROCPBPBWLV-UHFFFAOYSA-N 1 0 234.343 2.519 10 30 BFEERO C=CCCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960632 538907714 /nfs/dbraw/zinc/90/77/14/538907714.db2.gz VOXYLIKFBHKJMO-UHFFFAOYSA-N 1 0 217.312 2.702 10 30 BFEERO C#CCCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960415 538907836 /nfs/dbraw/zinc/90/78/36/538907836.db2.gz JUEUDQDRAZJYAU-UHFFFAOYSA-N 1 0 229.323 2.539 10 30 BFEERO C=CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000395359830 262786889 /nfs/dbraw/zinc/78/68/89/262786889.db2.gz AZCDRKVCVMSOQY-UTUOFQBUSA-N 1 0 223.360 2.602 10 30 BFEERO Cc1cc([C@@H](C)O)cc(C)c1/[NH+]=C/N(C)C ZINC000100802625 178234175 /nfs/dbraw/zinc/23/41/75/178234175.db2.gz DNUSGNNAOQQCRW-GYBQTFJISA-N 1 0 220.316 2.578 10 30 BFEERO CCC(CC)[N@H+](CCOC)[C@H]1CCC[C@@H]1C#N ZINC000042616424 168376310 /nfs/dbraw/zinc/37/63/10/168376310.db2.gz MOJRGSPYSSFVPJ-OCCSQVGLSA-N 1 0 238.375 2.816 10 30 BFEERO CC(C)[NH+]=CNc1ccc(-c2c[nH]cn2)cc1 ZINC000001999466 342714203 /nfs/dbraw/zinc/71/42/03/342714203.db2.gz GOZUADYOHPCXLE-UHFFFAOYSA-N 1 0 228.299 2.735 10 30 in-man BFEERO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000378806710 538974463 /nfs/dbraw/zinc/97/44/63/538974463.db2.gz XJYMBNFBHPVEJB-MJBXVCDLSA-N 1 0 223.360 2.624 10 30 BFEERO CCC(CC)[C@@H](C)[NH2+]Cc1cccnc1C#N ZINC000104433242 168399736 /nfs/dbraw/zinc/39/97/36/168399736.db2.gz GVIWMFYNLSTPJC-LLVKDONJSA-N 1 0 231.343 2.868 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000231674746 398326104 /nfs/dbraw/zinc/32/61/04/398326104.db2.gz ASQSOIHYXJAOFN-OCCSQVGLSA-N 1 0 244.338 2.845 10 30 BFEERO C[C@@H]([NH3+])c1ccc(Oc2ncccc2C#N)cc1 ZINC000058824587 398327347 /nfs/dbraw/zinc/32/73/47/398327347.db2.gz BOEXVJGYSPNMTO-SNVBAGLBSA-N 1 0 239.278 2.765 10 30 BFEERO C[C@H]([NH3+])c1ccc(Oc2ncccc2C#N)cc1 ZINC000058824584 398327410 /nfs/dbraw/zinc/32/74/10/398327410.db2.gz BOEXVJGYSPNMTO-JTQLQIEISA-N 1 0 239.278 2.765 10 30 BFEERO N#Cc1cccc(CN2C[C@@H]3CCC[C@@H]32)c1F ZINC000335900226 136258553 /nfs/dbraw/zinc/25/85/53/136258553.db2.gz UMXRDHYRJQFJGR-AAEUAGOBSA-N 1 0 230.286 2.682 10 30 BFEERO C=CCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000117874620 358452258 /nfs/dbraw/zinc/45/22/58/358452258.db2.gz RFRMDIMTZMUTDO-STQMWFEESA-N 1 0 209.333 2.596 10 30 BFEERO N#CCCCC[N@@H+]1CCC[C@@H]1c1nccs1 ZINC000368875404 136276926 /nfs/dbraw/zinc/27/69/26/136276926.db2.gz LHVJKMLUGGRCJD-LLVKDONJSA-N 1 0 235.356 2.974 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300023758 343263913 /nfs/dbraw/zinc/26/39/13/343263913.db2.gz DTSACIHPNSQNHZ-KATARQTJSA-N 1 0 217.403 2.515 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000054828463 136373272 /nfs/dbraw/zinc/37/32/72/136373272.db2.gz PKELCYSXCBQHCO-RWMBFGLXSA-N 1 0 204.317 2.625 10 30 BFEERO C#CC[NH2+]C[C@H](C)Oc1ccccc1C(C)C ZINC000053567559 166188921 /nfs/dbraw/zinc/18/89/21/166188921.db2.gz RRBRZRALTXSHGG-ZDUSSCGKSA-N 1 0 231.339 2.800 10 30 BFEERO C#CC[NH2+][C@@H](C)c1c(C)cc(C)cc1C ZINC000019875572 166189896 /nfs/dbraw/zinc/18/98/96/166189896.db2.gz CRTDCHIXYFOYGH-ZDUSSCGKSA-N 1 0 201.313 2.896 10 30 BFEERO N#Cc1ccc(NC2=[NH+]Cc3ccccc3N2)cc1 ZINC000167718759 343605554 /nfs/dbraw/zinc/60/55/54/343605554.db2.gz NUFLRBBQCSTLRC-UHFFFAOYSA-N 1 0 248.289 2.761 10 30 BFEERO O=CC1(C[NH+]2CCCCCC2)CCCC1 ZINC000051175460 346975213 /nfs/dbraw/zinc/97/52/13/346975213.db2.gz ZBQCDBKKMSKAIV-UHFFFAOYSA-N 1 0 209.333 2.622 10 30 BFEERO CC[C@](C)([NH3+])C#Cc1cccc(Cl)c1 ZINC000306680988 343873326 /nfs/dbraw/zinc/87/33/26/343873326.db2.gz MQIHXSFYFFKRIK-LBPRGKRZSA-N 1 0 207.704 2.819 10 30 BFEERO C=C[C@@H]([NH3+])c1cc(Br)oc1C ZINC000307652022 343952062 /nfs/dbraw/zinc/95/20/62/343952062.db2.gz SHTWRHCNNROWDV-SSDOTTSWSA-N 1 0 216.078 2.536 10 30 BFEERO C=C(CC)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000313535287 344099449 /nfs/dbraw/zinc/09/94/49/344099449.db2.gz LKLVKJHXJFPKML-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(CC)CN1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000313535882 344099917 /nfs/dbraw/zinc/09/99/17/344099917.db2.gz LKLVKJHXJFPKML-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)C[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000129132959 344210385 /nfs/dbraw/zinc/21/03/85/344210385.db2.gz ZZOSMVWIAFAMQM-QWHCGFSZSA-N 1 0 219.332 2.533 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(Br)cc1F ZINC000166101232 344505900 /nfs/dbraw/zinc/50/59/00/344505900.db2.gz GBTVLZXUMXWMLR-JTQLQIEISA-N 1 0 242.091 2.611 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CCSCC1 ZINC000220722236 344573269 /nfs/dbraw/zinc/57/32/69/344573269.db2.gz RFCODXMIHVGMMW-CMPLNLGQSA-N 1 0 224.373 2.554 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000235425267 344909469 /nfs/dbraw/zinc/90/94/69/344909469.db2.gz DTSACIHPNSQNHZ-JXUBOQSCSA-N 1 0 217.403 2.515 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1CCCO ZINC000087607126 534983192 /nfs/dbraw/zinc/98/31/92/534983192.db2.gz SNAABIUSUUYZPC-CYBMUJFWSA-N 1 0 238.375 2.553 10 30 BFEERO C=C[C@H]([NH3+])c1c(C)cccc1Br ZINC000238498851 345064156 /nfs/dbraw/zinc/06/41/56/345064156.db2.gz PNTXRHWJTCJMCM-VIFPVBQESA-N 1 0 226.117 2.943 10 30 BFEERO CC(C)(C#N)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000087595470 534987654 /nfs/dbraw/zinc/98/76/54/534987654.db2.gz PPMJTOZHOAMQLF-STQMWFEESA-N 1 0 236.359 2.570 10 30 BFEERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1C#N ZINC000252203020 345803524 /nfs/dbraw/zinc/80/35/24/345803524.db2.gz UMZHCPQSLYXVFO-NDBYEHHHSA-N 1 0 206.333 2.847 10 30 BFEERO Cc1cccc(CC/C(NC2CCCC2)=[NH+]\N)c1 ZINC000060393225 179053358 /nfs/dbraw/zinc/05/33/58/179053358.db2.gz RCBYMJQRTZKGKD-UHFFFAOYSA-N 1 0 245.370 2.732 10 30 BFEERO Cc1cccc([C@H](C[NH3+])N(CCC#N)C(C)C)c1 ZINC000042967558 179199236 /nfs/dbraw/zinc/19/92/36/179199236.db2.gz SNJUTABUAICRJY-HNNXBMFYSA-N 1 0 245.370 2.619 10 30 BFEERO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@@H]2C#N)n1 ZINC000595690030 348315616 /nfs/dbraw/zinc/31/56/16/348315616.db2.gz ORQWJNOHRXSGFC-UKRRQHHQSA-N 1 0 243.354 2.605 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CC1=CCCC1 ZINC000595689645 348315736 /nfs/dbraw/zinc/31/57/36/348315736.db2.gz NGBLWAHVPHWTRP-STQMWFEESA-N 1 0 204.317 2.769 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1=CCCC1 ZINC000595689642 348315858 /nfs/dbraw/zinc/31/58/58/348315858.db2.gz NGBLWAHVPHWTRP-CHWSQXEVSA-N 1 0 204.317 2.769 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1=CCCC1 ZINC000595689644 348315888 /nfs/dbraw/zinc/31/58/88/348315888.db2.gz NGBLWAHVPHWTRP-QWHCGFSZSA-N 1 0 204.317 2.769 10 30 BFEERO C[C@@]1(C#N)CC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000595841346 348376359 /nfs/dbraw/zinc/37/63/59/348376359.db2.gz KMIVYQVOMNIQQM-HIFRSBDPSA-N 1 0 226.323 2.562 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000597084139 348655010 /nfs/dbraw/zinc/65/50/10/348655010.db2.gz XNEQBVQOTRKSDE-QJPTWQEYSA-N 1 0 224.373 2.554 10 30 BFEERO COC1CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000597196278 348673057 /nfs/dbraw/zinc/67/30/57/348673057.db2.gz CNFBKYPDZLTXAE-BLYZHGLHSA-N 1 0 236.359 2.616 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)CS1 ZINC000597197944 348673934 /nfs/dbraw/zinc/67/39/34/348673934.db2.gz ZXBYCHMIACQIKT-MROQNXINSA-N 1 0 238.400 2.942 10 30 BFEERO N#CCCCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019280679 187417502 /nfs/dbraw/zinc/41/75/02/187417502.db2.gz ADDHGUCKCHYDBU-UHFFFAOYSA-N 1 0 242.322 2.746 10 30 BFEERO CCCCCCCCCC(=O)OCC[NH3+] ZINC000084708951 187434613 /nfs/dbraw/zinc/43/46/13/187434613.db2.gz PESNDQQWLWAXDE-UHFFFAOYSA-N 1 0 215.337 2.629 10 30 BFEERO SC[C@@H]1CC[C@]2(CC[N@@H+](C3CC3)C2)C1 ZINC000100283267 191062627 /nfs/dbraw/zinc/06/26/27/191062627.db2.gz OZSWRYNVDJFEQS-PWSUYJOCSA-N 1 0 211.374 2.571 10 30 BFEERO SC[C@@H]1CC[C@@]2(CC[N@@H+](C3CC3)C2)C1 ZINC000100283261 191062734 /nfs/dbraw/zinc/06/27/34/191062734.db2.gz OZSWRYNVDJFEQS-ZYHUDNBSSA-N 1 0 211.374 2.571 10 30 BFEERO C=CCC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000384094302 350191610 /nfs/dbraw/zinc/19/16/10/350191610.db2.gz ZMHASMJDCKCWAU-JHJVBQTASA-N 1 0 237.387 2.992 10 30 BFEERO C[C@H]1COC[C@H](C)[NH+]1CCCCC(C)(C)C#N ZINC000336708260 350460428 /nfs/dbraw/zinc/46/04/28/350460428.db2.gz QXDLELXMCIFJGT-STQMWFEESA-N 1 0 238.375 2.816 10 30 BFEERO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163178658 350504728 /nfs/dbraw/zinc/50/47/28/350504728.db2.gz JUMLNXMLZNEZII-MJBXVCDLSA-N 1 0 223.360 2.578 10 30 BFEERO CC(C)[N@@H+]1CCOCC[C@@H]1c1cccc(C#N)c1 ZINC000616598960 350696596 /nfs/dbraw/zinc/69/65/96/350696596.db2.gz MLRVXVLLEAJLRQ-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO CCNC(=[NH2+])Nc1cc(Cl)ccc1Cl ZINC000052069143 350902466 /nfs/dbraw/zinc/90/24/66/350902466.db2.gz HRUAQMPVIYZTCO-UHFFFAOYSA-N 1 0 232.114 2.549 10 30 BFEERO C[C@H]1CC[N@H+](CC2(CS)CC2)C[C@H]1C ZINC000253068265 350919038 /nfs/dbraw/zinc/91/90/38/350919038.db2.gz KQHLDGPASCXAAF-WDEREUQCSA-N 1 0 213.390 2.674 10 30 BFEERO N#Cc1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000616619897 350928559 /nfs/dbraw/zinc/92/85/59/350928559.db2.gz KKLSHORASGYUJM-ZDUSSCGKSA-N 1 0 200.285 2.763 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc(F)c(OC)c1 ZINC000128963799 350932020 /nfs/dbraw/zinc/93/20/20/350932020.db2.gz SPCQJDRHSNVFMX-NSHDSACASA-N 1 0 209.264 2.800 10 30 BFEERO C=C(Br)C[NH2+][C@H]1[C@@H]2CCCC[C@@H]21 ZINC000306747445 350934283 /nfs/dbraw/zinc/93/42/83/350934283.db2.gz KNGLABDSSFFESS-MYJAWHEDSA-N 1 0 230.149 2.673 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc(C)c(OC)c1 ZINC000129023953 350965841 /nfs/dbraw/zinc/96/58/41/350965841.db2.gz VSMZSXXBTRKCBK-LBPRGKRZSA-N 1 0 205.301 2.970 10 30 BFEERO C[C@H](CCC(F)(F)F)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000336740564 191127967 /nfs/dbraw/zinc/12/79/67/191127967.db2.gz MKVPGYCUSUVQCR-BBBLOLIVSA-N 1 0 234.265 2.999 10 30 BFEERO CN/C(=[NH+]\C)SC1CCC(C)CC1 ZINC000306792762 351040863 /nfs/dbraw/zinc/04/08/63/351040863.db2.gz ANBIRXLVSILYIB-UHFFFAOYSA-N 1 0 200.351 2.504 10 30 BFEERO C[N@@H+]1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616656373 351202188 /nfs/dbraw/zinc/20/21/88/351202188.db2.gz WLOGEHZULMWOEX-CYBMUJFWSA-N 1 0 214.312 2.758 10 30 BFEERO CC[C@](C)([NH3+])C#Cc1ccc(Cl)s1 ZINC000307201469 351603863 /nfs/dbraw/zinc/60/38/63/351603863.db2.gz CDACDSKTDRXAFK-JTQLQIEISA-N 1 0 213.733 2.880 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1cccc(OC)c1OC ZINC000163973529 352554444 /nfs/dbraw/zinc/55/44/44/352554444.db2.gz MZHYDXZXJAYSJV-NSHDSACASA-N 1 0 221.300 2.670 10 30 BFEERO CC#CC[C@@H](CCOCc1ccccc1)[NH2+]C ZINC000307557637 352649425 /nfs/dbraw/zinc/64/94/25/352649425.db2.gz BPUJVEUBUVFWMS-HNNXBMFYSA-N 1 0 231.339 2.595 10 30 BFEERO C=C(Br)C[NH2+][C@H]1C=CCCC1 ZINC000232454842 352680483 /nfs/dbraw/zinc/68/04/83/352680483.db2.gz LKZRYIZFYBCKSL-VIFPVBQESA-N 1 0 216.122 2.593 10 30 BFEERO C=C[C@@H](C)Oc1c(C)cc(C[NH3+])cc1C ZINC000052140845 188157520 /nfs/dbraw/zinc/15/75/20/188157520.db2.gz IDUSOXVNSIGHFZ-LLVKDONJSA-N 1 0 205.301 2.715 10 30 BFEERO C=C[C@@H](C)Oc1ccc(C)cc1[C@H](C)[NH3+] ZINC000052141602 188157840 /nfs/dbraw/zinc/15/78/40/188157840.db2.gz QSEOIECFEXYMDA-MNOVXSKESA-N 1 0 205.301 2.968 10 30 BFEERO C=CC[C@@H]([NH3+])[C@H]1CSc2ccccc21 ZINC000160712842 353268218 /nfs/dbraw/zinc/26/82/18/353268218.db2.gz MLLHHDHVOYNWPF-WDEREUQCSA-N 1 0 205.326 2.779 10 30 BFEERO C[C@@H]1SCC[N@H+](CC2(CS)CC2)[C@H]1C ZINC000132795910 353389991 /nfs/dbraw/zinc/38/99/91/353389991.db2.gz DSDNHAQOQJYFHE-UWVGGRQHSA-N 1 0 231.430 2.522 10 30 BFEERO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000309100010 538117596 /nfs/dbraw/zinc/11/75/96/538117596.db2.gz GHOYKKGZEFOZAF-QWHCGFSZSA-N 1 0 211.349 2.747 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000054827428 181058261 /nfs/dbraw/zinc/05/82/61/181058261.db2.gz VMJZVOHHSHGWQF-ZFWWWQNUSA-N 1 0 244.338 2.737 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1 ZINC000054822949 181058610 /nfs/dbraw/zinc/05/86/10/181058610.db2.gz GPTDZIUZJSGOAO-UONOGXRCSA-N 1 0 214.312 2.859 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000054826572 181058633 /nfs/dbraw/zinc/05/86/33/181058633.db2.gz XLCFFIBTYVFURY-STQMWFEESA-N 1 0 234.368 2.963 10 30 BFEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000054827394 181058920 /nfs/dbraw/zinc/05/89/20/181058920.db2.gz RVEPEQFURKOCMJ-IHRRRGAJSA-N 1 0 236.359 2.618 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCC1CCCC1 ZINC000054825606 181068697 /nfs/dbraw/zinc/06/86/97/181068697.db2.gz QOQGAXWZFDDCPN-OLZOCXBDSA-N 1 0 206.333 2.849 10 30 BFEERO N#Cc1ccc(-c2ccc(F)c(C[NH3+])c2)s1 ZINC000050266933 181095548 /nfs/dbraw/zinc/09/55/48/181095548.db2.gz YLQBZHMAGCELQS-UHFFFAOYSA-N 1 0 232.283 2.885 10 30 BFEERO C[C@H]1CC[N@H+](CC2(C#N)CCC2)CCS1 ZINC000334619449 354307751 /nfs/dbraw/zinc/30/77/51/354307751.db2.gz KPXFGPBXWWCPRP-NSHDSACASA-N 1 0 224.373 2.508 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000093211568 181112098 /nfs/dbraw/zinc/11/20/98/181112098.db2.gz LFTSFLILLSOORD-NWDGAFQWSA-N 1 0 249.745 2.893 10 30 BFEERO N#Cc1ccc(N[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063214739 181124390 /nfs/dbraw/zinc/12/43/90/181124390.db2.gz NSYIZPVKUDJVIX-ZIAGYGMSSA-N 1 0 229.327 2.630 10 30 BFEERO N#Cc1cccc(-c2ccccc2C[NH3+])c1 ZINC000005764199 181133636 /nfs/dbraw/zinc/13/36/36/181133636.db2.gz OLHVBPYDQAFMDL-UHFFFAOYSA-N 1 0 208.264 2.684 10 30 BFEERO C#CC[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000166428459 355422310 /nfs/dbraw/zinc/42/23/10/355422310.db2.gz NNJCEAOKSDVBNO-UONOGXRCSA-N 1 0 217.287 2.685 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C#N)[C@@H]1C ZINC000395171492 355711376 /nfs/dbraw/zinc/71/13/76/355711376.db2.gz RCDFPUFRMLHJRX-LBELIVKGSA-N 1 0 206.333 2.703 10 30 BFEERO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCCS1 ZINC000087793723 355856395 /nfs/dbraw/zinc/85/63/95/355856395.db2.gz BLMGPIMXPMUQHN-GRYCIOLGSA-N 1 0 224.373 2.554 10 30 BFEERO C#CC[C@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000168609841 356454327 /nfs/dbraw/zinc/45/43/27/356454327.db2.gz CWKHEWDYDIDYEH-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO CC1(C)CC[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)C1 ZINC000087771736 535327546 /nfs/dbraw/zinc/32/75/46/535327546.db2.gz ITFAPHQBYSIWLZ-WOPDTQHZSA-N 1 0 206.333 2.847 10 30 BFEERO C=C(C)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114201593 134161554 /nfs/dbraw/zinc/16/15/54/134161554.db2.gz WCOUHUFQKPMQQV-GFCCVEGCSA-N 1 0 205.305 2.513 10 30 BFEERO C#C[C@H]([NH3+])c1cccc(Br)c1Cl ZINC000130052425 357164007 /nfs/dbraw/zinc/16/40/07/357164007.db2.gz AHXPFCQESPYECV-QMMMGPOBSA-N 1 0 244.519 2.736 10 30 BFEERO C#C[C@H]([NH3+])c1cc(Br)ccc1Cl ZINC000130079057 357177379 /nfs/dbraw/zinc/17/73/79/357177379.db2.gz DQXQHFQUWIOQNA-VIFPVBQESA-N 1 0 244.519 2.736 10 30 BFEERO C#C[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000130080077 357177638 /nfs/dbraw/zinc/17/76/38/357177638.db2.gz WFQUBGUBTOFUFJ-MRVPVSSYSA-N 1 0 200.068 2.626 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000230686522 357550065 /nfs/dbraw/zinc/55/00/65/357550065.db2.gz UGXKOTYUZIGNRD-TZMCWYRMSA-N 1 0 239.322 2.950 10 30 BFEERO C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000235506526 357873544 /nfs/dbraw/zinc/87/35/44/357873544.db2.gz ZMFDGIPJOQQDAC-QWHCGFSZSA-N 1 0 238.375 2.864 10 30 BFEERO CC[NH2+]CCCNc1ccc(Cl)cc1C#N ZINC000052858633 358238360 /nfs/dbraw/zinc/23/83/60/358238360.db2.gz WDPTVVWOSIJJLT-UHFFFAOYSA-N 1 0 237.734 2.623 10 30 BFEERO C=CCC[NH2+]C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC000584599754 358256539 /nfs/dbraw/zinc/25/65/39/358256539.db2.gz MPXFRQSVNAWXAH-GFCCVEGCSA-N 1 0 247.338 2.509 10 30 BFEERO CC[N@@H+]1CC[C@@H]([C@@H](C#N)c2ccccc2)C1 ZINC000584633695 358317728 /nfs/dbraw/zinc/31/77/28/358317728.db2.gz HGQBYODEQKBUSF-KGLIPLIRSA-N 1 0 214.312 2.636 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cc2sccc2s1 ZINC000130169441 358568775 /nfs/dbraw/zinc/56/87/75/358568775.db2.gz UWNNNRBEVMQXFI-SSDOTTSWSA-N 1 0 207.323 2.857 10 30 BFEERO C#C[C@H]([NH2+]C)c1cc2sccc2s1 ZINC000130169218 358568884 /nfs/dbraw/zinc/56/88/84/358568884.db2.gz UWNNNRBEVMQXFI-ZETCQYMHSA-N 1 0 207.323 2.857 10 30 BFEERO C=C(C)C[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000051753402 358761558 /nfs/dbraw/zinc/76/15/58/358761558.db2.gz QPCUPRCJWBFAPU-LLVKDONJSA-N 1 0 235.327 2.931 10 30 BFEERO C=CCC[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000134927537 358811129 /nfs/dbraw/zinc/81/11/29/358811129.db2.gz LLYOAFWHEPNGGJ-MJBXVCDLSA-N 1 0 225.376 2.992 10 30 BFEERO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H]1C ZINC000052273723 358776974 /nfs/dbraw/zinc/77/69/74/358776974.db2.gz OSBZMESDABFISS-AAEUAGOBSA-N 1 0 217.312 2.749 10 30 BFEERO C=C(C)C[C@H]([NH3+])[C@H]1SCCS[C@H]1C ZINC000228281675 359663118 /nfs/dbraw/zinc/66/31/18/359663118.db2.gz UXXUGYLEOFUBRE-GUBZILKMSA-N 1 0 217.403 2.517 10 30 BFEERO C#CC[C@H]([NH3+])c1c(C)cccc1Br ZINC000306407645 359791401 /nfs/dbraw/zinc/79/14/01/359791401.db2.gz KZLHVJQOUIMELX-JTQLQIEISA-N 1 0 238.128 2.781 10 30 BFEERO C#C[C@@H](CC)Nc1cc[nH+]c(C)c1Cl ZINC000306562350 360440791 /nfs/dbraw/zinc/44/07/91/360440791.db2.gz UJOBBWAJLJIXJS-VIFPVBQESA-N 1 0 208.692 2.867 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000309528379 491150027 /nfs/dbraw/zinc/15/00/27/491150027.db2.gz CXQCPUXTGCWIMI-GWCFXTLKSA-N 1 0 239.746 2.928 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000309957831 491158941 /nfs/dbraw/zinc/15/89/41/491158941.db2.gz JLHFMUJGGCHKIV-CRWXNKLISA-N 1 0 224.392 2.517 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1cc(Br)cs1 ZINC000070599227 361582502 /nfs/dbraw/zinc/58/25/02/361582502.db2.gz JMZVNGWWCGCPHJ-MRVPVSSYSA-N 1 0 244.157 2.794 10 30 BFEERO C[C@@H]([NH3+])c1ccc(S[C@H](C)C#N)cc1 ZINC000070620957 361647878 /nfs/dbraw/zinc/64/78/78/361647878.db2.gz NUJCXNQHOJBXFS-RKDXNWHRSA-N 1 0 206.314 2.710 10 30 BFEERO C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000037165839 361711609 /nfs/dbraw/zinc/71/16/09/361711609.db2.gz JJLOOABQFBGZMW-CQDKDKBSSA-N 1 0 244.338 2.512 10 30 BFEERO C#CCOc1ccc(Cl)cc1C[NH2+]CCC ZINC000037703504 363895600 /nfs/dbraw/zinc/89/56/00/363895600.db2.gz PLDVKQRETYYZLT-UHFFFAOYSA-N 1 0 237.730 2.852 10 30 BFEERO COc1ccc([C@H](C)C[NH2+]C[C@H](C)C#N)cc1 ZINC000183835756 367052079 /nfs/dbraw/zinc/05/20/79/367052079.db2.gz DWCSQXLVDWLTQK-VXGBXAGGSA-N 1 0 232.327 2.548 10 30 BFEERO N#CCCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000082309078 368670847 /nfs/dbraw/zinc/67/08/47/368670847.db2.gz WPTILEUHCREHRZ-UHFFFAOYSA-N 1 0 244.338 2.965 10 30 BFEERO CC[C@@H](CC#N)[NH2+]C[C@H]1Cc2ccccc21 ZINC000085578203 368867182 /nfs/dbraw/zinc/86/71/82/368867182.db2.gz XNEFNMBZXMOARS-OLZOCXBDSA-N 1 0 214.312 2.608 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000130953823 370469691 /nfs/dbraw/zinc/46/96/91/370469691.db2.gz VRSDNFHIKGBRMN-ZDUSSCGKSA-N 1 0 221.300 2.670 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000130957501 370474882 /nfs/dbraw/zinc/47/48/82/370474882.db2.gz NQIINHFBYBSTOL-LLVKDONJSA-N 1 0 209.264 2.800 10 30 BFEERO C=C(C)[C@H]([NH2+]C)c1ccc(Br)o1 ZINC000131339157 371591769 /nfs/dbraw/zinc/59/17/69/371591769.db2.gz WWPZDKYHGVDSJD-VIFPVBQESA-N 1 0 230.105 2.879 10 30 BFEERO C=C(C)[C@@H]([NH3+])c1ccc(Br)o1 ZINC000131406182 371601231 /nfs/dbraw/zinc/60/12/31/371601231.db2.gz DDSQQMKFKLBOBB-MRVPVSSYSA-N 1 0 216.078 2.618 10 30 BFEERO [NH3+]CC#Cc1c(Cl)cc(Cl)cc1Cl ZINC000162243242 371637901 /nfs/dbraw/zinc/63/79/01/371637901.db2.gz KBJMSYJJHOPZEY-UHFFFAOYSA-N 1 0 234.513 2.957 10 30 BFEERO C#C[C@@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000229529179 372160657 /nfs/dbraw/zinc/16/06/57/372160657.db2.gz MXSZYCSMYCFVLL-MWLCHTKSSA-N 1 0 205.326 2.737 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229650364 372177442 /nfs/dbraw/zinc/17/74/42/372177442.db2.gz WHLXJOIHYGHSCJ-KBPBESRZSA-N 1 0 239.322 2.950 10 30 BFEERO CCC[N@H+](CCCC#N)Cc1ccc(N)cc1 ZINC000035364840 169154127 /nfs/dbraw/zinc/15/41/27/169154127.db2.gz MSAVRYLJTWOZED-UHFFFAOYSA-N 1 0 231.343 2.785 10 30 BFEERO CCC[NH2+][C@H](C)c1ccc(F)cc1OCC#N ZINC000062747379 169287322 /nfs/dbraw/zinc/28/73/22/169287322.db2.gz WFCKUPRANXGWAW-SNVBAGLBSA-N 1 0 236.290 2.789 10 30 BFEERO CCC[NH2+]Cc1c(C)nn(CCCCC#N)c1C ZINC000049578969 169265402 /nfs/dbraw/zinc/26/54/02/169265402.db2.gz ZVVFTCFWSRSGBH-UHFFFAOYSA-N 1 0 248.374 2.693 10 30 BFEERO CCC[NH2+][C@@H](C)c1ccc(F)cc1OCC#N ZINC000062747378 169276079 /nfs/dbraw/zinc/27/60/79/169276079.db2.gz WFCKUPRANXGWAW-JTQLQIEISA-N 1 0 236.290 2.789 10 30 BFEERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@@H](C)C#N ZINC000062799877 169292361 /nfs/dbraw/zinc/29/23/61/169292361.db2.gz JXNXYPBVFNQVON-FZMZJTMJSA-N 1 0 244.338 2.964 10 30 BFEERO O=C1c2ccccc2C[N+](=O)C12CCCCC2 ZINC000001893721 383941415 /nfs/dbraw/zinc/94/14/15/383941415.db2.gz HECGQJCOUCGIMN-UHFFFAOYSA-N 1 0 229.279 2.515 10 30 BFEERO CC[N@H+](CCC#N)C[C@H]1Cc2ccccc21 ZINC000090976989 384084699 /nfs/dbraw/zinc/08/46/99/384084699.db2.gz QDMCQEBJFDRKFM-CYBMUJFWSA-N 1 0 214.312 2.562 10 30 BFEERO C[C@@H](CC#N)[N@H+](C)C[C@@H]1Cc2ccccc21 ZINC000090977010 384087344 /nfs/dbraw/zinc/08/73/44/384087344.db2.gz QNYNLXQHYHPQGP-AAEUAGOBSA-N 1 0 214.312 2.560 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000165044101 384373086 /nfs/dbraw/zinc/37/30/86/384373086.db2.gz SWFFCIIAGGUZRY-KGLIPLIRSA-N 1 0 214.312 2.836 10 30 BFEERO C=CCCCCC[N@H+]1CCC[C@@H]1CCCO ZINC000236498887 384503814 /nfs/dbraw/zinc/50/38/14/384503814.db2.gz PBSDTJASPGSVJP-CQSZACIVSA-N 1 0 225.376 2.970 10 30 BFEERO C=CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721057 384613607 /nfs/dbraw/zinc/61/36/07/384613607.db2.gz JEQQAOCXMSTHOP-GFCCVEGCSA-N 1 0 220.272 2.822 10 30 BFEERO CC1(C)CCC[N@H+](CC2(C#N)CCC2)C1 ZINC000336201898 384749594 /nfs/dbraw/zinc/74/95/94/384749594.db2.gz ONTGCIQLDBYZLD-UHFFFAOYSA-N 1 0 206.333 2.802 10 30 BFEERO CC[C@H](C[NH2+]CCS)c1cccc(OC)c1 ZINC000146952073 384825018 /nfs/dbraw/zinc/82/50/18/384825018.db2.gz XHKZKRLKIOQTMV-LLVKDONJSA-N 1 0 239.384 2.708 10 30 BFEERO CCCCCCCCCCCC(=O)[C@H](N)C[NH3+] ZINC000059786788 385055643 /nfs/dbraw/zinc/05/56/43/385055643.db2.gz JESAYQYBBWNZRF-CYBMUJFWSA-N 1 0 242.407 2.762 10 30 BFEERO C=CC[N@@H+](Cc1cccc(N)c1)CC1CC1 ZINC000238628098 385260950 /nfs/dbraw/zinc/26/09/50/385260950.db2.gz ZTSYKKUUZQMTHG-UHFFFAOYSA-N 1 0 216.328 2.667 10 30 BFEERO C=CC[C@H](CO)C[NH2+][C@H](CC)C(C)(C)C ZINC000309092249 385413866 /nfs/dbraw/zinc/41/38/66/385413866.db2.gz CMZYXCUUWWKJGT-NWDGAFQWSA-N 1 0 213.365 2.585 10 30 BFEERO C[C@H](CS)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000156702987 385465233 /nfs/dbraw/zinc/46/52/33/385465233.db2.gz WFLUZPBBFVXYGP-GARJFASQSA-N 1 0 201.379 2.815 10 30 BFEERO CC(C)[NH2+]CC#Cc1ccsc1Cl ZINC000575538498 385932546 /nfs/dbraw/zinc/93/25/46/385932546.db2.gz NIBNTFOEYDQWCX-UHFFFAOYSA-N 1 0 213.733 2.751 10 30 BFEERO C=C(C)COCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309704929 134479976 /nfs/dbraw/zinc/47/99/76/134479976.db2.gz UYBBXUMRKWYJQS-OLZOCXBDSA-N 1 0 229.339 2.697 10 30 BFEERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000322534238 386417134 /nfs/dbraw/zinc/41/71/34/386417134.db2.gz NDWLFWQRZCIXOO-AGIUHOORSA-N 1 0 206.333 2.847 10 30 BFEERO C=CCOc1ccc2cc(C(N)=[NH2+])sc2c1 ZINC000095080380 386472126 /nfs/dbraw/zinc/47/21/26/386472126.db2.gz DMULKANRCSXSBR-UHFFFAOYSA-N 1 0 232.308 2.750 10 30 BFEERO C=CC(=O)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000575359148 386760412 /nfs/dbraw/zinc/76/04/12/386760412.db2.gz SJNDBVHBPUSGPK-UHFFFAOYSA-N 1 0 245.322 2.530 10 30 BFEERO C=CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000395359818 386820620 /nfs/dbraw/zinc/82/06/20/386820620.db2.gz AZCDRKVCVMSOQY-QJPTWQEYSA-N 1 0 223.360 2.602 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000575439269 387120888 /nfs/dbraw/zinc/12/08/88/387120888.db2.gz QPFDEVINSRQMTB-NSHDSACASA-N 1 0 227.254 2.939 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000052270725 387465183 /nfs/dbraw/zinc/46/51/83/387465183.db2.gz WBMAUOCYQBNAAO-GBIKHYSHSA-N 1 0 200.285 2.617 10 30 BFEERO CC#CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000161990782 387757435 /nfs/dbraw/zinc/75/74/35/387757435.db2.gz ILVHAOJQRZFGDP-ZDUSSCGKSA-N 1 0 201.313 2.977 10 30 BFEERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000054824260 387830087 /nfs/dbraw/zinc/83/00/87/387830087.db2.gz DLSSNFAFXPWEIT-KBPBESRZSA-N 1 0 214.312 2.777 10 30 BFEERO N#CCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000020199499 387848035 /nfs/dbraw/zinc/84/80/35/387848035.db2.gz XCQBBTZVQJOKBD-AWEZNQCLSA-N 1 0 214.312 2.957 10 30 BFEERO C#CC[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195383010 387914501 /nfs/dbraw/zinc/91/45/01/387914501.db2.gz IHYDDUVPHSUCEV-LLVKDONJSA-N 1 0 234.368 2.518 10 30 BFEERO C=C(C[NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000324477090 388120965 /nfs/dbraw/zinc/12/09/65/388120965.db2.gz IBVDFVSIAVVBEP-CQSZACIVSA-N 1 0 233.355 2.696 10 30 BFEERO C=C(C[NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000324477089 388121209 /nfs/dbraw/zinc/12/12/09/388121209.db2.gz IBVDFVSIAVVBEP-AWEZNQCLSA-N 1 0 233.355 2.696 10 30 BFEERO N#Cc1ccc(Cl)cc1N1CCCC[C@H]1C[NH3+] ZINC000062785840 132388576 /nfs/dbraw/zinc/38/85/76/132388576.db2.gz HQVQBKIPUXEIHW-LBPRGKRZSA-N 1 0 249.745 2.529 10 30 BFEERO C#CCCOc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000113335653 134161398 /nfs/dbraw/zinc/16/13/98/134161398.db2.gz GITADXJVTGHLTR-IUODEOHRSA-N 1 0 229.323 2.587 10 30 BFEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000248744440 135020127 /nfs/dbraw/zinc/02/01/27/135020127.db2.gz ATPZQFLSANWEMQ-MBNYWOFBSA-N 1 0 242.322 2.792 10 30 BFEERO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000248744443 135020767 /nfs/dbraw/zinc/02/07/67/135020767.db2.gz ATPZQFLSANWEMQ-YRGRVCCFSA-N 1 0 242.322 2.792 10 30 BFEERO C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253090607 135120234 /nfs/dbraw/zinc/12/02/34/135120234.db2.gz IIIRPEQMQQYUAS-KFWWJZLASA-N 1 0 237.387 2.968 10 30 BFEERO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253626119 135127402 /nfs/dbraw/zinc/12/74/02/135127402.db2.gz XKNOGIJWSCEVGY-RRFJBIMHSA-N 1 0 237.387 2.968 10 30 BFEERO CN(C(=[NH2+])NC[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000263210614 135340459 /nfs/dbraw/zinc/34/04/59/135340459.db2.gz YZUZZQOQZIMTMZ-JSGCOSHPSA-N 1 0 249.402 2.612 10 30 BFEERO [NH2+]=C(N[C@@H]1CCC12CCCC2)NC1CCCCC1 ZINC000263281603 135344172 /nfs/dbraw/zinc/34/41/72/135344172.db2.gz SBMORPWSXCVCFZ-CYBMUJFWSA-N 1 0 249.402 2.946 10 30 BFEERO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c1 ZINC000334415870 135394459 /nfs/dbraw/zinc/39/44/59/135394459.db2.gz PWICRYXDUIYDSD-KBPBESRZSA-N 1 0 212.296 2.543 10 30 BFEERO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182599776 397826242 /nfs/dbraw/zinc/82/62/42/397826242.db2.gz ZWURNQQDOVKBPX-NWDGAFQWSA-N 1 0 223.316 2.566 10 30 BFEERO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2C#N)O1 ZINC000595693584 397994697 /nfs/dbraw/zinc/99/46/97/397994697.db2.gz IYRXXEHDWVFFRT-YNEHKIRRSA-N 1 0 236.359 2.616 10 30 BFEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C#N)s1 ZINC000054828688 398012471 /nfs/dbraw/zinc/01/24/71/398012471.db2.gz UBJLINGVUKXOTL-ZYHUDNBSSA-N 1 0 220.341 2.838 10 30 BFEERO COCCCCCCCCC[NH2+]CCS ZINC000204954296 174174832 /nfs/dbraw/zinc/17/48/32/174174832.db2.gz JPCRJWZGWRIDIW-UHFFFAOYSA-N 1 0 233.421 2.883 10 30 BFEERO CC(C)N[C@H](C#N)CCO[C@H]1CCC[C@@H](C)C1 ZINC000062441496 167137351 /nfs/dbraw/zinc/13/73/51/167137351.db2.gz OXPRURQALMQZFW-RDBSUJKOSA-N 1 0 238.375 2.862 10 30 BFEERO C#CCCOc1cccc(C[NH2+]C(C)(C)C)c1 ZINC000062731326 166150285 /nfs/dbraw/zinc/15/02/85/166150285.db2.gz ZAIREWDZFXXFOC-UHFFFAOYSA-N 1 0 231.339 2.977 10 30 BFEERO C#CCC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000069768018 166149110 /nfs/dbraw/zinc/14/91/10/166149110.db2.gz UGAWMYJAHYWTBT-CYBMUJFWSA-N 1 0 201.313 2.977 10 30 BFEERO C#CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000019875464 166191186 /nfs/dbraw/zinc/19/11/86/166191186.db2.gz SFXDANCDNQYEPY-NSHDSACASA-N 1 0 225.291 2.829 10 30 BFEERO C#CC[NH2+][C@H](C)Cc1ccc(SC)cc1 ZINC000049014840 166192747 /nfs/dbraw/zinc/19/27/47/166192747.db2.gz UPHGABWYFBVICE-LLVKDONJSA-N 1 0 219.353 2.562 10 30 in-vivo BFEERO C#CCOc1ccccc1C[NH2+]C(C)(C)C ZINC000020084176 166200505 /nfs/dbraw/zinc/20/05/05/166200505.db2.gz LQVVRJCPYNFKFW-UHFFFAOYSA-N 1 0 217.312 2.587 10 30 BFEERO C=CCN(CC=C)C[C@@](C)([NH3+])c1ccccc1 ZINC000035619382 166334221 /nfs/dbraw/zinc/33/42/21/166334221.db2.gz RVWRNOSHTKHPRK-OAHLLOKOSA-N 1 0 230.355 2.535 10 30 BFEERO C=CCN(CC=C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000019871894 166337704 /nfs/dbraw/zinc/33/77/04/166337704.db2.gz MLJSMFWHAYUQTP-GFCCVEGCSA-N 1 0 216.328 2.885 10 30 BFEERO C=CC[N@H+]1CC[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000013826519 166359224 /nfs/dbraw/zinc/35/92/24/166359224.db2.gz MHHLELSXRBTNRD-TZMCWYRMSA-N 1 0 229.323 2.682 10 30 BFEERO C=CC[N@H+]1CC[C@H]2c3c(O)cccc3CC[C@H]21 ZINC000013826509 166359428 /nfs/dbraw/zinc/35/94/28/166359428.db2.gz NLAWPJROLJRPAW-CHWSQXEVSA-N 1 0 229.323 2.682 10 30 BFEERO C=CC[N@@H+]1Cc2ccc(N)cc2[C@@H](CC)C1 ZINC000038302217 166362050 /nfs/dbraw/zinc/36/20/50/166362050.db2.gz ZUBARGWJWRMALM-NSHDSACASA-N 1 0 216.328 2.764 10 30 BFEERO C=CC[NH2+]C1CC(c2ccccc2F)C1 ZINC000036840810 166396610 /nfs/dbraw/zinc/39/66/10/166396610.db2.gz FGGSVJBPCDHYFT-UHFFFAOYSA-N 1 0 205.276 2.847 10 30 BFEERO C=CC[NH2+]CC[C@@H](O)c1cc(C)ccc1C ZINC000049817433 166398757 /nfs/dbraw/zinc/39/87/57/166398757.db2.gz XQGDVHHKUQHQBV-CQSZACIVSA-N 1 0 219.328 2.503 10 30 BFEERO C=CC[NH2+]CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000095081785 166399945 /nfs/dbraw/zinc/39/99/45/166399945.db2.gz LKAWKWWKSRNFHU-UHFFFAOYSA-N 1 0 246.354 2.698 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229255118 411189920 /nfs/dbraw/zinc/18/99/20/411189920.db2.gz PLUDIHOEEULVIV-QWHCGFSZSA-N 1 0 238.400 2.802 10 30 BFEERO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(CC)C1 ZINC000658033805 411209096 /nfs/dbraw/zinc/20/90/96/411209096.db2.gz DEEIZTPGWODPQJ-RBSFLKMASA-N 1 0 236.403 2.805 10 30 BFEERO CC1CC[NH+](C[C@](C)(C=O)c2ccccc2)CC1 ZINC000051175234 168183302 /nfs/dbraw/zinc/18/33/02/168183302.db2.gz MONDKHTXYJMICO-MRXNPFEDSA-N 1 0 245.366 2.875 10 30 BFEERO CCC(C)(C)OCc1cccc(C#CC[NH3+])c1 ZINC000049610955 168303736 /nfs/dbraw/zinc/30/37/36/168303736.db2.gz MOWGKRPVNZNYTH-UHFFFAOYSA-N 1 0 231.339 2.702 10 30 BFEERO CC[NH2+]Cc1cc(C)ccc1O[C@H](C#N)CC ZINC000071403816 170125767 /nfs/dbraw/zinc/12/57/67/170125767.db2.gz XJQFOWKDTCJTTM-ZDUSSCGKSA-N 1 0 232.327 2.786 10 30 BFEERO CC[NH2+]Cc1ccc(OCCCCC#N)cc1 ZINC000049578212 170127444 /nfs/dbraw/zinc/12/74/44/170127444.db2.gz IZVLDHOBPILVLG-UHFFFAOYSA-N 1 0 232.327 2.869 10 30 BFEERO CC[NH2+][C@@H](C)c1ccc(N(C)CCC#N)cc1 ZINC000034840059 170141683 /nfs/dbraw/zinc/14/16/83/170141683.db2.gz FMWZFEQLIGZQKJ-LBPRGKRZSA-N 1 0 231.343 2.707 10 30 BFEERO CCOCC[N@H+](CC)[C@H]1CCCCC[C@@H]1C#N ZINC000104193189 170396175 /nfs/dbraw/zinc/39/61/75/170396175.db2.gz ICFFEOBRFVEOKS-KGLIPLIRSA-N 1 0 238.375 2.817 10 30 BFEERO CC[C@H](C)[N@H+](CC)Cc1ccc(C#CCO)cc1 ZINC000049617597 171311995 /nfs/dbraw/zinc/31/19/95/171311995.db2.gz VJZGVUKGEJBLAQ-AWEZNQCLSA-N 1 0 245.366 2.651 10 30 BFEERO CC[C@H](C)[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000048069077 171315270 /nfs/dbraw/zinc/31/52/70/171315270.db2.gz NCWUWSADLOCRAJ-ZDUSSCGKSA-N 1 0 246.354 2.805 10 30 BFEERO C[N@@H+]1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000075907074 173006441 /nfs/dbraw/zinc/00/64/41/173006441.db2.gz RARNTBUXWFZAGD-CYBMUJFWSA-N 1 0 200.285 2.715 10 30 BFEERO C[N@@H+]1CCC[C@H]1CCOc1ccc(F)cc1C#N ZINC000104235402 173053641 /nfs/dbraw/zinc/05/36/41/173053641.db2.gz GPHRCINADAOCMT-ZDUSSCGKSA-N 1 0 248.301 2.560 10 30 BFEERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](/N=C\c1ccccc1)C2 ZINC000100243811 173206198 /nfs/dbraw/zinc/20/61/98/173206198.db2.gz AFIQCOMVQVIRPE-VXYPYEODSA-N 1 0 228.339 2.731 10 30 BFEERO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](/N=C\c1ccccc1)C2 ZINC000100243815 173206515 /nfs/dbraw/zinc/20/65/15/173206515.db2.gz AFIQCOMVQVIRPE-GTYPQZOUSA-N 1 0 228.339 2.731 10 30 BFEERO COc1ccc(CSC(C)C)cc1C#CC[NH3+] ZINC000049612830 175114381 /nfs/dbraw/zinc/11/43/81/175114381.db2.gz BLSSNKPJPNVJAJ-UHFFFAOYSA-N 1 0 249.379 2.647 10 30 BFEERO C[C@@H](CCCC[NH3+])Nc1ccc(C#N)cc1F ZINC000336726423 175664069 /nfs/dbraw/zinc/66/40/69/175664069.db2.gz VOPNPSPMQGSLST-JTQLQIEISA-N 1 0 235.306 2.627 10 30 BFEERO C=CC(C)(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000527927940 262895591 /nfs/dbraw/zinc/89/55/91/262895591.db2.gz SAKDZCUTAZFNTL-YNEHKIRRSA-N 1 0 237.387 2.992 10 30 BFEERO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253095027 534437900 /nfs/dbraw/zinc/43/79/00/534437900.db2.gz OHQVOQFBVRAUKQ-JHJVBQTASA-N 1 0 243.778 2.754 10 30 BFEERO C=CCCCCCC[NH2+]Cc1cnn(C)c1C ZINC000289969270 534672664 /nfs/dbraw/zinc/67/26/64/534672664.db2.gz DASFMFPINGCENO-UHFFFAOYSA-N 1 0 235.375 2.955 10 30 BFEERO CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000301014360 528461830 /nfs/dbraw/zinc/46/18/30/528461830.db2.gz ZILJLVIYPNSCQA-YNEHKIRRSA-N 1 0 208.349 2.950 10 30 BFEERO C=C(C[NH2+]C)CSCc1occc1C ZINC000757167778 582548965 /nfs/dbraw/zinc/54/89/65/582548965.db2.gz XVRYAVDGRDZHSW-UHFFFAOYSA-N 1 0 211.330 2.597 10 30 BFEERO C=C(C[NH2+]C)CSCc1ccc(Cl)o1 ZINC000757168940 582550020 /nfs/dbraw/zinc/55/00/20/582550020.db2.gz DQVRBRJZJHKPNR-UHFFFAOYSA-N 1 0 231.748 2.942 10 30 BFEERO CC#CC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134656712 591944708 /nfs/dbraw/zinc/94/47/08/591944708.db2.gz UNFPKFQAGXTGEL-UHFFFAOYSA-N 1 0 207.704 2.761 10 30 BFEERO C#C[C@H]([NH2+][C@@H]1CCc2ccccc21)C(C)C ZINC000301016363 592526489 /nfs/dbraw/zinc/52/64/89/592526489.db2.gz ZRXZLORPDQCMAC-LSDHHAIUSA-N 1 0 213.324 2.921 10 30 BFEERO C#C[C@H]([NH2+][C@H]1CCc2ccccc21)C(C)C ZINC000301016361 592527398 /nfs/dbraw/zinc/52/73/98/592527398.db2.gz ZRXZLORPDQCMAC-GJZGRUSLSA-N 1 0 213.324 2.921 10 30 BFEERO Cc1ccccc1[C@H](C)[NH2+]CCO[C@H](C)C#N ZINC000302386468 592547703 /nfs/dbraw/zinc/54/77/03/592547703.db2.gz MPHHZZJVPURUIT-OLZOCXBDSA-N 1 0 232.327 2.574 10 30 BFEERO C#CCC[NH2+]Cc1ccc(Cl)cc1C ZINC000235790129 632829990 /nfs/dbraw/zinc/82/99/90/632829990.db2.gz BWEXUXAAMKCXNP-UHFFFAOYSA-N 1 0 207.704 2.761 10 30 BFEERO C#CCC[NH2+]C[C@H](CC)c1ccccc1 ZINC000309244128 632836789 /nfs/dbraw/zinc/83/67/89/632836789.db2.gz YWBBYDLMWUMYNT-ZDUSSCGKSA-N 1 0 201.313 2.793 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000233395737 642667820 /nfs/dbraw/zinc/66/78/20/642667820.db2.gz IMPSCIMQVUNMSS-LSDHHAIUSA-N 1 0 213.324 2.816 10 30 BFEERO CCCCCCCC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170867776 642750397 /nfs/dbraw/zinc/75/03/97/642750397.db2.gz GBSHFMTZPAHPIG-CYBMUJFWSA-N 1 0 240.391 2.509 10 30 BFEERO C#CCC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000069767621 642902830 /nfs/dbraw/zinc/90/28/30/642902830.db2.gz BUDIXOJQAPYATI-UHFFFAOYSA-N 1 0 211.667 2.592 10 30 BFEERO C#CCC[NH2+]Cc1cc(Br)cs1 ZINC000070559400 643035731 /nfs/dbraw/zinc/03/57/31/643035731.db2.gz WXZBIKTWMCOADV-UHFFFAOYSA-N 1 0 244.157 2.624 10 30 BFEERO C#CCC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000087284303 644485782 /nfs/dbraw/zinc/48/57/82/644485782.db2.gz TYIWCPABVXCINY-NSHDSACASA-N 1 0 205.276 2.808 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712654722 712439981 /nfs/dbraw/zinc/43/99/81/712439981.db2.gz WWTOGZSZIQSSDU-ZOBORPQBSA-N 1 0 218.344 2.704 10 30 BFEERO N#Cc1cncc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000721521232 711617058 /nfs/dbraw/zinc/61/70/58/711617058.db2.gz GYYCBYNJALUOTM-UHFFFAOYSA-N 1 0 241.338 2.766 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722329077 711737944 /nfs/dbraw/zinc/73/79/44/711737944.db2.gz CLXIJYLPHUSWLN-AJNGGQMLSA-N 1 0 248.370 2.616 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711091367 712279675 /nfs/dbraw/zinc/27/96/75/712279675.db2.gz TXTZUQVJXCGUFB-ZUWCUPBKSA-N 1 0 218.344 2.847 10 30 BFEERO C=CC[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000715027505 712504840 /nfs/dbraw/zinc/50/48/40/712504840.db2.gz CQLIOGFCTAYBCW-BFHYXJOUSA-N 1 0 223.360 2.578 10 30 BFEERO C#CCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000380009384 712670009 /nfs/dbraw/zinc/67/00/09/712670009.db2.gz QXWOMHWUPIKHEB-STQMWFEESA-N 1 0 211.324 2.908 10 30 BFEERO CC(C)=CC(=O)CC[N+]1(C)CCCCC1 ZINC000033638140 717121482 /nfs/dbraw/zinc/12/14/82/717121482.db2.gz WSUHADKOUIZNPR-UHFFFAOYSA-N 1 0 210.341 2.542 10 30 BFEERO CC(C)(C)C#CCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960659 538907482 /nfs/dbraw/zinc/90/74/82/538907482.db2.gz XDIISKXQLUFICZ-UHFFFAOYSA-N 1 0 243.350 2.785 10 30 BFEERO C=CC(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000395359814 262786892 /nfs/dbraw/zinc/78/68/92/262786892.db2.gz AZCDRKVCVMSOQY-IJLUTSLNSA-N 1 0 223.360 2.602 10 30 BFEERO Cc1ccc(C#N)c(NCCCC[NH+](C)C)c1 ZINC000051580408 178364431 /nfs/dbraw/zinc/36/44/31/178364431.db2.gz BEHLWMPMEGDIEB-UHFFFAOYSA-N 1 0 231.343 2.620 10 30 BFEERO Cc1ccc(C#N)c(N[C@@H](C)CC[NH+](C)C)c1 ZINC000051580077 178365691 /nfs/dbraw/zinc/36/56/91/178365691.db2.gz PPGBVXNJNUFHDZ-LBPRGKRZSA-N 1 0 231.343 2.619 10 30 BFEERO CCC(CC)[N@H+](CCO)Cc1ccccc1C#N ZINC000042505206 168374459 /nfs/dbraw/zinc/37/44/59/168374459.db2.gz DXSWEAGZQSJTNS-UHFFFAOYSA-N 1 0 246.354 2.541 10 30 BFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000320465592 342734070 /nfs/dbraw/zinc/73/40/70/342734070.db2.gz FDVQPUBOBPIYGF-RKDXNWHRSA-N 1 0 237.734 2.749 10 30 BFEERO CCC[C@@H]([NH3+])C#Cc1ccc(Cl)cc1 ZINC000229902277 342854251 /nfs/dbraw/zinc/85/42/51/342854251.db2.gz HRMKLKVWCRXDMD-GFCCVEGCSA-N 1 0 207.704 2.819 10 30 BFEERO C#C[C@@H]([NH3+])c1ccccc1NC(=O)OC(C)(C)C ZINC000406852039 342878938 /nfs/dbraw/zinc/87/89/38/342878938.db2.gz CBWBNPOVTYMCDC-LLVKDONJSA-N 1 0 246.310 2.667 10 30 BFEERO CC(C)NC(=[NH2+])Cc1ccc(Cl)cc1 ZINC000059924595 342875900 /nfs/dbraw/zinc/87/59/00/342875900.db2.gz YYPHFANSBDLFAJ-UHFFFAOYSA-N 1 0 210.708 2.648 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000134740011 342880813 /nfs/dbraw/zinc/88/08/13/342880813.db2.gz TZCFIQROXMZOOW-ZDMBXUJBSA-N 1 0 218.275 2.756 10 30 BFEERO C#C[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000133155391 398323397 /nfs/dbraw/zinc/32/33/97/398323397.db2.gz LRFAVSDSTGFLGD-VIFPVBQESA-N 1 0 200.068 2.626 10 30 BFEERO N#Cc1cccc(CN2C[C@H]3CCC[C@H]32)c1F ZINC000335900227 136258743 /nfs/dbraw/zinc/25/87/43/136258743.db2.gz UMXRDHYRJQFJGR-DGCLKSJQSA-N 1 0 230.286 2.682 10 30 BFEERO C=CCCC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C12CCC2 ZINC000336767085 136276240 /nfs/dbraw/zinc/27/62/40/136276240.db2.gz PKABRXGMNPVZGP-UPJWGTAASA-N 1 0 223.360 2.746 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000226615662 343372616 /nfs/dbraw/zinc/37/26/16/343372616.db2.gz HWLDVDBMLGXAHB-APIJFGDWSA-N 1 0 226.323 2.824 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1C[C@H]1C ZINC000321870083 343620591 /nfs/dbraw/zinc/62/05/91/343620591.db2.gz HDRSBVHPYJRVSS-NAWOPXAZSA-N 1 0 206.333 2.703 10 30 BFEERO C=C(C)COCC[NH2+][C@H](CC)C(C)(C)C ZINC000379981219 365779727 /nfs/dbraw/zinc/77/97/27/365779727.db2.gz HLXOTDWGQSALCM-GFCCVEGCSA-N 1 0 213.365 2.993 10 30 BFEERO C=C(CC)CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000313540577 344101547 /nfs/dbraw/zinc/10/15/47/344101547.db2.gz RTTVIGANZNRDRS-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000129132779 344210468 /nfs/dbraw/zinc/21/04/68/344210468.db2.gz ZZOSMVWIAFAMQM-CHWSQXEVSA-N 1 0 219.332 2.533 10 30 BFEERO CC(C)=CC(=O)C1(C[NH3+])CCCCCC1 ZINC000135431068 344270479 /nfs/dbraw/zinc/27/04/79/344270479.db2.gz PHSNMWKCWMAPEF-UHFFFAOYSA-N 1 0 209.333 2.821 10 30 BFEERO C#C[C@@H]([NH3+])c1cc(Cl)cc(Br)c1 ZINC000236301533 344354223 /nfs/dbraw/zinc/35/42/23/344354223.db2.gz LUQZOVDEVZLGDR-SECBINFHSA-N 1 0 244.519 2.736 10 30 BFEERO O/N=C1/CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000102071858 344428288 /nfs/dbraw/zinc/42/82/88/344428288.db2.gz YGUBLIFXKQYDAG-FEFBVGIVSA-N 1 0 244.338 2.749 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCCCCC1 ZINC000054824809 344456635 /nfs/dbraw/zinc/45/66/35/344456635.db2.gz PMZDYLWUTPHNOA-DGCLKSJQSA-N 1 0 206.333 2.991 10 30 BFEERO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1C#N)OC ZINC000381295493 344491933 /nfs/dbraw/zinc/49/19/33/344491933.db2.gz PEEZYUMCBPTAGZ-FQUUOJAGSA-N 1 0 238.375 2.719 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220722105 344573112 /nfs/dbraw/zinc/57/31/12/344573112.db2.gz RFCODXMIHVGMMW-JQWIXIFHSA-N 1 0 224.373 2.554 10 30 BFEERO C#CCC[C@@H]([NH3+])c1sccc1Br ZINC000127962074 344694308 /nfs/dbraw/zinc/69/43/08/344694308.db2.gz WUDHSCYQVLNHOA-MRVPVSSYSA-N 1 0 244.157 2.924 10 30 BFEERO CCCCCCC[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400429992 537857006 /nfs/dbraw/zinc/85/70/06/537857006.db2.gz HHGXGSSABJLVOO-NSHDSACASA-N 1 0 221.348 2.957 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000336643289 534984514 /nfs/dbraw/zinc/98/45/14/534984514.db2.gz BYMKMKGZYVCCHE-RYUDHWBXSA-N 1 0 206.333 2.801 10 30 BFEERO C=C[C@H]([NH3+])c1cscc1Br ZINC000238605437 345090285 /nfs/dbraw/zinc/09/02/85/345090285.db2.gz IBQLJYXDKLBPQK-ZETCQYMHSA-N 1 0 218.119 2.696 10 30 BFEERO C#C[C@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000126782745 345138465 /nfs/dbraw/zinc/13/84/65/345138465.db2.gz QWRZUCPAWMXTLI-VIFPVBQESA-N 1 0 244.519 2.736 10 30 BFEERO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CC#N)C1 ZINC000034304847 345820909 /nfs/dbraw/zinc/82/09/09/345820909.db2.gz GZFXOEVEKNWDMG-OLZOCXBDSA-N 1 0 214.312 2.983 10 30 BFEERO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CC#N)C1 ZINC000034304846 345820939 /nfs/dbraw/zinc/82/09/39/345820939.db2.gz GZFXOEVEKNWDMG-STQMWFEESA-N 1 0 214.312 2.983 10 30 BFEERO CC#CC[N@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000160016023 345786929 /nfs/dbraw/zinc/78/69/29/345786929.db2.gz VRGBDMBQUVMGEM-GFCCVEGCSA-N 1 0 248.395 2.908 10 30 BFEERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1C#N ZINC000252203021 345803275 /nfs/dbraw/zinc/80/32/75/345803275.db2.gz UMZHCPQSLYXVFO-VOAKCMCISA-N 1 0 206.333 2.847 10 30 BFEERO C=CC[C@H](CO)CC[N@@H+](C)Cc1ccccc1 ZINC000034591735 345834776 /nfs/dbraw/zinc/83/47/76/345834776.db2.gz FMLVGBALFLXDAF-HNNXBMFYSA-N 1 0 233.355 2.693 10 30 BFEERO C=CC[C@H]([NH3+])c1ccoc1Br ZINC000236287172 346221443 /nfs/dbraw/zinc/22/14/43/346221443.db2.gz UFWHFPHKEYSROW-ZETCQYMHSA-N 1 0 216.078 2.618 10 30 BFEERO O=CCC[NH+]1CCC2(CCCCC2)CC1 ZINC000062542030 346278966 /nfs/dbraw/zinc/27/89/66/346278966.db2.gz JHSHGMXGVXLCMK-UHFFFAOYSA-N 1 0 209.333 2.622 10 30 BFEERO Cc1cccc(CNC(=[NH2+])c2ccccc2)c1 ZINC000062991023 179050922 /nfs/dbraw/zinc/05/09/22/179050922.db2.gz BYWOQEXNCAGLFK-UHFFFAOYSA-N 1 0 224.307 2.901 10 30 BFEERO Cc1cccc([C@H](C)NC[C@H](C)C#N)c1 ZINC000054181157 179196675 /nfs/dbraw/zinc/19/66/75/179196675.db2.gz FCQWEBLIMVHLGK-NEPJUHHUSA-N 1 0 202.301 2.805 10 30 BFEERO N#Cc1ccc(Cl)cc1NCC1([NH3+])CCCC1 ZINC000594692196 348100233 /nfs/dbraw/zinc/10/02/33/348100233.db2.gz NUYDQADTDVAZEI-UHFFFAOYSA-N 1 0 249.745 2.895 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CC1CC=CC1 ZINC000595692436 348317551 /nfs/dbraw/zinc/31/75/51/348317551.db2.gz XNZGWKKUFUIZSG-QWHCGFSZSA-N 1 0 204.317 2.625 10 30 BFEERO C#CCOc1ccc(C[NH2+][C@H](C)CC)cc1OC ZINC000045945791 187395639 /nfs/dbraw/zinc/39/56/39/187395639.db2.gz YCVAXYRCRHUXTE-GFCCVEGCSA-N 1 0 247.338 2.595 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CC1 ZINC000323904604 348635254 /nfs/dbraw/zinc/63/52/54/348635254.db2.gz RCDDRDUUWHCMOY-RWMBFGLXSA-N 1 0 206.333 2.847 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000597195250 348672543 /nfs/dbraw/zinc/67/25/43/348672543.db2.gz FJYAHATWKIWHDY-RWMBFGLXSA-N 1 0 238.400 2.944 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000597195249 348672257 /nfs/dbraw/zinc/67/22/57/348672257.db2.gz FJYAHATWKIWHDY-AVGNSLFASA-N 1 0 238.400 2.944 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC12CC2 ZINC000597197396 348673884 /nfs/dbraw/zinc/67/38/84/348673884.db2.gz XCQYVYVWZQOGKW-RWMBFGLXSA-N 1 0 218.344 2.991 10 30 BFEERO CC[N@@H+]1CCC[C@@H]1c1ccccc1C#N ZINC000616606369 350797226 /nfs/dbraw/zinc/79/72/26/350797226.db2.gz DFHYZLMSDPYKQV-CYBMUJFWSA-N 1 0 200.285 2.715 10 30 BFEERO CC[N@@H+]1CCC[C@H](c2ccccc2C#N)C1 ZINC000616617118 350862102 /nfs/dbraw/zinc/86/21/02/350862102.db2.gz HMMDZKPJRSZIIP-ZDUSSCGKSA-N 1 0 214.312 2.758 10 30 BFEERO C[C@@H](CS)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000306675618 350827936 /nfs/dbraw/zinc/82/79/36/350827936.db2.gz SXVJMFJRXIZEEK-UTUOFQBUSA-N 1 0 213.390 2.674 10 30 BFEERO C=CC[C@@H](SC)[C@@H]([NH3+])c1ccccc1 ZINC000139115633 350917056 /nfs/dbraw/zinc/91/70/56/350917056.db2.gz BQYVSAANSXOELQ-NEPJUHHUSA-N 1 0 207.342 2.994 10 30 BFEERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)C1 ZINC000128902346 350886903 /nfs/dbraw/zinc/88/69/03/350886903.db2.gz QOMVHQZRZGPMRC-FVCCEPFGSA-N 1 0 206.333 2.847 10 30 BFEERO C#Cc1cc(Cl)ccc1C[NH2+]C1CC1 ZINC000306723282 350892054 /nfs/dbraw/zinc/89/20/54/350892054.db2.gz GTBISABKKODOSZ-UHFFFAOYSA-N 1 0 205.688 2.573 10 30 BFEERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CS1 ZINC000336691055 350986723 /nfs/dbraw/zinc/98/67/23/350986723.db2.gz WRCGDPRBQTUISN-RVMXOQNASA-N 1 0 238.400 2.798 10 30 BFEERO C=CCCC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000398103604 351006443 /nfs/dbraw/zinc/00/64/43/351006443.db2.gz UOJWIGYFQMRCBD-NWDGAFQWSA-N 1 0 213.365 2.728 10 30 BFEERO N#Cc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000616623391 351089548 /nfs/dbraw/zinc/08/95/48/351089548.db2.gz YFXKFYZHJZAWQC-CYBMUJFWSA-N 1 0 200.285 2.763 10 30 BFEERO CC(C)(C)[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616645332 351167550 /nfs/dbraw/zinc/16/75/50/351167550.db2.gz PCQVOHSNLGBMDB-CQSZACIVSA-N 1 0 244.338 2.730 10 30 BFEERO CC(C)[N@@H+]1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616649865 351180367 /nfs/dbraw/zinc/18/03/67/351180367.db2.gz MJVZYXWOSAAZTC-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO CCCCCCC[C@@]1(C[NH2+]C)CCOC1 ZINC000107655518 168657790 /nfs/dbraw/zinc/65/77/90/168657790.db2.gz RCQNVWDLHQLARG-ZDUSSCGKSA-N 1 0 213.365 2.973 10 30 BFEERO C=CCCCC/C=C/C=C/C[C@H](O)[C@H](C)[NH3+] ZINC000096921963 187501717 /nfs/dbraw/zinc/50/17/17/187501717.db2.gz CBRBQXWPAPFJPP-UNJVXHDRSA-N 1 0 223.360 2.943 10 30 BFEERO C[C@@H](CCC#N)[NH2+]C1(C2CCC2)CCC1 ZINC000411821240 191213633 /nfs/dbraw/zinc/21/36/33/191213633.db2.gz NRCXLPKLDJSGPH-NSHDSACASA-N 1 0 206.333 2.991 10 30 BFEERO CCCCCC[C@@H](C#N)NCC[NH+](CC)CC ZINC000037940891 168673041 /nfs/dbraw/zinc/67/30/41/168673041.db2.gz GKUAMKGBXSYGAT-AWEZNQCLSA-N 1 0 239.407 2.780 10 30 BFEERO N#CCCCC[N@@H+](Cc1cccc(N)c1)C1CC1 ZINC000049578672 188124197 /nfs/dbraw/zinc/12/41/97/188124197.db2.gz KIXFEPTVBBBNOR-UHFFFAOYSA-N 1 0 243.354 2.927 10 30 BFEERO Cc1ccc2c(c1)CC[NH2+][C@@H]2CCS ZINC000075640810 188132870 /nfs/dbraw/zinc/13/28/70/188132870.db2.gz JBTHVIHBWQIBRP-GFCCVEGCSA-N 1 0 207.342 2.502 10 30 BFEERO C=CC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000043392120 188216652 /nfs/dbraw/zinc/21/66/52/188216652.db2.gz JFBNVFSDLDCVQA-VIFPVBQESA-N 1 0 201.191 2.680 10 30 BFEERO C=CCc1cc(OCC)ccc1OCCC[NH2+]C ZINC000053587478 188219779 /nfs/dbraw/zinc/21/97/79/188219779.db2.gz JPYIQSHFWBLLLO-UHFFFAOYSA-N 1 0 249.354 2.802 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334542135 353976964 /nfs/dbraw/zinc/97/69/64/353976964.db2.gz UOAOKKBGDCQOAT-PWSUYJOCSA-N 1 0 204.317 2.601 10 30 BFEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccccn1 ZINC000054823806 181058763 /nfs/dbraw/zinc/05/87/63/181058763.db2.gz MAGUQQSBZBHXCL-ZFWWWQNUSA-N 1 0 243.354 2.686 10 30 BFEERO N#C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000054827390 181059183 /nfs/dbraw/zinc/05/91/83/181059183.db2.gz RVEPEQFURKOCMJ-MELADBBJSA-N 1 0 236.359 2.618 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000054824074 181060071 /nfs/dbraw/zinc/06/00/71/181060071.db2.gz AVTZATJPSRUBKH-JQWIXIFHSA-N 1 0 220.341 2.572 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000054827426 181067479 /nfs/dbraw/zinc/06/74/79/181067479.db2.gz VMJZVOHHSHGWQF-HIFRSBDPSA-N 1 0 244.338 2.737 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]Cc1c[nH]c2ccccc12 ZINC000061892562 181069905 /nfs/dbraw/zinc/06/99/05/181069905.db2.gz BFPILUKLHGIJES-BXUZGUMPSA-N 1 0 239.322 2.950 10 30 BFEERO C=C(C)Cn1cc(CC[NH3+])c2ccccc21 ZINC000075422905 188579821 /nfs/dbraw/zinc/57/98/21/188579821.db2.gz IBRUEKBWISPLMF-UHFFFAOYSA-N 1 0 214.312 2.719 10 30 BFEERO N#Cc1ccc(-c2cc(C[NH3+])ccc2F)s1 ZINC000050266986 181093788 /nfs/dbraw/zinc/09/37/88/181093788.db2.gz DAUGTEJDNQWMOQ-UHFFFAOYSA-N 1 0 232.283 2.885 10 30 BFEERO N#Cc1ccc(-c2ccccc2C[NH3+])s1 ZINC000050266921 181095905 /nfs/dbraw/zinc/09/59/05/181095905.db2.gz ZIWRHTWPWGFQSG-UHFFFAOYSA-N 1 0 214.293 2.745 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1F ZINC000336310335 181105831 /nfs/dbraw/zinc/10/58/31/181105831.db2.gz FJCODTQGBZCDNQ-TZMCWYRMSA-N 1 0 230.286 2.682 10 30 BFEERO N#Cc1ccc(Cl)cc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335578793 181111939 /nfs/dbraw/zinc/11/19/39/181111939.db2.gz HFPVFSMZFXVEIX-SKDRFNHKSA-N 1 0 249.745 2.751 10 30 BFEERO CC(C)C1CC([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000232539881 363375581 /nfs/dbraw/zinc/37/55/81/363375581.db2.gz DWFXITIUISYCDL-WTIISPKJSA-N 1 0 206.333 2.703 10 30 BFEERO CSC1(C[NH2+][C@@H]2CCC[C@H]2C#N)CCC1 ZINC000235095062 363436918 /nfs/dbraw/zinc/43/69/18/363436918.db2.gz ACBSBEJNGMPBIW-WDEREUQCSA-N 1 0 224.373 2.554 10 30 BFEERO [NH2+]=C(Nc1cccc(F)c1)c1ccccc1 ZINC000003619746 181182657 /nfs/dbraw/zinc/18/26/57/181182657.db2.gz CKQSHOMBSPIFQT-UHFFFAOYSA-N 1 0 214.243 2.863 10 30 BFEERO CC1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCC1 ZINC000233018884 355301265 /nfs/dbraw/zinc/30/12/65/355301265.db2.gz OMXRSLNLEULMLB-VXGBXAGGSA-N 1 0 206.333 2.849 10 30 BFEERO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000336208472 134133134 /nfs/dbraw/zinc/13/31/34/134133134.db2.gz MXFLRNGKTSLKKF-NELGMTEASA-N 1 0 231.343 2.741 10 30 BFEERO CC1(C)CCC([C@@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059672 538485332 /nfs/dbraw/zinc/48/53/32/538485332.db2.gz KWABNQBBOLSVMG-YPMHNXCESA-N 1 0 223.360 2.627 10 30 BFEERO CC1(C)CCC[C@H]([C@H]2C[NH2+]C[C@H](C=O)C2)C1 ZINC000675059816 538485518 /nfs/dbraw/zinc/48/55/18/538485518.db2.gz NHHMEQZQJCBZNS-FRRDWIJNSA-N 1 0 223.360 2.627 10 30 BFEERO C#CCCOc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000113335651 134161195 /nfs/dbraw/zinc/16/11/95/134161195.db2.gz GITADXJVTGHLTR-WFASDCNBSA-N 1 0 229.323 2.587 10 30 BFEERO C#CC[C@H]([NH3+])c1ccc(F)cc1Br ZINC000168656831 356863486 /nfs/dbraw/zinc/86/34/86/356863486.db2.gz OZUYNICWROASFA-JTQLQIEISA-N 1 0 242.091 2.611 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cccc(Br)c1C ZINC000130089340 357183731 /nfs/dbraw/zinc/18/37/31/357183731.db2.gz AMMGVVSLDJMIQD-LLVKDONJSA-N 1 0 238.128 2.651 10 30 BFEERO C=CC[N@@H+](C)C[C@@H]1CCc2ccccc2C1=O ZINC000584612934 358276929 /nfs/dbraw/zinc/27/69/29/358276929.db2.gz VBZNVYQFOJXRBP-ZDUSSCGKSA-N 1 0 229.323 2.550 10 30 BFEERO CCCc1nc(Cl)cnc1/[NH+]=C(\C)N(C)C ZINC000584601649 358258647 /nfs/dbraw/zinc/25/86/47/358258647.db2.gz IHDMIYJHPPQLRQ-RIYZIHGNSA-N 1 0 240.738 2.694 10 30 BFEERO C#CC[N@H+]1CC[C@@](CCC)(c2cccc(O)c2)C1 ZINC000584650741 358305874 /nfs/dbraw/zinc/30/58/74/358305874.db2.gz YSUMAPCBVWCFND-MRXNPFEDSA-N 1 0 243.350 2.769 10 30 BFEERO C=C/[NH+]=C/N(/C=N/C1CCCCC1)CC ZINC000584657731 358309591 /nfs/dbraw/zinc/30/95/91/358309591.db2.gz ICAIVJTVSCRUAY-IFQMDVHZSA-N 1 0 207.321 2.841 10 30 BFEERO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000129242192 358584527 /nfs/dbraw/zinc/58/45/27/358584527.db2.gz WZQBMKIMYQVQNS-CHWSQXEVSA-N 1 0 235.327 2.744 10 30 BFEERO C#C[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000130192097 358749886 /nfs/dbraw/zinc/74/98/86/358749886.db2.gz PCEJSMBQUGNYDD-SECBINFHSA-N 1 0 200.068 2.626 10 30 BFEERO C=C(CS)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000306149198 358759852 /nfs/dbraw/zinc/75/98/52/358759852.db2.gz AGBMCUYDZDGLML-TXEJJXNPSA-N 1 0 211.374 2.594 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCc1ccccc1 ZINC000054825594 358876359 /nfs/dbraw/zinc/87/63/59/358876359.db2.gz HQTAIEVCAQHVDV-CABCVRRESA-N 1 0 228.339 2.901 10 30 BFEERO N#C[C@@]1(CC=C(Cl)Cl)CCC[NH2+]C1 ZINC000403372836 358900390 /nfs/dbraw/zinc/90/03/90/358900390.db2.gz OTJRTQAPSLFBCD-VIFPVBQESA-N 1 0 219.115 2.589 10 30 BFEERO C#C[C@@H]([NH2+]C)c1ccc(C)c(Br)c1 ZINC000130242677 358974115 /nfs/dbraw/zinc/97/41/15/358974115.db2.gz NKQAUAHSINFESX-LLVKDONJSA-N 1 0 238.128 2.651 10 30 BFEERO C#C[C@H]([NH2+]C)c1ccc(C)c(Br)c1 ZINC000130242886 358974155 /nfs/dbraw/zinc/97/41/55/358974155.db2.gz NKQAUAHSINFESX-NSHDSACASA-N 1 0 238.128 2.651 10 30 BFEERO CC[NH+](CC)CC#Cc1ccccc1C ZINC000026950829 359725334 /nfs/dbraw/zinc/72/53/34/359725334.db2.gz HJGTYBZMWLMHMU-UHFFFAOYSA-N 1 0 201.313 2.688 10 30 BFEERO CC(C)[C@H]([NH3+])C#Cc1ccsc1Cl ZINC000306381375 359732070 /nfs/dbraw/zinc/73/20/70/359732070.db2.gz RZFVWGJPSIIUJO-SECBINFHSA-N 1 0 213.733 2.736 10 30 BFEERO C#CC[C@H]([NH2+]C)c1cc(Br)cs1 ZINC000070599226 361582666 /nfs/dbraw/zinc/58/26/66/361582666.db2.gz JMZVNGWWCGCPHJ-QMMMGPOBSA-N 1 0 244.157 2.794 10 30 BFEERO C#CC[C@H]([NH2+]C)c1ccc(Br)s1 ZINC000070597848 361583108 /nfs/dbraw/zinc/58/31/08/361583108.db2.gz QLHLGJCONRXJLT-ZETCQYMHSA-N 1 0 244.157 2.794 10 30 BFEERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000614403555 363806390 /nfs/dbraw/zinc/80/63/90/363806390.db2.gz JMRCZGZJJNGAPS-LSDHHAIUSA-N 1 0 226.323 2.851 10 30 BFEERO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000614403553 363806869 /nfs/dbraw/zinc/80/68/69/363806869.db2.gz JMRCZGZJJNGAPS-GJZGRUSLSA-N 1 0 226.323 2.851 10 30 BFEERO [NH3+]CC#Cc1cc(F)ccc1COC1CCCC1 ZINC000049610339 181346569 /nfs/dbraw/zinc/34/65/69/181346569.db2.gz SVJNHYWTQLHURQ-UHFFFAOYSA-N 1 0 247.313 2.595 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000252978591 364678974 /nfs/dbraw/zinc/67/89/74/364678974.db2.gz CQLBQVFUIDWOIS-SDDRHHMPSA-N 1 0 224.373 2.554 10 30 BFEERO COc1ccc([C@@H](C)C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183835804 367051694 /nfs/dbraw/zinc/05/16/94/367051694.db2.gz DWCSQXLVDWLTQK-RYUDHWBXSA-N 1 0 232.327 2.548 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000130874958 369305896 /nfs/dbraw/zinc/30/58/96/369305896.db2.gz AYOYBNSJDJYVGY-GFCCVEGCSA-N 1 0 203.285 2.588 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc(C)c(OC)c1 ZINC000130876207 369306942 /nfs/dbraw/zinc/30/69/42/369306942.db2.gz MHTRFOFTPHSDBU-LBPRGKRZSA-N 1 0 205.301 2.970 10 30 BFEERO N#Cc1ccc(N[C@H]2CC[C@H](C[NH3+])CC2)c(F)c1 ZINC000600962739 369580730 /nfs/dbraw/zinc/58/07/30/369580730.db2.gz KSBRUEBUFMMBCK-UMSPYCQHSA-N 1 0 247.317 2.627 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccc(OC)cc1OC ZINC000130924185 370380048 /nfs/dbraw/zinc/38/00/48/370380048.db2.gz BPUCHCMIYHGWIP-GFCCVEGCSA-N 1 0 221.300 2.670 10 30 BFEERO CC(C)[C@H]([NH3+])CNc1ccc(C#N)c(Cl)c1 ZINC000070010737 371001619 /nfs/dbraw/zinc/00/16/19/371001619.db2.gz IACXKYBPTNXQPW-GFCCVEGCSA-N 1 0 237.734 2.607 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@@H]1SCCS[C@H]1CC ZINC000228288948 372012118 /nfs/dbraw/zinc/01/21/18/372012118.db2.gz CAJWCDIICFFNRV-LPEHRKFASA-N 1 0 217.403 2.517 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@H]1SCCS[C@H]1CC ZINC000228288941 372012438 /nfs/dbraw/zinc/01/24/38/372012438.db2.gz CAJWCDIICFFNRV-GUBZILKMSA-N 1 0 217.403 2.517 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]CCC1CCC1 ZINC000229096130 372117883 /nfs/dbraw/zinc/11/78/83/372117883.db2.gz QVOJSPSAOFWDSR-STQMWFEESA-N 1 0 206.333 2.849 10 30 BFEERO CCC[N@H+](CC)Cc1cccc(C#CCCO)c1 ZINC000049617340 169129877 /nfs/dbraw/zinc/12/98/77/169129877.db2.gz GWEITFIEVUTWNM-UHFFFAOYSA-N 1 0 245.366 2.652 10 30 BFEERO CCC[NH+]1CCC(C#N)(NC2CCCCC2)CC1 ZINC000037969267 169187263 /nfs/dbraw/zinc/18/72/63/169187263.db2.gz GOJZTESHITUUIA-UHFFFAOYSA-N 1 0 249.402 2.677 10 30 BFEERO CCCN[C@H](C#N)CCN(C)c1ccc(C)cc1 ZINC000062438511 169284040 /nfs/dbraw/zinc/28/40/40/169284040.db2.gz WKAIQMWZYYPBJO-AWEZNQCLSA-N 1 0 245.370 2.713 10 30 BFEERO CCC[NH2+][C@@H]1CCc2c1cccc2O[C@@H](C)C#N ZINC000062799876 169282763 /nfs/dbraw/zinc/28/27/63/169282763.db2.gz JXNXYPBVFNQVON-SMDDNHRTSA-N 1 0 244.338 2.964 10 30 BFEERO N#CC1CC[NH+](C[C@H]2Cc3ccccc32)CC1 ZINC000090977036 384087274 /nfs/dbraw/zinc/08/72/74/384087274.db2.gz GKCITTPTONRHBP-CQSZACIVSA-N 1 0 226.323 2.562 10 30 BFEERO CO/[NH+]=C1\CCc2c1cccc2N1CCCCC1 ZINC000117326458 384170117 /nfs/dbraw/zinc/17/01/17/384170117.db2.gz DFFCKAMZENYAJL-JQIJEIRASA-N 1 0 244.338 2.974 10 30 BFEERO CC[C@H]([NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000135483102 384830668 /nfs/dbraw/zinc/83/06/68/384830668.db2.gz XCVDGEGYHITJLR-LBPRGKRZSA-N 1 0 206.289 2.675 10 30 BFEERO CCCCCCCCCCCC(=O)[C@@H](N)C[NH3+] ZINC000059786789 385055718 /nfs/dbraw/zinc/05/57/18/385055718.db2.gz JESAYQYBBWNZRF-ZDUSSCGKSA-N 1 0 242.407 2.762 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309543902 385108513 /nfs/dbraw/zinc/10/85/13/385108513.db2.gz YZTUKCAFAVXMRM-DGCLKSJQSA-N 1 0 218.344 2.991 10 30 BFEERO C[N@@H+]1CCC[C@H](c2ccccc2C#N)CC1 ZINC000258123482 385546637 /nfs/dbraw/zinc/54/66/37/385546637.db2.gz UAJCRLRSAZHIMD-LBPRGKRZSA-N 1 0 214.312 2.758 10 30 BFEERO C=CC[C@H](CO)C[NH2+]CC1CCC(C)CC1 ZINC000336677193 385608410 /nfs/dbraw/zinc/60/84/10/385608410.db2.gz BKNVODUNRJAJFB-RUXDESIVSA-N 1 0 225.376 2.587 10 30 BFEERO CC1(C)CCC[N@@H+]1CC1(C=O)CCCC1 ZINC000063072995 385789378 /nfs/dbraw/zinc/78/93/78/385789378.db2.gz QMZRUQIJSZSXBI-UHFFFAOYSA-N 1 0 209.333 2.620 10 30 BFEERO C=C[C@H]([NH3+])c1cc(Br)oc1C ZINC000307652023 385965692 /nfs/dbraw/zinc/96/56/92/385965692.db2.gz SHTWRHCNNROWDV-ZETCQYMHSA-N 1 0 216.078 2.536 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000394815015 386441158 /nfs/dbraw/zinc/44/11/58/386441158.db2.gz QSVCHUPKHHPZRW-RWMBFGLXSA-N 1 0 218.344 2.991 10 30 BFEERO C=C(CS)C[N@@H+]1CCCC12CCCC2 ZINC000307428159 386650588 /nfs/dbraw/zinc/65/05/88/386650588.db2.gz SCBZAKQRRXXGGT-UHFFFAOYSA-N 1 0 211.374 2.881 10 30 BFEERO N#CCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000336670108 386810349 /nfs/dbraw/zinc/81/03/49/386810349.db2.gz GQRTVFWCGZRSCR-NEPJUHHUSA-N 1 0 224.323 2.798 10 30 BFEERO C/[N+](O)=C/c1ccc(-c2ccccc2)cc1 ZINC000575418836 387029108 /nfs/dbraw/zinc/02/91/08/387029108.db2.gz HYXHJXGASCNPKG-PTNGSMBKSA-N 1 0 212.272 2.804 10 30 BFEERO C=CCC[C@H]([NH3+])c1cc(F)cc(C)c1O ZINC000575438473 387129955 /nfs/dbraw/zinc/12/99/55/387129955.db2.gz JLQNAFHIYUNIJL-NSHDSACASA-N 1 0 209.264 2.806 10 30 BFEERO C=C[C@@H]([NH2+]C)c1ccsc1Br ZINC000575492167 387277361 /nfs/dbraw/zinc/27/73/61/387277361.db2.gz ZNAMYPSDZXIOCJ-SSDOTTSWSA-N 1 0 232.146 2.957 10 30 BFEERO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C#N)cc1 ZINC000054824259 387830256 /nfs/dbraw/zinc/83/02/56/387830256.db2.gz DLSSNFAFXPWEIT-UONOGXRCSA-N 1 0 214.312 2.777 10 30 BFEERO C=CC[N@H+]1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402774 388051099 /nfs/dbraw/zinc/05/10/99/388051099.db2.gz AJZXSUODFSUREG-LBPRGKRZSA-N 1 0 247.338 2.679 10 30 BFEERO C=CC[N@H+]1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000083402773 388051993 /nfs/dbraw/zinc/05/19/93/388051993.db2.gz AJZXSUODFSUREG-GFCCVEGCSA-N 1 0 247.338 2.679 10 30 BFEERO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000335807204 388455054 /nfs/dbraw/zinc/45/50/54/388455054.db2.gz SDQKABLQFRXLDL-LBPRGKRZSA-N 1 0 246.379 2.690 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000281855739 388807856 /nfs/dbraw/zinc/80/78/56/388807856.db2.gz ZOEHMLGOXSEMCH-OCCSQVGLSA-N 1 0 244.338 2.845 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229650332 388863270 /nfs/dbraw/zinc/86/32/70/388863270.db2.gz GQXXAANMWRXUFQ-KBPBESRZSA-N 1 0 239.322 2.950 10 30 BFEERO C=C[C@H]([NH2+]C)c1ccsc1Br ZINC000575492168 388933346 /nfs/dbraw/zinc/93/33/46/388933346.db2.gz ZNAMYPSDZXIOCJ-ZETCQYMHSA-N 1 0 232.146 2.957 10 30 BFEERO CC[N@H+](C)CC#CCCC1SCCCS1 ZINC000013821683 169694600 /nfs/dbraw/zinc/69/46/00/169694600.db2.gz PIROLVKKQQXSMS-UHFFFAOYSA-N 1 0 243.441 2.918 10 30 BFEERO C=CC[NH2+]C[C@H](C)N1CCCc2ccccc21 ZINC000053487415 132229427 /nfs/dbraw/zinc/22/94/27/132229427.db2.gz VXXBLXOQFFTFGT-ZDUSSCGKSA-N 1 0 230.355 2.603 10 30 BFEERO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000336152045 134104668 /nfs/dbraw/zinc/10/46/68/134104668.db2.gz APQIXSXGWJPEMU-KBPBESRZSA-N 1 0 212.296 2.543 10 30 BFEERO N#CCCCC[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000363037634 134215107 /nfs/dbraw/zinc/21/51/07/134215107.db2.gz KGZPWKYSMHSONU-STQMWFEESA-N 1 0 206.333 2.945 10 30 BFEERO CC[N@H+](C[C@H](C)C#N)C[C@@H]1Cc2ccccc21 ZINC000227464193 134384403 /nfs/dbraw/zinc/38/44/03/134384403.db2.gz PGEBAHXVKKIZRW-OCCSQVGLSA-N 1 0 228.339 2.808 10 30 BFEERO C=CC[C@H](C)[NH2+][C@@H](COC)c1ccccc1 ZINC000234718385 134385857 /nfs/dbraw/zinc/38/58/57/134385857.db2.gz HUIVHRHHBRRCIZ-JSGCOSHPSA-N 1 0 219.328 2.928 10 30 BFEERO C=CCOc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052272401 134700456 /nfs/dbraw/zinc/70/04/56/134700456.db2.gz KEOGYZAFKRVJNJ-RISCZKNCSA-N 1 0 217.312 2.749 10 30 BFEERO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088368 135119904 /nfs/dbraw/zinc/11/99/04/135119904.db2.gz FGIGRCPAVNQIJG-MCIONIFRSA-N 1 0 223.360 2.578 10 30 BFEERO [NH2+]=C(NC[C@@H]1C[C@H]1C1CCCCC1)NC1CCC1 ZINC000263064941 135330290 /nfs/dbraw/zinc/33/02/90/135330290.db2.gz GAOVWAZKNKYGAQ-JSGCOSHPSA-N 1 0 249.402 2.660 10 30 BFEERO CC[C@@]1(C(C)C)C[C@@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263161629 135340985 /nfs/dbraw/zinc/34/09/85/135340985.db2.gz QQEGWQIQNYJYIF-FZMZJTMJSA-N 1 0 246.358 2.633 10 30 BFEERO C=CCCC[NH2+][C@@H]1CC(=O)N(C)c2ccccc21 ZINC000280053579 135369211 /nfs/dbraw/zinc/36/92/11/135369211.db2.gz KWLHQALZBCDJQN-CYBMUJFWSA-N 1 0 244.338 2.650 10 30 BFEERO Cc1ccc(C#CC(C)(C)[NH3+])cc1Cl ZINC000231992428 397988196 /nfs/dbraw/zinc/98/81/96/397988196.db2.gz VHRYBFNVJPLSSF-UHFFFAOYSA-N 1 0 207.704 2.737 10 30 BFEERO C#CCC[NH2+][C@H](C)c1ccccc1OCC ZINC000069767664 166149166 /nfs/dbraw/zinc/14/91/66/166149166.db2.gz OHZVJYFSIARBPG-GFCCVEGCSA-N 1 0 217.312 2.759 10 30 BFEERO C#CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000020078320 166192884 /nfs/dbraw/zinc/19/28/84/166192884.db2.gz PFHIYYOECGEOLQ-MRVPVSSYSA-N 1 0 211.667 2.763 10 30 BFEERO C#[N+][C@H](Cc1ccccc1)C(=O)N1CCCCC1 ZINC000035572256 166225458 /nfs/dbraw/zinc/22/54/58/166225458.db2.gz WLVYNAFBYMLVNG-CQSZACIVSA-N 1 0 243.330 2.573 10 30 BFEERO C=CCN(CC=C)C[C@H]1CCC[C@H]1[NH2+]CCC ZINC000053866167 166335255 /nfs/dbraw/zinc/33/52/55/166335255.db2.gz NQMUOOTUWATTEG-HUUCEWRRSA-N 1 0 236.403 2.829 10 30 BFEERO C=CC[NH2+]CCC(=O)c1ccc(Cl)s1 ZINC000049821556 166399180 /nfs/dbraw/zinc/39/91/80/166399180.db2.gz BGRTTWYPBLDMML-UHFFFAOYSA-N 1 0 229.732 2.750 10 30 BFEERO C=CC[NH2+]CC[C@@H](O)c1ccc(C)cc1C ZINC000049817441 166399374 /nfs/dbraw/zinc/39/93/74/166399374.db2.gz FDLLSIZCGLGZAI-CQSZACIVSA-N 1 0 219.328 2.503 10 30 BFEERO C=CC[NH2+]CC(=O)Nc1ccc(CCCC)cc1 ZINC000095081975 166399436 /nfs/dbraw/zinc/39/94/36/166399436.db2.gz HTHQTXZKXHONPL-UHFFFAOYSA-N 1 0 246.354 2.743 10 30 BFEERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054594271 167113032 /nfs/dbraw/zinc/11/30/32/167113032.db2.gz XKGXJMSSUWBVMM-KBPBESRZSA-N 1 0 214.312 2.660 10 30 BFEERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1cccc(C#N)c1 ZINC000054594170 167117641 /nfs/dbraw/zinc/11/76/41/167117641.db2.gz XQAGQDZQZWOBSX-ZIAGYGMSSA-N 1 0 214.312 2.660 10 30 BFEERO CC(C)OCC[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000134949300 167244969 /nfs/dbraw/zinc/24/49/69/167244969.db2.gz JSLFQORBMTURTK-JTQLQIEISA-N 1 0 238.356 2.695 10 30 BFEERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049618577 167369699 /nfs/dbraw/zinc/36/96/99/167369699.db2.gz VHWILJYMKINCLZ-CQSZACIVSA-N 1 0 245.366 2.507 10 30 BFEERO CC1([NH2+]Cc2ccccc2C#N)CCCC1 ZINC000042187312 168064255 /nfs/dbraw/zinc/06/42/55/168064255.db2.gz VAPIKWXWUNBSOU-UHFFFAOYSA-N 1 0 214.312 2.981 10 30 BFEERO CC1([NH2+][C@H]2CCCC[C@H]2C#N)CCCC1 ZINC000054826292 168064274 /nfs/dbraw/zinc/06/42/74/168064274.db2.gz OXUDVJSQZJWYFS-RYUDHWBXSA-N 1 0 206.333 2.991 10 30 BFEERO CCC(C)(C)OCc1ccc(F)c(C#CC[NH3+])c1 ZINC000049610957 168304055 /nfs/dbraw/zinc/30/40/55/168304055.db2.gz OASQCWOGTQDNHI-UHFFFAOYSA-N 1 0 249.329 2.841 10 30 BFEERO CC[NH2+][C@@H](C)c1ccccc1N(C)C[C@@H](C)C#N ZINC000042455680 170142286 /nfs/dbraw/zinc/14/22/86/170142286.db2.gz XBQPPXOEBLLHJH-STQMWFEESA-N 1 0 245.370 2.953 10 30 BFEERO CCN[C@H](C#N)CC[N@H+](CC)CC(CC)CC ZINC000062437002 170156008 /nfs/dbraw/zinc/15/60/08/170156008.db2.gz DYCQRDGCDFJVRE-AWEZNQCLSA-N 1 0 239.407 2.636 10 30 BFEERO CC[C@H](C#N)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745253 171219948 /nfs/dbraw/zinc/21/99/48/171219948.db2.gz VESLBICOILNTJU-WCBMZHEXSA-N 1 0 222.263 2.526 10 30 BFEERO CC[C@H](C)C[N@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049617894 171274941 /nfs/dbraw/zinc/27/49/41/171274941.db2.gz HDCNQQKHWYAFHM-AWEZNQCLSA-N 1 0 245.366 2.508 10 30 BFEERO CC[C@H](C)[N@H+](CCOC)Cc1cccc(C#N)c1 ZINC000048069039 171315906 /nfs/dbraw/zinc/31/59/06/171315906.db2.gz UGRKGKFPBINTDG-ZDUSSCGKSA-N 1 0 246.354 2.805 10 30 BFEERO CN(C)/C=[NH+]/C1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000033898725 172352827 /nfs/dbraw/zinc/35/28/27/172352827.db2.gz KNFYVGHYMIJRDP-KWWJGWKXSA-N 1 0 242.322 2.607 10 30 BFEERO C[N@@H+]1CCCC[C@@H]1CNc1ccc(F)c(C#N)c1 ZINC000054243896 173004137 /nfs/dbraw/zinc/00/41/37/173004137.db2.gz VBINVWKGAAZIKF-CYBMUJFWSA-N 1 0 247.317 2.594 10 30 BFEERO C[NH2+]Cc1cc(Cl)cc(Cl)c1OCC#N ZINC000037711368 173386513 /nfs/dbraw/zinc/38/65/13/173386513.db2.gz LOTNJTVMYTVUBB-UHFFFAOYSA-N 1 0 245.109 2.615 10 30 BFEERO C[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)C#N)cc1 ZINC000042455645 173448056 /nfs/dbraw/zinc/44/80/56/173448056.db2.gz OWEINDVHXDKUEI-NWDGAFQWSA-N 1 0 231.343 2.563 10 30 BFEERO COCC[N@H+](C1CC1)[C@H]1CCCCC[C@@H]1C#N ZINC000042518257 174285429 /nfs/dbraw/zinc/28/54/29/174285429.db2.gz FXGUGAGRRMLCNF-OCCSQVGLSA-N 1 0 236.359 2.570 10 30 BFEERO C[C@@H]([NH3+])c1ccc(N(C)CCC#N)c(Cl)c1 ZINC000061694379 175816689 /nfs/dbraw/zinc/81/66/89/175816689.db2.gz UKOLVDCAQJGZTF-SECBINFHSA-N 1 0 237.734 2.710 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(C#N)c1 ZINC000052274732 176907091 /nfs/dbraw/zinc/90/70/91/176907091.db2.gz LFWUZBAXVKXPRK-GBIKHYSHSA-N 1 0 200.285 2.617 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C#N)s1 ZINC000132736410 176929968 /nfs/dbraw/zinc/92/99/68/176929968.db2.gz IXYGYFUKGJWOHT-NRPADANISA-N 1 0 206.314 2.679 10 30 BFEERO C[C@H]1C[NH+]=C(Nc2c(Cl)cccc2Cl)N1 ZINC000028237478 177278957 /nfs/dbraw/zinc/27/89/57/177278957.db2.gz ITKQNORKNISIMB-LURJTMIESA-N 1 0 244.125 2.562 10 30 BFEERO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1S ZINC000242495506 524630329 /nfs/dbraw/zinc/63/03/29/524630329.db2.gz GGFAEBAPIVACQB-WCQYABFASA-N 1 0 221.369 2.827 10 30 BFEERO C=CCCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000305187765 490447868 /nfs/dbraw/zinc/44/78/68/490447868.db2.gz QPOHCJSTSSCDGJ-GJZGRUSLSA-N 1 0 236.403 2.901 10 30 BFEERO C=C(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253090214 534385396 /nfs/dbraw/zinc/38/53/96/534385396.db2.gz HTHUGDULDCYXHZ-KFWWJZLASA-N 1 0 237.387 2.968 10 30 BFEERO C=C(CC)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000251228773 534396344 /nfs/dbraw/zinc/39/63/44/534396344.db2.gz PNFYAPYOCVCQMP-KBPBESRZSA-N 1 0 223.360 2.580 10 30 BFEERO CCCCCCCCCC1=[NH+]CCN1CCO ZINC000100301194 519979438 /nfs/dbraw/zinc/97/94/38/519979438.db2.gz SCBMJZZCHOUEQV-UHFFFAOYSA-N 1 0 240.391 2.834 10 30 BFEERO CCCCCCCC[NH2+]Cc1cn[nH]c1 ZINC000103335710 520038127 /nfs/dbraw/zinc/03/81/27/520038127.db2.gz PQJFIJOJRBQAMR-UHFFFAOYSA-N 1 0 209.337 2.860 10 30 BFEERO C=CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227381757 534719439 /nfs/dbraw/zinc/71/94/39/534719439.db2.gz ARAWTFXRPGJFGD-KBPBESRZSA-N 1 0 223.360 2.580 10 30 BFEERO C=CCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000088023491 534719485 /nfs/dbraw/zinc/71/94/85/534719485.db2.gz ARAWTFXRPGJFGD-KGLIPLIRSA-N 1 0 223.360 2.580 10 30 BFEERO CC[NH+]=C(NCC1(C)CCCC1)N[C@@H]1C[C@@H]1C ZINC000262813051 535260759 /nfs/dbraw/zinc/26/07/59/535260759.db2.gz UYBQMAZUNNXPHP-NWDGAFQWSA-N 1 0 237.391 2.530 10 30 BFEERO CC[NH+]=C(N[C@@H](C)c1ccc(C)o1)NC1CCC1 ZINC000262808707 535265206 /nfs/dbraw/zinc/26/52/06/535265206.db2.gz ULNKQKMENFAMKF-NSHDSACASA-N 1 0 249.358 2.757 10 30 BFEERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000251790717 535824612 /nfs/dbraw/zinc/82/46/12/535824612.db2.gz XKHAWGPOUPJQCL-VOAKCMCISA-N 1 0 206.333 2.847 10 30 BFEERO CC[C@]1(C(C)C)C[C@@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263161632 535884556 /nfs/dbraw/zinc/88/45/56/535884556.db2.gz QQEGWQIQNYJYIF-SMDDNHRTSA-N 1 0 246.358 2.633 10 30 BFEERO C=C(C[NH2+]C)CSCc1ccc(CC)o1 ZINC000757166115 582548191 /nfs/dbraw/zinc/54/81/91/582548191.db2.gz OOLXVSQIGUOIPC-UHFFFAOYSA-N 1 0 225.357 2.851 10 30 BFEERO CCCCCCCC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000118124434 583953580 /nfs/dbraw/zinc/95/35/80/583953580.db2.gz OKTTYSRQQCATKF-OLZOCXBDSA-N 1 0 240.391 2.604 10 30 BFEERO CCCCCCCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000118124438 583954068 /nfs/dbraw/zinc/95/40/68/583954068.db2.gz OKTTYSRQQCATKF-STQMWFEESA-N 1 0 240.391 2.604 10 30 BFEERO C#CCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134886831 591956860 /nfs/dbraw/zinc/95/68/60/591956860.db2.gz GSLMDSIYLDVDGE-UHFFFAOYSA-N 1 0 245.219 2.957 10 30 BFEERO C#C[C@@H]([NH2+][C@@H]1CCc2ccccc21)C(C)C ZINC000301016362 592527251 /nfs/dbraw/zinc/52/72/51/592527251.db2.gz ZRXZLORPDQCMAC-HUUCEWRRSA-N 1 0 213.324 2.921 10 30 BFEERO C=CCCCCC[C@H](C)[NH2+][C@@H](C)[C@H](C)O ZINC000309055625 631835292 /nfs/dbraw/zinc/83/52/92/631835292.db2.gz UFSRYAVLWFZVOJ-AVGNSLFASA-N 1 0 213.365 2.870 10 30 BFEERO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000308889539 632089692 /nfs/dbraw/zinc/08/96/92/632089692.db2.gz XAHDXNBYGIGYRY-WDEREUQCSA-N 1 0 226.389 2.800 10 30 BFEERO CCCCCCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000108640363 632096225 /nfs/dbraw/zinc/09/62/25/632096225.db2.gz DYPMSLQPIZHYLK-CHWSQXEVSA-N 1 0 240.391 2.591 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000054825283 640412087 /nfs/dbraw/zinc/41/20/87/640412087.db2.gz AKPHTFGARVYMBC-GXTWGEPZSA-N 1 0 232.302 2.650 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000228414430 640874286 /nfs/dbraw/zinc/87/42/86/640874286.db2.gz WAMYGQWSFXJRNY-WCQYABFASA-N 1 0 230.311 2.564 10 30 BFEERO CC(C)([NH3+])CCNc1cc(Cl)ccc1C#N ZINC000304577105 641812611 /nfs/dbraw/zinc/81/26/11/641812611.db2.gz IZVHBDNXTRUZBG-UHFFFAOYSA-N 1 0 237.734 2.751 10 30 BFEERO CCCCCCCC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170867774 642751551 /nfs/dbraw/zinc/75/15/51/642751551.db2.gz GBSHFMTZPAHPIG-ZDUSSCGKSA-N 1 0 240.391 2.509 10 30 BFEERO C#CCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000069768101 642904684 /nfs/dbraw/zinc/90/46/84/642904684.db2.gz MDWXRTJBYWBKCI-UHFFFAOYSA-N 1 0 201.313 2.725 10 30 BFEERO C#CCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000070245401 643006348 /nfs/dbraw/zinc/00/63/48/643006348.db2.gz NOZHMKSOBCHYNH-UHFFFAOYSA-N 1 0 242.366 2.790 10 30 BFEERO C#CCC[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000087376065 644491146 /nfs/dbraw/zinc/49/11/46/644491146.db2.gz FSMPIQXXWWGFPD-UHFFFAOYSA-N 1 0 222.357 2.554 10 30 BFEERO CSC1CC([NH2+][C@H]2CCCC[C@H]2C#N)C1 ZINC000708306239 711955583 /nfs/dbraw/zinc/95/55/83/711955583.db2.gz ZFOXAYLAEPFCIT-XKGSQUFQSA-N 1 0 224.373 2.552 10 30 BFEERO C#CC[C@H](COC)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000708807203 712199529 /nfs/dbraw/zinc/19/95/29/712199529.db2.gz GYJQUOWSCAUCEW-MJBXVCDLSA-N 1 0 237.387 2.829 10 30 BFEERO C#CC[C@H](COC)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000716855088 712578759 /nfs/dbraw/zinc/57/87/59/712578759.db2.gz GYJQUOWSCAUCEW-MGPQQGTHSA-N 1 0 237.387 2.829 10 30 BFEERO C#CC[C@H](COC)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000716855085 712578926 /nfs/dbraw/zinc/57/89/26/712578926.db2.gz GYJQUOWSCAUCEW-MCIONIFRSA-N 1 0 237.387 2.829 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712654720 711449571 /nfs/dbraw/zinc/44/95/71/711449571.db2.gz WWTOGZSZIQSSDU-YIYPIFLZSA-N 1 0 218.344 2.704 10 30 BFEERO C=C1CCC(C[NH2+]Cc2cnn(C)c2C)CC1 ZINC000724556459 711589847 /nfs/dbraw/zinc/58/98/47/711589847.db2.gz PCVQDDJDIMOYMR-UHFFFAOYSA-N 1 0 233.359 2.565 10 30 BFEERO C=C(Br)C[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000321902458 712060934 /nfs/dbraw/zinc/06/09/34/712060934.db2.gz NWRLROLZALJQJY-SZEHBUNVSA-N 1 0 232.165 2.919 10 30 BFEERO C#CCC[NH2+]Cc1cscc1Br ZINC000379325093 712373955 /nfs/dbraw/zinc/37/39/55/712373955.db2.gz AUVNLMLJLGWRHL-UHFFFAOYSA-N 1 0 244.157 2.624 10 30 BFEERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)C12CCC2 ZINC000713487735 712462092 /nfs/dbraw/zinc/46/20/92/712462092.db2.gz IUGRUXLZUGTISP-ZOBORPQBSA-N 1 0 248.370 2.616 10 30 BFEERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000718767330 712781863 /nfs/dbraw/zinc/78/18/63/712781863.db2.gz WFWKHLAPYCDFGB-XJFOESAGSA-N 1 0 236.359 2.616 10 30 BFEERO Cc1ccc([N+](=O)Cc2ccco2)cc1 ZINC000090377690 178361219 /nfs/dbraw/zinc/36/12/19/178361219.db2.gz CPXXRTKNTJCKHP-LCYFTJDESA-N 1 0 201.225 2.849 10 30 BFEERO Cc1ccc(C#N)c(N[C@@H](C[NH+](C)C)C(C)C)c1 ZINC000051579903 178365622 /nfs/dbraw/zinc/36/56/22/178365622.db2.gz CGIVESNTDHVLGG-HNNXBMFYSA-N 1 0 245.370 2.865 10 30 BFEERO CCC(CC)[N@H+](CCO)[C@@H]1CCCC[C@@H]1C#N ZINC000042505456 168373399 /nfs/dbraw/zinc/37/33/99/168373399.db2.gz CPCYYVVCYRASFM-TZMCWYRMSA-N 1 0 238.375 2.552 10 30 BFEERO CCC(CC)[N@H+](CCOC)[C@@H]1CCC[C@@H]1C#N ZINC000042616422 168375452 /nfs/dbraw/zinc/37/54/52/168375452.db2.gz MOJRGSPYSSFVPJ-TZMCWYRMSA-N 1 0 238.375 2.816 10 30 BFEERO C[C@H](C[C@H](C)[NH3+])Nc1cc(Cl)ccc1C#N ZINC000320507110 342733550 /nfs/dbraw/zinc/73/35/50/342733550.db2.gz KVUXMNRSFPNZFH-DTWKUNHWSA-N 1 0 237.734 2.749 10 30 BFEERO C[C@H](C[C@H](C)[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000320465589 342734001 /nfs/dbraw/zinc/73/40/01/342734001.db2.gz FDVQPUBOBPIYGF-DTWKUNHWSA-N 1 0 237.734 2.749 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(C#N)c1 ZINC000037321408 361906168 /nfs/dbraw/zinc/90/61/68/361906168.db2.gz JKVKWBACMHCIRK-GLQYFDAESA-N 1 0 244.338 2.512 10 30 BFEERO C=CCC[C@H](CC)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000381564257 539003771 /nfs/dbraw/zinc/00/37/71/539003771.db2.gz SNHRVNXVFBDSFN-IHRRRGAJSA-N 1 0 224.392 2.661 10 30 BFEERO C=C(C)CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1CC ZINC000386685091 539013453 /nfs/dbraw/zinc/01/34/53/539013453.db2.gz JBMLJKBNJQKMLA-CABCVRRESA-N 1 0 236.403 2.901 10 30 BFEERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C#N)cc1F ZINC000134740056 342880925 /nfs/dbraw/zinc/88/09/25/342880925.db2.gz TZCFIQROXMZOOW-VYUIOLGVSA-N 1 0 218.275 2.756 10 30 BFEERO C[C@@H]1CC(C=O)C[C@@H](C)[NH+]1CC1CCCC1 ZINC000584882921 343085708 /nfs/dbraw/zinc/08/57/08/343085708.db2.gz AJVBIBQNJSVIJE-VXGBXAGGSA-N 1 0 223.360 2.865 10 30 BFEERO C[C@@H]1C[C@@H](C=O)C[C@H](C)[N@H+]1C1CCCC1 ZINC000584883424 343086224 /nfs/dbraw/zinc/08/62/24/343086224.db2.gz NIGQKCDWYRRHNV-ZSBIGDGJSA-N 1 0 209.333 2.617 10 30 BFEERO CC(C)CC[NH+]1[C@@H](C)CC(C=O)C[C@@H]1C ZINC000584883528 343086631 /nfs/dbraw/zinc/08/66/31/343086631.db2.gz ROLABVLUSFVIPB-RYUDHWBXSA-N 1 0 211.349 2.720 10 30 BFEERO C=CCCC[NH2+][C@@H]1[C@H](C)[C@H](OC)C12CCC2 ZINC000336767088 136276183 /nfs/dbraw/zinc/27/61/83/136276183.db2.gz PKABRXGMNPVZGP-XQQFMLRXSA-N 1 0 223.360 2.746 10 30 BFEERO C=CC[N@H+]1CC[C@@](C)(c2cccc(O)c2)C1 ZINC000238500992 343257803 /nfs/dbraw/zinc/25/78/03/343257803.db2.gz TUSIRJPXAHGQFZ-CQSZACIVSA-N 1 0 217.312 2.542 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000054829576 136373082 /nfs/dbraw/zinc/37/30/82/136373082.db2.gz FMBJKTYVPDQJAZ-ZFWWWQNUSA-N 1 0 244.338 2.737 10 30 BFEERO NC(=[NH2+])Nc1c(Cl)cc(Cl)cc1Cl ZINC000052091837 343632146 /nfs/dbraw/zinc/63/21/46/343632146.db2.gz UZPMHUSLTUYKPQ-UHFFFAOYSA-N 1 0 238.505 2.552 10 30 BFEERO CC(C)([NH3+])C#Cc1c(F)cccc1Cl ZINC000306358535 343766719 /nfs/dbraw/zinc/76/67/19/343766719.db2.gz ZNZHDHHGUXUAMM-UHFFFAOYSA-N 1 0 211.667 2.568 10 30 BFEERO CC(=[NH2+])Nc1cc(Br)ccc1F ZINC000062987190 349866398 /nfs/dbraw/zinc/86/63/98/349866398.db2.gz SXEMZPCNMPWSFC-UHFFFAOYSA-N 1 0 231.068 2.597 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000334212973 343833129 /nfs/dbraw/zinc/83/31/29/343833129.db2.gz DCDUMAOPUDXFRE-KGLIPLIRSA-N 1 0 212.296 2.543 10 30 BFEERO C=C(CC)CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000313540581 344101351 /nfs/dbraw/zinc/10/13/51/344101351.db2.gz RTTVIGANZNRDRS-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@H]1C#N)OC ZINC000381295495 344491780 /nfs/dbraw/zinc/49/17/80/344491780.db2.gz PEEZYUMCBPTAGZ-XUXIUFHCSA-N 1 0 238.375 2.719 10 30 BFEERO C[C@@H]1C[C@H](C)C[N@H+]1CC(C)(C)CS ZINC000158403929 344644069 /nfs/dbraw/zinc/64/40/69/344644069.db2.gz DQCVTXZGHYOLSB-VHSXEESVSA-N 1 0 201.379 2.673 10 30 BFEERO CC#CC[NH2+][C@@H]1CCCc2sccc21 ZINC000061362150 344921440 /nfs/dbraw/zinc/92/14/40/344921440.db2.gz SCHQTJDAZYHOKI-LLVKDONJSA-N 1 0 205.326 2.738 10 30 BFEERO C#CC[N@@H+](CCC)[C@@H]1CCc2ccc(O)cc2C1 ZINC000136513863 345814670 /nfs/dbraw/zinc/81/46/70/345814670.db2.gz ABWBPOZDOXARFZ-OAHLLOKOSA-N 1 0 243.350 2.595 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236171764 346205150 /nfs/dbraw/zinc/20/51/50/346205150.db2.gz VLGZDJZCVPLJQR-GOEBONIOSA-N 1 0 240.350 2.826 10 30 BFEERO C#C[C@H]([NH3+])c1cc(Cl)cc(Br)c1 ZINC000236290357 346221188 /nfs/dbraw/zinc/22/11/88/346221188.db2.gz LUQZOVDEVZLGDR-VIFPVBQESA-N 1 0 244.519 2.736 10 30 BFEERO C#C[C@H]([NH3+])c1ccc(Cl)cc1Br ZINC000236290467 346221362 /nfs/dbraw/zinc/22/13/62/346221362.db2.gz YGUWIWGVDFSHSD-VIFPVBQESA-N 1 0 244.519 2.736 10 30 BFEERO C#C[C@@H]([NH3+])c1cc(Cl)ccc1Br ZINC000236301539 346225525 /nfs/dbraw/zinc/22/55/25/346225525.db2.gz ICKXOSAXIQDSIZ-SECBINFHSA-N 1 0 244.519 2.736 10 30 BFEERO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC12CCOCC2 ZINC000336738096 347089863 /nfs/dbraw/zinc/08/98/63/347089863.db2.gz JZGJYVWDXIYICD-OLZOCXBDSA-N 1 0 223.360 2.747 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309517780 347090723 /nfs/dbraw/zinc/09/07/23/347090723.db2.gz SGNBMSGLHHJUOA-RFQIPJPRSA-N 1 0 218.344 2.847 10 30 BFEERO CC[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2C#N)C1 ZINC000104186728 346531511 /nfs/dbraw/zinc/53/15/11/346531511.db2.gz LBHPVWKGRKVKAB-CYBMUJFWSA-N 1 0 247.317 2.594 10 30 BFEERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000309604601 347119817 /nfs/dbraw/zinc/11/98/17/347119817.db2.gz YIRMJLIURNPQKH-QJPTWQEYSA-N 1 0 218.300 2.931 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000590961807 347595475 /nfs/dbraw/zinc/59/54/75/347595475.db2.gz XQDSHOCAWHMBBD-MJBXVCDLSA-N 1 0 248.370 2.760 10 30 BFEERO Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]2C#N)c(C)c1 ZINC000592122685 347737252 /nfs/dbraw/zinc/73/72/52/347737252.db2.gz LTBGEKCDMYHNMV-DZGCQCFKSA-N 1 0 243.354 2.523 10 30 BFEERO C[C@]1(C#N)CC[N@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000595841345 348376314 /nfs/dbraw/zinc/37/63/14/348376314.db2.gz KMIVYQVOMNIQQM-DZGCQCFKSA-N 1 0 226.323 2.562 10 30 BFEERO CCO/[NH+]=C1\C[C@@H](C)c2c1cccc2N ZINC000584645295 490182343 /nfs/dbraw/zinc/18/23/43/490182343.db2.gz HEKJNIWJNNFVSX-RDQYORKRSA-N 1 0 204.273 2.517 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CC1CCCCC1 ZINC000054824937 348668622 /nfs/dbraw/zinc/66/86/22/348668622.db2.gz KMJXFSMGSMEIET-CHWSQXEVSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000597195729 348672241 /nfs/dbraw/zinc/67/22/41/348672241.db2.gz NREBAJPDJMZTAH-IKOXMDCHSA-N 1 0 218.344 2.847 10 30 BFEERO O=C1C=C([NH2+]N2CCc3ccccc32)CCC1 ZINC000206399650 348637757 /nfs/dbraw/zinc/63/77/57/348637757.db2.gz AFFCSUZLSGXWTB-NTCAYCPXSA-N 1 0 228.295 2.548 10 30 BFEERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000597195958 348673079 /nfs/dbraw/zinc/67/30/79/348673079.db2.gz PCTUUGVHJZJBSR-WISYIIOYSA-N 1 0 224.373 2.552 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCC12CC2 ZINC000597197398 348674088 /nfs/dbraw/zinc/67/40/88/348674088.db2.gz XCQYVYVWZQOGKW-XQQFMLRXSA-N 1 0 218.344 2.991 10 30 BFEERO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382380038 350355355 /nfs/dbraw/zinc/35/53/55/350355355.db2.gz GUPAQJKCQHXWRN-MBJXGIAVSA-N 1 0 218.344 2.847 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000336643288 350413528 /nfs/dbraw/zinc/41/35/28/350413528.db2.gz BYMKMKGZYVCCHE-NWDGAFQWSA-N 1 0 206.333 2.801 10 30 BFEERO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163182881 350512715 /nfs/dbraw/zinc/51/27/15/350512715.db2.gz OHQVOQFBVRAUKQ-XQQFMLRXSA-N 1 0 243.778 2.754 10 30 BFEERO SCC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000095078985 187455302 /nfs/dbraw/zinc/45/53/02/187455302.db2.gz IEQJEGKMPSHREI-ZDUSSCGKSA-N 1 0 221.369 2.828 10 30 BFEERO CC(C)[N@@H+]1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616598234 350658404 /nfs/dbraw/zinc/65/84/04/350658404.db2.gz NLGYESRSVQUZNZ-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO CC[N@@H+]1CCC[C@H]1c1cccc(C#N)c1 ZINC000616606761 350798104 /nfs/dbraw/zinc/79/81/04/350798104.db2.gz ITCVIJOARNPQBT-ZDUSSCGKSA-N 1 0 200.285 2.715 10 30 BFEERO CC[N@@H+]1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616617001 350859230 /nfs/dbraw/zinc/85/92/30/350859230.db2.gz FTPJZDRUCNLWSM-CQSZACIVSA-N 1 0 214.312 2.758 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C#N)CS1 ZINC000397786816 350972632 /nfs/dbraw/zinc/97/26/32/350972632.db2.gz BLESUFXGKWVLQQ-WYUUTHIRSA-N 1 0 224.373 2.552 10 30 BFEERO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C#N)CS1 ZINC000336691056 350986850 /nfs/dbraw/zinc/98/68/50/350986850.db2.gz WRCGDPRBQTUISN-VOAKCMCISA-N 1 0 238.400 2.798 10 30 BFEERO C=CCCC[NH2+]CCN(C)Cc1ccccc1 ZINC000306877421 351271451 /nfs/dbraw/zinc/27/14/51/351271451.db2.gz IBGJSMYMCSGNQY-UHFFFAOYSA-N 1 0 232.371 2.674 10 30 BFEERO C=C1CCC[N@@H+](C[C@@H]2CC2(Cl)Cl)C1 ZINC000306924178 351343059 /nfs/dbraw/zinc/34/30/59/351343059.db2.gz IMVRVWHITLVCGB-VIFPVBQESA-N 1 0 220.143 2.832 10 30 BFEERO CCCCCCC[C@](C)([NH2+][C@@H](C)CC)C(N)=O ZINC000103111414 168658495 /nfs/dbraw/zinc/65/84/95/168658495.db2.gz GQYDEDMEQMJWRN-JSGCOSHPSA-N 1 0 242.407 2.979 10 30 BFEERO C=CC[N@@H+](CCS)CCCCCC ZINC000026509726 166344847 /nfs/dbraw/zinc/34/48/47/166344847.db2.gz MVQGVMSGTHFXKY-UHFFFAOYSA-N 1 0 201.379 2.985 10 30 BFEERO C#CC[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000166428341 133903786 /nfs/dbraw/zinc/90/37/86/133903786.db2.gz NNJCEAOKSDVBNO-KGLIPLIRSA-N 1 0 217.287 2.685 10 30 BFEERO C[C@@H]1[C@@H](S)CC[N@@H+]1Cc1ccccc1 ZINC000307446302 352602295 /nfs/dbraw/zinc/60/22/95/352602295.db2.gz CXVYRAXVUKPVNF-PWSUYJOCSA-N 1 0 207.342 2.579 10 30 BFEERO CC#CCOc1cccc2c1CC[C@H]2[NH2+]CC ZINC000062799582 187872505 /nfs/dbraw/zinc/87/25/05/187872505.db2.gz JCGKZVFXAKEDBZ-CQSZACIVSA-N 1 0 229.323 2.686 10 30 BFEERO C[C@H]1CC[N@H+](CC2(CS)CC2)CCS1 ZINC000306535444 353022252 /nfs/dbraw/zinc/02/22/52/353022252.db2.gz GDHLQJXARPXRGS-JTQLQIEISA-N 1 0 231.430 2.524 10 30 BFEERO C=C(C)[C@@H]([NH3+])c1ccoc1Br ZINC000232557496 353128342 /nfs/dbraw/zinc/12/83/42/353128342.db2.gz HTYWYXXJVWNACK-SSDOTTSWSA-N 1 0 216.078 2.618 10 30 BFEERO C=C(C)[C@H]([NH3+])c1coc(Br)c1 ZINC000307756016 353130138 /nfs/dbraw/zinc/13/01/38/353130138.db2.gz GIFZJWFHHAFQAO-QMMMGPOBSA-N 1 0 216.078 2.618 10 30 BFEERO C#CC[NH2+]Cc1ccc(OCCC)c(Cl)c1 ZINC000045945338 188085820 /nfs/dbraw/zinc/08/58/20/188085820.db2.gz BOCWMZPPWPSXIF-UHFFFAOYSA-N 1 0 237.730 2.852 10 30 BFEERO C#CCC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000069768009 188111559 /nfs/dbraw/zinc/11/15/59/188111559.db2.gz SBEQKUJOYZZFJB-ZDUSSCGKSA-N 1 0 201.313 2.977 10 30 BFEERO CC(C)[N@H+](CCC#N)[C@@H](C)c1ccc(N)cc1 ZINC000042528601 188120527 /nfs/dbraw/zinc/12/05/27/188120527.db2.gz AQRGHPCCTZVPLR-LBPRGKRZSA-N 1 0 231.343 2.954 10 30 BFEERO SC[C@H]1CC[C@]2(CC[N@@H+](C3CC3)C2)C1 ZINC000095079008 188145382 /nfs/dbraw/zinc/14/53/82/188145382.db2.gz OZSWRYNVDJFEQS-JQWIXIFHSA-N 1 0 211.374 2.571 10 30 BFEERO CC(C)[C@H](C[NH+](C)C)Nc1ccccc1C#N ZINC000049219086 188124299 /nfs/dbraw/zinc/12/42/99/188124299.db2.gz VAUXIZQJQSYEAJ-AWEZNQCLSA-N 1 0 231.343 2.556 10 30 BFEERO C=C(C)COc1c(C[C@H]([NH3+])CC)cccc1OC ZINC000037727837 188152541 /nfs/dbraw/zinc/15/25/41/188152541.db2.gz YFCSPLPQOHPRDA-CYBMUJFWSA-N 1 0 249.354 2.930 10 30 BFEERO C=CCOc1ccc2c(c1)CCC[C@@H]2[NH3+] ZINC000044732476 188152826 /nfs/dbraw/zinc/15/28/26/188152826.db2.gz CANLUOAMAUTMOE-ZDUSSCGKSA-N 1 0 203.285 2.588 10 30 BFEERO C#CC[C@H]([NH3+])c1nc(C)c(C(C)C)s1 ZINC000083345587 188179095 /nfs/dbraw/zinc/17/90/95/188179095.db2.gz RVYQNRVYLBNSRX-VIFPVBQESA-N 1 0 208.330 2.598 10 30 BFEERO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCC1=O ZINC000250514353 353272030 /nfs/dbraw/zinc/27/20/30/353272030.db2.gz FMRFHZOBFNQSRR-MNOVXSKESA-N 1 0 227.735 2.573 10 30 BFEERO C#CCC[C@@H]([NH3+])c1cccc(F)c1Cl ZINC000127873551 353274452 /nfs/dbraw/zinc/27/44/52/353274452.db2.gz YBVKPHZOCSDQET-SNVBAGLBSA-N 1 0 211.667 2.892 10 30 BFEERO C=C(C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000161008309 353276207 /nfs/dbraw/zinc/27/62/07/353276207.db2.gz LZEUUAVTDYWKFV-NSHDSACASA-N 1 0 233.311 2.685 10 30 BFEERO C=C[C@@H]([NH3+])c1cc(F)c(Cl)cc1F ZINC000161709958 353295371 /nfs/dbraw/zinc/29/53/71/353295371.db2.gz WVUSBORSLXGRTN-SECBINFHSA-N 1 0 203.619 2.804 10 30 BFEERO C=CCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128728883 353301484 /nfs/dbraw/zinc/30/14/84/353301484.db2.gz NTIGXPJHZAFTHX-ZIAGYGMSSA-N 1 0 233.359 2.923 10 30 BFEERO C=CCC[C@H](CCC)[NH2+][C@H]1CCO[C@H]1C ZINC000252729435 353302793 /nfs/dbraw/zinc/30/27/93/353302793.db2.gz GSHDIUIUFIOYRV-AVGNSLFASA-N 1 0 211.349 2.888 10 30 BFEERO C=CCC[C@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000129103817 353307616 /nfs/dbraw/zinc/30/76/16/353307616.db2.gz YKTQHCXEEWKLTE-ZDUSSCGKSA-N 1 0 221.300 2.670 10 30 BFEERO C#C[C@@H]([NH3+])c1cc(C)c(Br)c(C)c1 ZINC000162905429 353334498 /nfs/dbraw/zinc/33/44/98/353334498.db2.gz BHTYJYADKGSSIL-SNVBAGLBSA-N 1 0 238.128 2.699 10 30 BFEERO C#C[C@H]([NH2+]C)c1ccc(Cl)c(Cl)c1 ZINC000133211126 353407703 /nfs/dbraw/zinc/40/77/03/353407703.db2.gz OZUFKPNAXRVASG-JTQLQIEISA-N 1 0 214.095 2.887 10 30 BFEERO C#CCC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000271760145 188445173 /nfs/dbraw/zinc/44/51/73/188445173.db2.gz FPKYXMKYXVSOCT-NSHDSACASA-N 1 0 205.276 2.808 10 30 BFEERO N#CCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116291264 181036077 /nfs/dbraw/zinc/03/60/77/181036077.db2.gz SZBCJWGGLBUFLB-NSHDSACASA-N 1 0 204.273 2.720 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOC1CCCC1 ZINC000104442654 181058354 /nfs/dbraw/zinc/05/83/54/181058354.db2.gz ZLKGGLCLKUSRJJ-GXTWGEPZSA-N 1 0 236.359 2.618 10 30 BFEERO CCCC[C@@H](C[NH3+])Nc1ccc(F)cc1C#N ZINC000130565811 363297309 /nfs/dbraw/zinc/29/73/09/363297309.db2.gz UCBNWZNEGTWPHB-LBPRGKRZSA-N 1 0 235.306 2.627 10 30 BFEERO N#C[C@H]1CCCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000054825554 181067876 /nfs/dbraw/zinc/06/78/76/181067876.db2.gz GBDWSBFTRGPPRU-CABCVRRESA-N 1 0 243.354 2.686 10 30 BFEERO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230645724 363315706 /nfs/dbraw/zinc/31/57/06/363315706.db2.gz UVUHEMYWOFBTMY-KOLCDFICSA-N 1 0 208.305 2.988 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1F ZINC000054823650 181069340 /nfs/dbraw/zinc/06/93/40/181069340.db2.gz BRVBHKWXBOHCHN-OCCSQVGLSA-N 1 0 232.302 2.650 10 30 BFEERO C=CCc1ccccc1OCCCC[NH2+]C ZINC000053042372 188579268 /nfs/dbraw/zinc/57/92/68/188579268.db2.gz WBVLOJIOZDZVLI-UHFFFAOYSA-N 1 0 219.328 2.794 10 30 BFEERO N#Cc1cc(Cl)ccc1NC[C@@H]1CCCC[NH2+]1 ZINC000052858729 181086770 /nfs/dbraw/zinc/08/67/70/181086770.db2.gz BFMDTJQLIZGQFY-LBPRGKRZSA-N 1 0 249.745 2.766 10 30 BFEERO N#Cc1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1 ZINC000051862187 181111104 /nfs/dbraw/zinc/11/11/04/181111104.db2.gz ZRJKTSBPPDHBMY-HNNXBMFYSA-N 1 0 244.338 2.607 10 30 BFEERO N#Cc1ccc(NCCC[NH2+]C2CC2)c(Cl)c1 ZINC000062791293 181121352 /nfs/dbraw/zinc/12/13/52/181121352.db2.gz HJELPFSDYGWGJI-UHFFFAOYSA-N 1 0 249.745 2.766 10 30 BFEERO N#Cc1ccc(NCCC[NH+]2CCCC2)c(F)c1 ZINC000062075937 181121492 /nfs/dbraw/zinc/12/14/92/181121492.db2.gz ZWFOZJBXRXBBSO-UHFFFAOYSA-N 1 0 247.317 2.595 10 30 BFEERO N#Cc1ccc(NCc2c[nH]cn2)cc1Cl ZINC000054764005 181123472 /nfs/dbraw/zinc/12/34/72/181123472.db2.gz WBGYZMYWZHRKLW-UHFFFAOYSA-N 1 0 232.674 2.547 10 30 BFEERO N#Cc1ccc([C@@H]2CCC[NH2+]2)cc1Cl ZINC000072201931 181130585 /nfs/dbraw/zinc/13/05/85/181130585.db2.gz ZHARYILAVGWKFY-NSHDSACASA-N 1 0 206.676 2.636 10 30 BFEERO N#Cc1cccc(O[C@H](C[NH3+])c2cccs2)c1 ZINC000043109955 181142782 /nfs/dbraw/zinc/14/27/82/181142782.db2.gz METROKMZZZWQHR-GFCCVEGCSA-N 1 0 244.319 2.699 10 30 BFEERO C#C[C@H]([NH3+])c1ccc(Br)cc1Cl ZINC000130161555 358506142 /nfs/dbraw/zinc/50/61/42/358506142.db2.gz XDYGNQSFVUSESK-VIFPVBQESA-N 1 0 244.519 2.736 10 30 BFEERO C[C@H]1C[NH+](CC2(C#N)CCC2)C[C@H](C)S1 ZINC000336201188 134130651 /nfs/dbraw/zinc/13/06/51/134130651.db2.gz XLTYGHAIZQMIAB-QWRGUYRKSA-N 1 0 224.373 2.506 10 30 BFEERO CC1(C)CCC[C@H]([C@@H]2C[NH2+]C[C@H](C=O)C2)C1 ZINC000675059814 538485437 /nfs/dbraw/zinc/48/54/37/538485437.db2.gz NHHMEQZQJCBZNS-AGIUHOORSA-N 1 0 223.360 2.627 10 30 BFEERO C#CC[C@H]([NH3+])c1cc(F)ccc1Br ZINC000168660746 356881625 /nfs/dbraw/zinc/88/16/25/356881625.db2.gz XGCCGJBREDALQO-JTQLQIEISA-N 1 0 242.091 2.611 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(C)cc1Br ZINC000168663624 356993884 /nfs/dbraw/zinc/99/38/84/356993884.db2.gz FJGPZCUBRBBBQY-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO C=CCC[C@@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000129876067 357009449 /nfs/dbraw/zinc/00/94/49/357009449.db2.gz KFIAXAGZAZPXGI-GFCCVEGCSA-N 1 0 205.301 2.970 10 30 BFEERO C=CCC[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000129876306 357009923 /nfs/dbraw/zinc/00/99/23/357009923.db2.gz KFIAXAGZAZPXGI-LBPRGKRZSA-N 1 0 205.301 2.970 10 30 BFEERO C=CCCCCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000390626413 357108272 /nfs/dbraw/zinc/10/82/72/357108272.db2.gz HIYDNGORSRBRAW-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO C=C(C)[C@H]([NH3+])[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300023760 357172775 /nfs/dbraw/zinc/17/27/75/357172775.db2.gz DTSACIHPNSQNHZ-XKNYDFJKSA-N 1 0 217.403 2.515 10 30 BFEERO C#CC[C@H]([NH2+]C)c1cc(C)cc(Cl)c1 ZINC000168683880 357198786 /nfs/dbraw/zinc/19/87/86/357198786.db2.gz KJEWAJZFJMNCGC-LBPRGKRZSA-N 1 0 207.704 2.932 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc(Br)ccc1C ZINC000168682826 357183025 /nfs/dbraw/zinc/18/30/25/357183025.db2.gz BXCJYEFZJBYOJS-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO C#C[C@H]([NH2+]C)c1ccc(Br)cc1C ZINC000130088155 357183684 /nfs/dbraw/zinc/18/36/84/357183684.db2.gz UNNAWZQXTURCHE-NSHDSACASA-N 1 0 238.128 2.651 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000230686510 357549764 /nfs/dbraw/zinc/54/97/64/357549764.db2.gz UGXKOTYUZIGNRD-JSGCOSHPSA-N 1 0 239.322 2.950 10 30 BFEERO C#CC[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000129908824 358601465 /nfs/dbraw/zinc/60/14/65/358601465.db2.gz WJYZKCYFEKBELA-IUDNXUCKSA-N 1 0 238.334 2.612 10 30 BFEERO C#C[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000130191872 358749823 /nfs/dbraw/zinc/74/98/23/358749823.db2.gz PCEJSMBQUGNYDD-VIFPVBQESA-N 1 0 200.068 2.626 10 30 BFEERO N#CC1(CC=C(Cl)Cl)CC[NH2+]CC1 ZINC000403412966 358981795 /nfs/dbraw/zinc/98/17/95/358981795.db2.gz WBVXIHLGLKEWFR-UHFFFAOYSA-N 1 0 219.115 2.589 10 30 BFEERO Cc1ccc(Cl)c(C#CCCC[NH3+])c1 ZINC000306213963 359314713 /nfs/dbraw/zinc/31/47/13/359314713.db2.gz MEYQHUHMSLXYRX-UHFFFAOYSA-N 1 0 207.704 2.739 10 30 BFEERO C#CCOc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000045945911 359745920 /nfs/dbraw/zinc/74/59/20/359745920.db2.gz HGTMABZVSCKNSA-UHFFFAOYSA-N 1 0 241.290 2.581 10 30 BFEERO C=C(C)CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000352024699 366549063 /nfs/dbraw/zinc/54/90/63/366549063.db2.gz IHIHPPSRGDUUEU-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO C=C[C@@H]([NH3+])c1ccsc1Br ZINC000238575935 361157214 /nfs/dbraw/zinc/15/72/14/361157214.db2.gz VVQRZBXIAFQXND-ZCFIWIBFSA-N 1 0 218.119 2.696 10 30 BFEERO C[C@H](C[NH2+][C@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000162879034 361369701 /nfs/dbraw/zinc/36/97/01/361369701.db2.gz RREOKMCMAWLXDR-UTUOFQBUSA-N 1 0 208.349 2.950 10 30 BFEERO CC#CC[C@H]([NH3+])c1ccc(Br)s1 ZINC000070597734 361582745 /nfs/dbraw/zinc/58/27/45/361582745.db2.gz XTIHYDXRVBGEAY-ZETCQYMHSA-N 1 0 244.157 2.924 10 30 BFEERO C=CCC[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000168566956 364959895 /nfs/dbraw/zinc/95/98/95/364959895.db2.gz RZWQTWRTRDEMNN-UHFFFAOYSA-N 1 0 205.345 2.977 10 30 BFEERO N#C[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000675060744 541463874 /nfs/dbraw/zinc/46/38/74/541463874.db2.gz OCQGNUFMVSYPPB-SOUVJXGZSA-N 1 0 226.323 2.668 10 30 BFEERO C#CCC[NH+]1CCC(Cc2ccc(O)cc2)CC1 ZINC000039042600 368407248 /nfs/dbraw/zinc/40/72/48/368407248.db2.gz RXIGOGCRBZLVQJ-UHFFFAOYSA-N 1 0 243.350 2.670 10 30 BFEERO CC(C)CCOCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000054828268 369101302 /nfs/dbraw/zinc/10/13/02/369101302.db2.gz KCLIVHLZOFKSDU-KBPBESRZSA-N 1 0 238.375 2.721 10 30 BFEERO CC[NH2+]CCCNc1ccc(C#N)c(Cl)c1 ZINC000061846938 369864268 /nfs/dbraw/zinc/86/42/68/369864268.db2.gz AARYJYWPVXMEIU-UHFFFAOYSA-N 1 0 237.734 2.623 10 30 BFEERO C=CCC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000310589991 370353911 /nfs/dbraw/zinc/35/39/11/370353911.db2.gz YQJYZHUEIJTEFS-LLVKDONJSA-N 1 0 213.365 2.585 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000389986417 371184947 /nfs/dbraw/zinc/18/49/47/371184947.db2.gz DILJCFCPSWTJCW-ONGXEEELSA-N 1 0 228.286 2.846 10 30 BFEERO C[C@H]1SCC[N@H+](CC(C)(C)CS)[C@H]1C ZINC000132804976 371925808 /nfs/dbraw/zinc/92/58/08/371925808.db2.gz XWXFFEGWBAEMJM-VHSXEESVSA-N 1 0 233.446 2.768 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CCC1CCC1 ZINC000229096160 372118053 /nfs/dbraw/zinc/11/80/53/372118053.db2.gz QVOJSPSAOFWDSR-CHWSQXEVSA-N 1 0 206.333 2.849 10 30 BFEERO CCC[NH+](CCC)Cc1ccccc1C#CCO ZINC000049616295 169148581 /nfs/dbraw/zinc/14/85/81/169148581.db2.gz XOKJGMDDKSIVER-UHFFFAOYSA-N 1 0 245.366 2.652 10 30 BFEERO CCC[NH2+][C@H]1CCc2c1cccc2O[C@H](C)C#N ZINC000062799879 169292747 /nfs/dbraw/zinc/29/27/47/169292747.db2.gz JXNXYPBVFNQVON-RISCZKNCSA-N 1 0 244.338 2.964 10 30 BFEERO CCCOc1ccc2cc(C#CC[NH3+])ccc2c1 ZINC000042477894 169323301 /nfs/dbraw/zinc/32/33/01/169323301.db2.gz VKBYIYRGOKFKBG-UHFFFAOYSA-N 1 0 239.318 2.939 10 30 BFEERO C=CCC[C@H](CCC)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376060739 134381178 /nfs/dbraw/zinc/38/11/78/134381178.db2.gz ZCGVZUPFEDFJRP-XDQVBPFNSA-N 1 0 223.360 2.603 10 30 BFEERO CN/C(Cc1ccc2cc(C)ccc2c1)=[NH+]\C ZINC000029416982 383880258 /nfs/dbraw/zinc/88/02/58/383880258.db2.gz HAZIAEDYPXQLPS-UHFFFAOYSA-N 1 0 226.323 2.938 10 30 BFEERO N#Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)o1 ZINC000135136985 384059362 /nfs/dbraw/zinc/05/93/62/384059362.db2.gz HHKNTKOTNWXSIA-HNNXBMFYSA-N 1 0 238.290 2.928 10 30 BFEERO O=[N+](Cc1ccc2c(c1)OCO2)c1ccccc1 ZINC000058979121 385037119 /nfs/dbraw/zinc/03/71/19/385037119.db2.gz ZYMPIMWKBKPKIX-DHDCSXOGSA-N 1 0 241.246 2.676 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000308842679 385215226 /nfs/dbraw/zinc/21/52/26/385215226.db2.gz KQUZEIDJMMZGCF-WUHRBBMRSA-N 1 0 206.333 2.869 10 30 BFEERO N#CCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308895684 385250849 /nfs/dbraw/zinc/25/08/49/385250849.db2.gz ZZIBQARGQKEQTI-NWDGAFQWSA-N 1 0 212.312 2.798 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@@H]1CC1(C)C ZINC000308988773 385334960 /nfs/dbraw/zinc/33/49/60/385334960.db2.gz KMPIAARGCUEXBC-WHOHXGKFSA-N 1 0 206.333 2.703 10 30 BFEERO C[N@@H+]1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000258123479 385547611 /nfs/dbraw/zinc/54/76/11/385547611.db2.gz UAJCRLRSAZHIMD-GFCCVEGCSA-N 1 0 214.312 2.758 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000231674751 385783089 /nfs/dbraw/zinc/78/30/89/385783089.db2.gz ASQSOIHYXJAOFN-GXTWGEPZSA-N 1 0 244.338 2.845 10 30 BFEERO C=C(CS)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000307000329 385814979 /nfs/dbraw/zinc/81/49/79/385814979.db2.gz AGBMCUYDZDGLML-VXGBXAGGSA-N 1 0 211.374 2.594 10 30 BFEERO C#CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000164590388 386079039 /nfs/dbraw/zinc/07/90/39/386079039.db2.gz VEGJYQLDOBSXMP-BFHYXJOUSA-N 1 0 235.371 2.726 10 30 BFEERO C[C@H](CCC[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000309345836 386144774 /nfs/dbraw/zinc/14/47/74/386144774.db2.gz YUNXLPDZUAQSQM-SECBINFHSA-N 1 0 237.734 2.751 10 30 BFEERO CC(C)[N@@H+]1CCCOC[C@@H]1c1cccc(C#N)c1 ZINC000616599895 386534098 /nfs/dbraw/zinc/53/40/98/386534098.db2.gz SEAAYJSEVPMBNG-OAHLLOKOSA-N 1 0 244.338 2.730 10 30 BFEERO C=CC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000395359823 386818475 /nfs/dbraw/zinc/81/84/75/386818475.db2.gz AZCDRKVCVMSOQY-TUAOUCFPSA-N 1 0 223.360 2.602 10 30 BFEERO N#CCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000336670116 386809059 /nfs/dbraw/zinc/80/90/59/386809059.db2.gz GQRTVFWCGZRSCR-VXGBXAGGSA-N 1 0 224.323 2.798 10 30 BFEERO C=CCCCCC[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352669421 387432908 /nfs/dbraw/zinc/43/29/08/387432908.db2.gz ZRMGLANHZGBCPL-STQMWFEESA-N 1 0 211.349 2.578 10 30 BFEERO C[NH+](C)CC#CCCc1ccc2ccccc2n1 ZINC000584627003 387504193 /nfs/dbraw/zinc/50/41/93/387504193.db2.gz BAZQLGDQFDARMP-UHFFFAOYSA-N 1 0 238.334 2.732 10 30 BFEERO C=C(C)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000160299221 388057185 /nfs/dbraw/zinc/05/71/85/388057185.db2.gz GEGOYSZORFDKLA-GFCCVEGCSA-N 1 0 203.285 2.545 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cc2cscc2s1 ZINC000575491488 388927859 /nfs/dbraw/zinc/92/78/59/388927859.db2.gz DQCIHHNSAAADAC-MRVPVSSYSA-N 1 0 207.323 2.857 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc21 ZINC000227490804 134381274 /nfs/dbraw/zinc/38/12/74/134381274.db2.gz SGMXAJNPHLBGIU-YDHLFZDLSA-N 1 0 226.323 2.608 10 30 BFEERO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309704930 134479554 /nfs/dbraw/zinc/47/95/54/134479554.db2.gz UYBBXUMRKWYJQS-QWHCGFSZSA-N 1 0 229.339 2.697 10 30 BFEERO CC(C)[C@@H]([NH3+])CCN(C)c1ccc(C#N)cc1F ZINC000133589536 134685398 /nfs/dbraw/zinc/68/53/98/134685398.db2.gz ZKUJVUAVUQZGLL-ZDUSSCGKSA-N 1 0 249.333 2.507 10 30 BFEERO CCO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C#N)C12CCC2 ZINC000250493975 135056459 /nfs/dbraw/zinc/05/64/59/135056459.db2.gz JBGZGJCQGQKYFE-XDQVBPFNSA-N 1 0 248.370 2.616 10 30 BFEERO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251173651 135065510 /nfs/dbraw/zinc/06/55/10/135065510.db2.gz PMQOFCVMRQZXKO-TUAOUCFPSA-N 1 0 206.333 2.847 10 30 BFEERO C=CCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296904090 135193571 /nfs/dbraw/zinc/19/35/71/135193571.db2.gz VYACLVXMFIDADM-CYBMUJFWSA-N 1 0 217.312 2.935 10 30 BFEERO CC[NH+]=C(NC1CCC1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000261752117 135249835 /nfs/dbraw/zinc/24/98/35/135249835.db2.gz NKOAQRNKBYQLHJ-BETUJISGSA-N 1 0 249.402 2.626 10 30 BFEERO Cc1cccc(NC(=[NH2+])N[C@@H]2CC2(C)C)c1 ZINC000261983131 135270039 /nfs/dbraw/zinc/27/00/39/135270039.db2.gz ITXBOQKVEPALKT-LLVKDONJSA-N 1 0 217.316 2.520 10 30 BFEERO Cc1ccc(NC(=[NH2+])N[C@@H]2CC2(C)C)cc1C ZINC000262011967 135272375 /nfs/dbraw/zinc/27/23/75/135272375.db2.gz ULQNAGHMXXLBQL-GFCCVEGCSA-N 1 0 231.343 2.829 10 30 BFEERO CNC(N[C@@H](C)c1ccc(CC(C)C)cc1)=[NH+]C ZINC000262007676 135272586 /nfs/dbraw/zinc/27/25/86/135272586.db2.gz WADOVSIKGHBEMW-LBPRGKRZSA-N 1 0 247.386 2.741 10 30 BFEERO CC[C@@]1(C(C)C)C[C@H]1NC(=[NH2+])NCC1CCC1 ZINC000263123893 135334004 /nfs/dbraw/zinc/33/40/04/135334004.db2.gz MHMAOSTWXZLLKM-OCCSQVGLSA-N 1 0 237.391 2.516 10 30 BFEERO [NH2+]=C(N[C@H]1CCC12CCCC2)NC1CCCC1 ZINC000263295308 135345029 /nfs/dbraw/zinc/34/50/29/135345029.db2.gz XVNHJUJZKJXBKE-LBPRGKRZSA-N 1 0 235.375 2.556 10 30 BFEERO CC1(C)CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2C#N)O1 ZINC000595693582 397994707 /nfs/dbraw/zinc/99/47/07/397994707.db2.gz IYRXXEHDWVFFRT-UPJWGTAASA-N 1 0 236.359 2.616 10 30 BFEERO C#CC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019875490 166190146 /nfs/dbraw/zinc/19/01/46/166190146.db2.gz VTFZOJPQHFCRMU-INIZCTEOSA-N 1 0 237.302 2.704 10 30 BFEERO C=CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000168538779 166266434 /nfs/dbraw/zinc/26/64/34/166266434.db2.gz JOFHHAMAYINSAH-LBPRGKRZSA-N 1 0 203.285 2.545 10 30 BFEERO C=CCN(CC=C)C[C@@H]1CCC[C@H]1[NH2+]CCC ZINC000053866169 166335283 /nfs/dbraw/zinc/33/52/83/166335283.db2.gz NQMUOOTUWATTEG-LSDHHAIUSA-N 1 0 236.403 2.829 10 30 BFEERO C=CC[N@@H+]1CCc2cccc(Cl)c2CC1 ZINC000028002161 166359204 /nfs/dbraw/zinc/35/92/04/166359204.db2.gz IAHLXXAKFXOKST-UHFFFAOYSA-N 1 0 221.731 2.927 10 30 BFEERO C=CC[NH2+]CC[C@@H](O)c1ccc(Cl)s1 ZINC000049822248 166398904 /nfs/dbraw/zinc/39/89/04/166398904.db2.gz LJLGXLSBVHCVHJ-MRVPVSSYSA-N 1 0 231.748 2.601 10 30 BFEERO C=CC[NH2+]CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000095081956 166398985 /nfs/dbraw/zinc/39/89/85/166398985.db2.gz BDWKFFSGYHCLPW-LBPRGKRZSA-N 1 0 246.354 2.914 10 30 BFEERO C=CC[NH2+]CC(=O)Nc1c(C)cccc1C(C)C ZINC000095081779 166399068 /nfs/dbraw/zinc/39/90/68/166399068.db2.gz WEFXQLFAQIZEDH-UHFFFAOYSA-N 1 0 246.354 2.833 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]CC1CCSCC1 ZINC000229255131 411189970 /nfs/dbraw/zinc/18/99/70/411189970.db2.gz PLUDIHOEEULVIV-CHWSQXEVSA-N 1 0 238.400 2.802 10 30 BFEERO CC1([NH2+][C@@H]2CCCC[C@@H]2C#N)CCCC1 ZINC000054826289 168064287 /nfs/dbraw/zinc/06/42/87/168064287.db2.gz OXUDVJSQZJWYFS-VXGBXAGGSA-N 1 0 206.333 2.991 10 30 BFEERO CC1([NH2+][C@@H]2CCCC[C@H]2C#N)CCCC1 ZINC000054826291 168064503 /nfs/dbraw/zinc/06/45/03/168064503.db2.gz OXUDVJSQZJWYFS-NWDGAFQWSA-N 1 0 206.333 2.991 10 30 BFEERO CCOCCC[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127388975 170381464 /nfs/dbraw/zinc/38/14/64/170381464.db2.gz PIYYMBFDPBGAGR-JTQLQIEISA-N 1 0 238.356 2.697 10 30 BFEERO C=CCC1([NH2+]C[C@@H]2CCCN2C)CCCC1 ZINC000661850560 411901650 /nfs/dbraw/zinc/90/16/50/411901650.db2.gz JSOLETABKAHYGE-ZDUSSCGKSA-N 1 0 222.376 2.559 10 30 BFEERO CC[C@@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000042588146 170899986 /nfs/dbraw/zinc/89/99/86/170899986.db2.gz STXMNJBFIVCCLW-CABCVRRESA-N 1 0 246.354 2.616 10 30 BFEERO CC[C@H](C)[N@H+](C)Cc1ccc(C#CCCO)cc1 ZINC000049617177 171307443 /nfs/dbraw/zinc/30/74/43/171307443.db2.gz GSAVFFKYFBECMU-AWEZNQCLSA-N 1 0 245.366 2.651 10 30 BFEERO C[N@@H+]1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000075907070 173007676 /nfs/dbraw/zinc/00/76/76/173007676.db2.gz GSHLTUNMOVRHPU-CYBMUJFWSA-N 1 0 200.285 2.715 10 30 BFEERO C[N@@H+]1CCC[C@@](C#N)(c2ccccc2)CC1 ZINC000001577531 173037467 /nfs/dbraw/zinc/03/74/67/173037467.db2.gz OSTBUYKRALHHBD-CQSZACIVSA-N 1 0 214.312 2.564 10 30 BFEERO C[N@@H+]1CC[C@@H](CNc2cccc(Cl)c2C#N)C1 ZINC000052903748 173118509 /nfs/dbraw/zinc/11/85/09/173118509.db2.gz HYLWKKQFLCNECK-JTQLQIEISA-N 1 0 249.745 2.575 10 30 BFEERO C[NH2+][C@@H]1CCc2c1cccc2OCCCCC#N ZINC000062798978 173438354 /nfs/dbraw/zinc/43/83/54/173438354.db2.gz UYVOEZDPDVNNPB-CQSZACIVSA-N 1 0 244.338 2.966 10 30 BFEERO COc1cc([C@H](C)[NH3+])ccc1OCCCCC#N ZINC000049578179 175015050 /nfs/dbraw/zinc/01/50/50/175015050.db2.gz BRXSBSBENVBAKU-NSHDSACASA-N 1 0 248.326 2.788 10 30 BFEERO C[C@@H]1CCC[C@@H]([N@H+](C)CC[C@@H](C#N)NC2CC2)C1 ZINC000062436691 176121147 /nfs/dbraw/zinc/12/11/47/176121147.db2.gz ADOBVZMOWNZLQP-VHDGCEQUSA-N 1 0 249.402 2.531 10 30 BFEERO C[C@@H]1C[C@@H]1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000104408225 176391822 /nfs/dbraw/zinc/39/18/22/176391822.db2.gz PRYQEPANRJNAPY-TZMCWYRMSA-N 1 0 244.338 2.525 10 30 BFEERO C[C@H]1C[C@@H]1C[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000104408232 177342759 /nfs/dbraw/zinc/34/27/59/177342759.db2.gz PRYQEPANRJNAPY-GXTWGEPZSA-N 1 0 244.338 2.525 10 30 BFEERO C[C@H]1C[C@H]1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000104409422 177379498 /nfs/dbraw/zinc/37/94/98/177379498.db2.gz QCBCXMRQTYBXLC-JQWIXIFHSA-N 1 0 232.302 2.785 10 30 BFEERO CC(C)(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000595702977 487876117 /nfs/dbraw/zinc/87/61/17/487876117.db2.gz ZKGJEEQDWMFHOP-CHWSQXEVSA-N 1 0 238.375 2.864 10 30 BFEERO C=CCCCN1C[C@H]2CCCC[N@H+]2C[C@H]1CC ZINC000305187766 490448218 /nfs/dbraw/zinc/44/82/18/490448218.db2.gz QPOHCJSTSSCDGJ-HUUCEWRRSA-N 1 0 236.403 2.901 10 30 BFEERO CCCCCCCCCC(=O)NC[C@@H]([NH3+])CC ZINC000116308984 519977420 /nfs/dbraw/zinc/97/74/20/519977420.db2.gz KKZDERMWCBIHFI-ZDUSSCGKSA-N 1 0 242.407 2.981 10 30 BFEERO C=CCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000088023490 534719685 /nfs/dbraw/zinc/71/96/85/534719685.db2.gz ARAWTFXRPGJFGD-ZIAGYGMSSA-N 1 0 223.360 2.580 10 30 BFEERO CC[C@@H](CC#N)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000054182473 535726240 /nfs/dbraw/zinc/72/62/40/535726240.db2.gz HDIVTVQHVQZEJR-MNOVXSKESA-N 1 0 248.326 2.744 10 30 BFEERO CCc1cccc(CC)c1NC(=[NH2+])N[C@H]1C[C@H]1C ZINC000261997694 535877250 /nfs/dbraw/zinc/87/72/50/535877250.db2.gz OMVZEYVLTZZSMT-MFKMUULPSA-N 1 0 245.370 2.946 10 30 BFEERO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000308916022 632428602 /nfs/dbraw/zinc/42/86/02/632428602.db2.gz BEYFSRYUJCSYPD-GHMZBOCLSA-N 1 0 225.357 2.644 10 30 BFEERO N#Cc1cc(Cl)ccc1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000310534511 632756164 /nfs/dbraw/zinc/75/61/64/632756164.db2.gz OWQUGZOPSFHTTH-JOYOIKCWSA-N 1 0 249.745 2.751 10 30 BFEERO C=CCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000227599910 634213989 /nfs/dbraw/zinc/21/39/89/634213989.db2.gz WRRTWADDZSTHSE-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO C#CCCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000224309865 640610589 /nfs/dbraw/zinc/61/05/89/640610589.db2.gz XFTZQALJWWHIIC-LLVKDONJSA-N 1 0 233.359 2.584 10 30 BFEERO C#CCC[NH2+]Cc1cccc(OCCC)c1 ZINC000069768414 642904197 /nfs/dbraw/zinc/90/41/97/642904197.db2.gz QHGFTLGDZOCCOM-UHFFFAOYSA-N 1 0 217.312 2.588 10 30 BFEERO C#CCC[NH2+]Cc1ccccc1OC(F)(F)F ZINC000070245795 643005674 /nfs/dbraw/zinc/00/56/74/643005674.db2.gz KEFCGSWJRRRQTM-UHFFFAOYSA-N 1 0 243.228 2.698 10 30 BFEERO CC1(C[NH2+][C@H]2CCC[C@@H]2C#N)CCCC1 ZINC000082637477 643521295 /nfs/dbraw/zinc/52/12/95/643521295.db2.gz FZHQNTQDDRCXMX-NEPJUHHUSA-N 1 0 206.333 2.849 10 30 BFEERO CC1(C[NH2+][C@@H]2CCC[C@H]2C#N)CCCC1 ZINC000082637481 643521900 /nfs/dbraw/zinc/52/19/00/643521900.db2.gz FZHQNTQDDRCXMX-NWDGAFQWSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000712654716 712440070 /nfs/dbraw/zinc/44/00/70/712440070.db2.gz WWTOGZSZIQSSDU-RFGFWPKPSA-N 1 0 218.344 2.704 10 30 BFEERO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C#N)C12CCC2 ZINC000713487732 712462051 /nfs/dbraw/zinc/46/20/51/712462051.db2.gz IUGRUXLZUGTISP-XDQVBPFNSA-N 1 0 248.370 2.616 10 30 BFEERO C=C/C=C/CC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000713501814 712463606 /nfs/dbraw/zinc/46/36/06/712463606.db2.gz LZVLHYJKNKXJRW-HORCIZIBSA-N 1 0 204.317 2.791 10 30 BFEERO Cc1ccc(C#N)c(N[C@H](C)C[NH+]2CCCC2)c1 ZINC000051579819 178365258 /nfs/dbraw/zinc/36/52/58/178365258.db2.gz SXMXBKWGWKNCJA-CYBMUJFWSA-N 1 0 243.354 2.763 10 30 BFEERO C[C@@H]([NH3+])C[C@@H](C)Nc1cc(Cl)ccc1C#N ZINC000320507112 342733329 /nfs/dbraw/zinc/73/33/29/342733329.db2.gz KVUXMNRSFPNZFH-RKDXNWHRSA-N 1 0 237.734 2.749 10 30 BFEERO C[C@@H]([NH3+])C[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000320507109 342733551 /nfs/dbraw/zinc/73/35/51/342733551.db2.gz KVUXMNRSFPNZFH-BDAKNGLRSA-N 1 0 237.734 2.749 10 30 BFEERO C#C[C@H](C)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000166382706 398298606 /nfs/dbraw/zinc/29/86/06/398298606.db2.gz BLECCJUJSGVUIB-GRTSSRMGSA-N 1 0 213.324 2.852 10 30 BFEERO C=C(CC)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000313488022 259335799 /nfs/dbraw/zinc/33/57/99/259335799.db2.gz ZRDDETFPGQKJEV-CYBMUJFWSA-N 1 0 217.312 2.935 10 30 BFEERO O=CCC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036456893 343319293 /nfs/dbraw/zinc/31/92/93/343319293.db2.gz QEIHOCXNVUKYDB-OAHLLOKOSA-N 1 0 231.339 2.878 10 30 BFEERO CC(C)N/C(=[NH+]\C(C)C)OCc1ccccc1 ZINC000038284493 343373166 /nfs/dbraw/zinc/37/31/66/343373166.db2.gz HTJDVAQGUYGUON-UHFFFAOYSA-N 1 0 234.343 2.966 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000054829573 136373139 /nfs/dbraw/zinc/37/31/39/136373139.db2.gz FMBJKTYVPDQJAZ-DZGCQCFKSA-N 1 0 244.338 2.737 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCOc1ccccc1 ZINC000054829572 136373231 /nfs/dbraw/zinc/37/32/31/136373231.db2.gz FMBJKTYVPDQJAZ-HIFRSBDPSA-N 1 0 244.338 2.737 10 30 BFEERO C#CCC[C@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300926963 343497814 /nfs/dbraw/zinc/49/78/14/343497814.db2.gz QJWKNSVTFXOZFG-ZJUUUORDSA-N 1 0 201.260 2.553 10 30 BFEERO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000334212981 343839375 /nfs/dbraw/zinc/83/93/75/343839375.db2.gz DCDUMAOPUDXFRE-ZIAGYGMSSA-N 1 0 212.296 2.543 10 30 BFEERO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000334766137 343905589 /nfs/dbraw/zinc/90/55/89/343905589.db2.gz UOLSNEHLIGJGPD-TZMCWYRMSA-N 1 0 242.322 2.551 10 30 BFEERO C=CCC[C@H](CCC)[NH2+][C@@H]1CCO[C@@H]1C ZINC000090940197 343946342 /nfs/dbraw/zinc/94/63/42/343946342.db2.gz GSHDIUIUFIOYRV-FRRDWIJNSA-N 1 0 211.349 2.888 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000054823885 344457726 /nfs/dbraw/zinc/45/77/26/344457726.db2.gz VYDZXHAKFVPBTB-LSDHHAIUSA-N 1 0 228.339 2.901 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]C1CCSCC1 ZINC000220722167 344573527 /nfs/dbraw/zinc/57/35/27/344573527.db2.gz RFCODXMIHVGMMW-PWSUYJOCSA-N 1 0 224.373 2.554 10 30 BFEERO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000087607127 534983078 /nfs/dbraw/zinc/98/30/78/534983078.db2.gz SNAABIUSUUYZPC-ZDUSSCGKSA-N 1 0 238.375 2.553 10 30 BFEERO C#CC[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000155294691 345072828 /nfs/dbraw/zinc/07/28/28/345072828.db2.gz XATRCBITHHJVRB-JSGCOSHPSA-N 1 0 229.323 2.506 10 30 BFEERO C#CC[N@@H+]1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000155294582 345075879 /nfs/dbraw/zinc/07/58/79/345075879.db2.gz XATRCBITHHJVRB-OCCSQVGLSA-N 1 0 229.323 2.506 10 30 BFEERO C[NH2+]CC#Cc1cc(C)c(Cl)cc1C ZINC000229458350 345621666 /nfs/dbraw/zinc/62/16/66/345621666.db2.gz OHZSLNWFQMCSPK-UHFFFAOYSA-N 1 0 207.704 2.528 10 30 BFEERO C=CCC[C@@H]([NH3+])c1cccc(OC)c1OC ZINC000163376149 345763908 /nfs/dbraw/zinc/76/39/08/345763908.db2.gz YAOAVLWIYYOXDC-LLVKDONJSA-N 1 0 221.300 2.670 10 30 BFEERO Cc1ccc([C@H]([C@H](C)[NH3+])N(C)[C@@H](C)CC#N)cc1 ZINC000063085223 178918344 /nfs/dbraw/zinc/91/83/44/178918344.db2.gz VCBMZKHADSBONT-YDHLFZDLSA-N 1 0 245.370 2.617 10 30 BFEERO O=CCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000034566819 345832148 /nfs/dbraw/zinc/83/21/48/345832148.db2.gz UQBIONUYOIPRBJ-UHFFFAOYSA-N 1 0 231.339 2.878 10 30 BFEERO C[C@H]([NH3+])C#Cc1cc(Cl)ccc1Cl ZINC000166986555 346176590 /nfs/dbraw/zinc/17/65/90/346176590.db2.gz JTAOUZTZSXHLFX-ZETCQYMHSA-N 1 0 214.095 2.692 10 30 BFEERO C[C@@H]([NH3+])C#Cc1cccc2ccsc21 ZINC000167006621 346178978 /nfs/dbraw/zinc/17/89/78/346178978.db2.gz ZGZPOBBUYBREJO-SECBINFHSA-N 1 0 201.294 2.600 10 30 BFEERO C[C@H]([NH3+])C#Cc1ccc(Cl)c(Cl)c1 ZINC000166989900 346179926 /nfs/dbraw/zinc/17/99/26/346179926.db2.gz ADLYGVQDBAZJNO-ZETCQYMHSA-N 1 0 214.095 2.692 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309517782 347090926 /nfs/dbraw/zinc/09/09/26/347090926.db2.gz SGNBMSGLHHJUOA-XUXIUFHCSA-N 1 0 218.344 2.847 10 30 BFEERO C=C[C@H]([NH3+])c1cccc(Br)c1C ZINC000161706388 346497021 /nfs/dbraw/zinc/49/70/21/346497021.db2.gz XEVGQRZTEFNESW-JTQLQIEISA-N 1 0 226.117 2.943 10 30 BFEERO Cc1cccc2c1CC[NH2+][C@H]2CCS ZINC000083731677 179214432 /nfs/dbraw/zinc/21/44/32/179214432.db2.gz FAGLPKGYRHSQNL-LBPRGKRZSA-N 1 0 207.342 2.502 10 30 BFEERO N#Cc1cc(C[NH2+]C2(C3CCC3)CCC2)ccn1 ZINC000590972786 347598505 /nfs/dbraw/zinc/59/85/05/347598505.db2.gz QFRZTARLLBMMDK-UHFFFAOYSA-N 1 0 241.338 2.766 10 30 BFEERO CC1([NH3+])CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000591434665 347659936 /nfs/dbraw/zinc/65/99/36/347659936.db2.gz IPLADMRBLFSZCZ-UHFFFAOYSA-N 1 0 249.745 2.529 10 30 BFEERO C#CCOc1c(C[NH2+][C@H](C)CC)cccc1OC ZINC000045945797 187395239 /nfs/dbraw/zinc/39/52/39/187395239.db2.gz YPHGGYKGNZVVLW-GFCCVEGCSA-N 1 0 247.338 2.595 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000597081636 348658486 /nfs/dbraw/zinc/65/84/86/348658486.db2.gz CFTYRDOXNBXCIY-SRVKXCTJSA-N 1 0 204.317 2.601 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000597195429 348672428 /nfs/dbraw/zinc/67/24/28/348672428.db2.gz IDJBVOPKYILKDM-WCQYABFASA-N 1 0 218.344 2.991 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000597195251 348672546 /nfs/dbraw/zinc/67/25/46/348672546.db2.gz FJYAHATWKIWHDY-XQQFMLRXSA-N 1 0 238.400 2.944 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC12CC2 ZINC000597197393 348673607 /nfs/dbraw/zinc/67/36/07/348673607.db2.gz XCQYVYVWZQOGKW-AVGNSLFASA-N 1 0 218.344 2.991 10 30 BFEERO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC=C[C@H]23)cc1 ZINC000037748453 187424317 /nfs/dbraw/zinc/42/43/17/187424317.db2.gz BSPKGAXMGKZQAA-SOUVJXGZSA-N 1 0 224.307 2.612 10 30 BFEERO CC1(C)CC(C[NH2+][C@H]2CCC[C@H]2C#N)C1 ZINC000599415560 349167296 /nfs/dbraw/zinc/16/72/96/349167296.db2.gz MORDTWZKOSXFIE-RYUDHWBXSA-N 1 0 206.333 2.704 10 30 BFEERO CC#CC[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000051665081 350022522 /nfs/dbraw/zinc/02/25/22/350022522.db2.gz VPIALJDMNRHMNX-LBPRGKRZSA-N 1 0 207.704 2.623 10 30 BFEERO [NH2+]=C(Nc1cccc(Cl)c1F)C1CC1 ZINC000062989455 350100178 /nfs/dbraw/zinc/10/01/78/350100178.db2.gz BWUGPUQFPNQUTQ-UHFFFAOYSA-N 1 0 212.655 2.878 10 30 BFEERO C=C[C@H]([NH3+])c1cc(F)c(Cl)cc1F ZINC000161709831 350575923 /nfs/dbraw/zinc/57/59/23/350575923.db2.gz WVUSBORSLXGRTN-VIFPVBQESA-N 1 0 203.619 2.804 10 30 BFEERO C=CCOc1ccc(C[C@H]([NH3+])CC)cc1OC ZINC000037727277 187462415 /nfs/dbraw/zinc/46/24/15/187462415.db2.gz UOBFGIWFVXQWCZ-GFCCVEGCSA-N 1 0 235.327 2.540 10 30 BFEERO C=C(C)COc1ccc(OC)cc1C[C@@H]([NH3+])CC ZINC000037722750 187462744 /nfs/dbraw/zinc/46/27/44/187462744.db2.gz DCLJZCBGGQWVDH-ZDUSSCGKSA-N 1 0 249.354 2.930 10 30 BFEERO C=C(C)COc1ccc(C[C@@H](C)[NH3+])cc1OCC ZINC000037726090 187463069 /nfs/dbraw/zinc/46/30/69/187463069.db2.gz ATXVZZVWJPBJMJ-GFCCVEGCSA-N 1 0 249.354 2.930 10 30 BFEERO CC[N@@H+]1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616607576 350800867 /nfs/dbraw/zinc/80/08/67/350800867.db2.gz VKHMRXAWAICYDO-ZDUSSCGKSA-N 1 0 200.285 2.715 10 30 BFEERO CCNC(=[NH2+])Nc1cc(Cl)cc(Cl)c1 ZINC000052069464 350902310 /nfs/dbraw/zinc/90/23/10/350902310.db2.gz LRZTVNKKBJYGHE-UHFFFAOYSA-N 1 0 232.114 2.549 10 30 BFEERO N#CC[C@@H]1CCC[N@H+](C[C@H]2Cc3ccccc32)C1 ZINC000397559913 350916513 /nfs/dbraw/zinc/91/65/13/350916513.db2.gz AAUBAVBBBOXMBA-DZGCQCFKSA-N 1 0 240.350 2.952 10 30 BFEERO C=CCC[C@H]([NH3+])c1c(OC)cccc1OC ZINC000128957643 350919047 /nfs/dbraw/zinc/91/90/47/350919047.db2.gz FULOTGOEZKOUEH-JTQLQIEISA-N 1 0 221.300 2.670 10 30 BFEERO CCCCCCCCC[C@@H](O)[C@H](C)[NH3+] ZINC000049867818 168650994 /nfs/dbraw/zinc/65/09/94/168650994.db2.gz AGYWAEBSOUKZJQ-NWDGAFQWSA-N 1 0 201.354 2.835 10 30 BFEERO C=C(c1ccc(C[NH3+])s1)C(F)(F)F ZINC000306832087 351144754 /nfs/dbraw/zinc/14/47/54/351144754.db2.gz NQJIDALFUXQPNF-UHFFFAOYSA-N 1 0 207.220 2.782 10 30 BFEERO C=CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000036721056 358462694 /nfs/dbraw/zinc/46/26/94/358462694.db2.gz JEQQAOCXMSTHOP-LBPRGKRZSA-N 1 0 220.272 2.822 10 30 BFEERO C=CC[NH+](CC=C)C[C@@](C)(CO)c1ccccc1 ZINC000051293130 166334897 /nfs/dbraw/zinc/33/48/97/166334897.db2.gz QDAZLOVARDHZDS-INIZCTEOSA-N 1 0 245.366 2.611 10 30 BFEERO CC(C)(C)C#CC[C@]1(C[NH3+])CCCS1 ZINC000307173224 351563760 /nfs/dbraw/zinc/56/37/60/351563760.db2.gz OHDOGFKLLJWYCT-GFCCVEGCSA-N 1 0 211.374 2.651 10 30 BFEERO CC(C)(C)C#CC[C@@]1(C[NH3+])CCCS1 ZINC000307173226 351564046 /nfs/dbraw/zinc/56/40/46/351564046.db2.gz OHDOGFKLLJWYCT-LBPRGKRZSA-N 1 0 211.374 2.651 10 30 BFEERO C=CCN(CC=C)Cc1ccoc1C[NH2+]CC ZINC000052376488 166337726 /nfs/dbraw/zinc/33/77/26/166337726.db2.gz UOJHGSVTEJZWQW-UHFFFAOYSA-N 1 0 234.343 2.563 10 30 BFEERO C#CC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000019875331 188059024 /nfs/dbraw/zinc/05/90/24/188059024.db2.gz RYJIWUDAUTYRFR-UHFFFAOYSA-N 1 0 225.291 2.571 10 30 BFEERO C=C1C=C2c3cccc4c3[C@@H](CN4)C[C@H]2[N@H+](C)C1 ZINC000029321387 188059453 /nfs/dbraw/zinc/05/94/53/188059453.db2.gz WKWHXIUYPMGHGJ-IAQYHMDHSA-N 1 0 238.334 2.853 10 30 BFEERO C=C(C)C[N@@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000171651387 188079800 /nfs/dbraw/zinc/07/98/00/188079800.db2.gz CKBHQIJUWIOSPD-AWEZNQCLSA-N 1 0 245.370 2.700 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000051074567 353173500 /nfs/dbraw/zinc/17/35/00/353173500.db2.gz CHXOUCCTJNOOAX-LLVKDONJSA-N 1 0 238.128 2.733 10 30 BFEERO CC(C)[N@H+](CCCO)[C@H]1CCCCC[C@@H]1C#N ZINC000042504311 188120721 /nfs/dbraw/zinc/12/07/21/188120721.db2.gz XOBHKMUXGBFLQI-KGLIPLIRSA-N 1 0 238.375 2.552 10 30 BFEERO C=C(Br)C[NH2+]CC1CCCC1 ZINC000037681263 188152639 /nfs/dbraw/zinc/15/26/39/188152639.db2.gz BADQEGLUPRHREF-UHFFFAOYSA-N 1 0 218.138 2.675 10 30 BFEERO C=CC[NH2+]C[C@H](C)Oc1ccccc1CC=C ZINC000053588947 188220136 /nfs/dbraw/zinc/22/01/36/188220136.db2.gz UOOFZGQHNFJOLN-ZDUSSCGKSA-N 1 0 231.339 2.958 10 30 BFEERO C=C(C)COc1ccc(C[C@H](C)[NH2+]C)cc1 ZINC000071444179 188221079 /nfs/dbraw/zinc/22/10/79/188221079.db2.gz NVXSLBDSGXOKKD-LBPRGKRZSA-N 1 0 219.328 2.792 10 30 BFEERO CC#CCOc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406906 188221399 /nfs/dbraw/zinc/22/13/99/188221399.db2.gz LJVCSPWJYVJZSP-UHFFFAOYSA-N 1 0 229.323 2.649 10 30 BFEERO C=C[C@H]1[NH2+]CCc2cc(Cl)cc(F)c21 ZINC000075737340 188221745 /nfs/dbraw/zinc/22/17/45/188221745.db2.gz RTQVSZNATLNWKI-SNVBAGLBSA-N 1 0 211.667 2.852 10 30 BFEERO CC#CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000128965760 353306956 /nfs/dbraw/zinc/30/69/56/353306956.db2.gz SVOXHCHXAFXJRY-UHFFFAOYSA-N 1 0 246.329 2.725 10 30 BFEERO CCCC[C@@H](C[NH3+])Nc1ccc(C#N)cc1F ZINC000130545400 363240239 /nfs/dbraw/zinc/24/02/39/363240239.db2.gz OEKGVYVHLSAQOF-NSHDSACASA-N 1 0 235.306 2.627 10 30 BFEERO C=CCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000296904096 353836517 /nfs/dbraw/zinc/83/65/17/353836517.db2.gz VYACLVXMFIDADM-ZDUSSCGKSA-N 1 0 217.312 2.935 10 30 BFEERO CCCC[C@H](C[NH3+])Nc1ccc(F)cc1C#N ZINC000130566044 363292826 /nfs/dbraw/zinc/29/28/26/363292826.db2.gz UCBNWZNEGTWPHB-GFCCVEGCSA-N 1 0 235.306 2.627 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccs1 ZINC000054824871 181058719 /nfs/dbraw/zinc/05/87/19/181058719.db2.gz VDRIRVKFPJUUMY-CMPLNLGQSA-N 1 0 220.341 2.920 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000054827427 181058976 /nfs/dbraw/zinc/05/89/76/181058976.db2.gz VMJZVOHHSHGWQF-DZGCQCFKSA-N 1 0 244.338 2.737 10 30 BFEERO N#C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1cccnc1 ZINC000054825556 181059145 /nfs/dbraw/zinc/05/91/45/181059145.db2.gz GBDWSBFTRGPPRU-GJZGRUSLSA-N 1 0 243.354 2.686 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000054823882 181060101 /nfs/dbraw/zinc/06/01/01/181060101.db2.gz REFBXKLUUAWWGE-KBPBESRZSA-N 1 0 214.312 2.511 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000054826565 181060214 /nfs/dbraw/zinc/06/02/14/181060214.db2.gz JMYUXRINLAENDV-NWDGAFQWSA-N 1 0 220.341 2.572 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccs1 ZINC000054824870 181067703 /nfs/dbraw/zinc/06/77/03/181067703.db2.gz VDRIRVKFPJUUMY-PWSUYJOCSA-N 1 0 220.341 2.920 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000054823879 181070078 /nfs/dbraw/zinc/07/00/78/181070078.db2.gz REFBXKLUUAWWGE-ZIAGYGMSSA-N 1 0 214.312 2.511 10 30 BFEERO N#Cc1cc(Cl)ccc1NC[C@H]1CCCC[NH2+]1 ZINC000052858730 181087287 /nfs/dbraw/zinc/08/72/87/181087287.db2.gz BFMDTJQLIZGQFY-GFCCVEGCSA-N 1 0 249.745 2.766 10 30 BFEERO N#Cc1ccc(F)c(C[NH2+]CC2CCC2)c1 ZINC000037180664 181113129 /nfs/dbraw/zinc/11/31/29/181113129.db2.gz ZPBLXADDPQLFCG-UHFFFAOYSA-N 1 0 218.275 2.587 10 30 BFEERO N#Cc1ccc(N[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000063214737 181125016 /nfs/dbraw/zinc/12/50/16/181125016.db2.gz NSYIZPVKUDJVIX-UONOGXRCSA-N 1 0 229.327 2.630 10 30 BFEERO N#Cc1cccc(O[C@H](C[NH3+])c2ccccc2)c1 ZINC000042899899 181142426 /nfs/dbraw/zinc/14/24/26/181142426.db2.gz YKBQUZORGMLAML-OAHLLOKOSA-N 1 0 238.290 2.637 10 30 BFEERO C#CC[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000166428567 355423590 /nfs/dbraw/zinc/42/35/90/355423590.db2.gz NNJCEAOKSDVBNO-KBPBESRZSA-N 1 0 217.287 2.685 10 30 BFEERO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCCS1 ZINC000087793447 355856109 /nfs/dbraw/zinc/85/61/09/355856109.db2.gz ZWOJFRCDGRWEFA-JHJVBQTASA-N 1 0 238.400 2.944 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000168607315 356454205 /nfs/dbraw/zinc/45/42/05/356454205.db2.gz JQRGYMAHVCASDQ-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)C[C@H]1C ZINC000336196940 134126690 /nfs/dbraw/zinc/12/66/90/134126690.db2.gz FUZGHWMVPKJLEF-VXGBXAGGSA-N 1 0 206.333 2.658 10 30 BFEERO CCC1CCC([C@@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059183 538483952 /nfs/dbraw/zinc/48/39/52/538483952.db2.gz BPLACPPIWOFFCJ-YIOUJQMASA-N 1 0 223.360 2.627 10 30 BFEERO CC1(C)CCC([C@H]2C[NH2+]C[C@H](C=O)C2)CC1 ZINC000675059666 538484864 /nfs/dbraw/zinc/48/48/64/538484864.db2.gz KWABNQBBOLSVMG-DGCLKSJQSA-N 1 0 223.360 2.627 10 30 BFEERO C#CC[C@H]([NH3+])c1cc(C)ccc1Br ZINC000168686234 357070487 /nfs/dbraw/zinc/07/04/87/357070487.db2.gz OPAYNSRCTSGTQV-NSHDSACASA-N 1 0 238.128 2.781 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000168667063 357187666 /nfs/dbraw/zinc/18/76/66/357187666.db2.gz CPPCGJVPKNVTMS-LLVKDONJSA-N 1 0 238.128 2.781 10 30 BFEERO C=CCCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000398022905 357829784 /nfs/dbraw/zinc/82/97/84/357829784.db2.gz FIAIPJVYSAQITE-JHJVBQTASA-N 1 0 211.349 2.624 10 30 BFEERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000130546814 358631631 /nfs/dbraw/zinc/63/16/31/358631631.db2.gz KMYBTVMJXDRQJK-KYOSRNDESA-N 1 0 244.338 2.605 10 30 BFEERO N#C[C@]1(CC=C(Cl)Cl)CCC[NH2+]C1 ZINC000403372833 359553536 /nfs/dbraw/zinc/55/35/36/359553536.db2.gz OTJRTQAPSLFBCD-SECBINFHSA-N 1 0 219.115 2.589 10 30 BFEERO CC(C)C1(C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000224434672 359681401 /nfs/dbraw/zinc/68/14/01/359681401.db2.gz FOSSZSQIAYLJOE-NWDGAFQWSA-N 1 0 206.333 2.704 10 30 BFEERO C#CCOc1cccc(C[NH2+]CCCC)c1 ZINC000045945601 359745451 /nfs/dbraw/zinc/74/54/51/359745451.db2.gz QZZNUMFWKPCRSM-UHFFFAOYSA-N 1 0 217.312 2.588 10 30 BFEERO CC(C)(CS)C[N@@H+]1CC2CCC1CC2 ZINC000306486271 360162104 /nfs/dbraw/zinc/16/21/04/360162104.db2.gz HYZCFCRMNJTQPR-UHFFFAOYSA-N 1 0 213.390 2.817 10 30 BFEERO C=CC[C@H]([NH3+])c1coc(Br)c1 ZINC000306509367 360325233 /nfs/dbraw/zinc/32/52/33/360325233.db2.gz BRIBRWPIXBQZDZ-ZETCQYMHSA-N 1 0 216.078 2.618 10 30 BFEERO C=C(Br)C[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000306520801 360357611 /nfs/dbraw/zinc/35/76/11/360357611.db2.gz FGZVAQWVTMDHAR-YUMQZZPRSA-N 1 0 232.165 2.919 10 30 BFEERO CN(Cc1ccccc1)C[C@@H](C#N)C1CC1 ZINC000306574833 360464337 /nfs/dbraw/zinc/46/43/37/360464337.db2.gz IUDXJEFQQIRPCJ-CQSZACIVSA-N 1 0 214.312 2.668 10 30 BFEERO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248492344 325610354 /nfs/dbraw/zinc/61/03/54/325610354.db2.gz JHKXQAPPJINSOH-UPJWGTAASA-N 1 0 225.376 2.728 10 30 BFEERO C=C[C@@H]([NH3+])c1cc(F)c(F)cc1Br ZINC000238568010 361153553 /nfs/dbraw/zinc/15/35/53/361153553.db2.gz LZRQXVNFACUIGX-SECBINFHSA-N 1 0 248.070 2.913 10 30 BFEERO C=CC(C)(C)CC[NH2+]C[C@H](O)C(C)(C)C ZINC000629587198 361475925 /nfs/dbraw/zinc/47/59/25/361475925.db2.gz GKGLPFSBAKMXAT-NSHDSACASA-N 1 0 213.365 2.585 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000309957832 491158953 /nfs/dbraw/zinc/15/89/53/491158953.db2.gz JLHFMUJGGCHKIV-RFQIPJPRSA-N 1 0 224.392 2.517 10 30 BFEERO [NH3+]CC#Cc1ccc(OC2CCCCC2)cc1 ZINC000037547923 181346394 /nfs/dbraw/zinc/34/63/94/181346394.db2.gz RWEVTMFEDJFONC-UHFFFAOYSA-N 1 0 229.323 2.708 10 30 BFEERO CN(C)/C=[NH+]\Cc1ccccc1OC(F)(F)F ZINC000066032859 364378689 /nfs/dbraw/zinc/37/86/89/364378689.db2.gz KDGFCKNYXGAXCE-NVNXTCNLSA-N 1 0 246.232 2.675 10 30 BFEERO [NH3+]CC#Cc1ccccc1OCc1ccccc1 ZINC000037653981 364436030 /nfs/dbraw/zinc/43/60/30/364436030.db2.gz RXTHWKGTWFEAND-UHFFFAOYSA-N 1 0 237.302 2.576 10 30 BFEERO C=CCCC[C@@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000340912144 365507618 /nfs/dbraw/zinc/50/76/18/365507618.db2.gz MYJXLCQHOZAWJK-KGLIPLIRSA-N 1 0 222.376 2.511 10 30 BFEERO C=CCCC[C@H](C)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000340912145 365507748 /nfs/dbraw/zinc/50/77/48/365507748.db2.gz MYJXLCQHOZAWJK-UONOGXRCSA-N 1 0 222.376 2.511 10 30 BFEERO C=CCCC[C@H](C)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000340912140 365507870 /nfs/dbraw/zinc/50/78/70/365507870.db2.gz MYJXLCQHOZAWJK-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO COc1ccc([C@H](C)C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183835769 367051701 /nfs/dbraw/zinc/05/17/01/367051701.db2.gz DWCSQXLVDWLTQK-NWDGAFQWSA-N 1 0 232.327 2.548 10 30 BFEERO C=CCC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000384094315 367672272 /nfs/dbraw/zinc/67/22/72/367672272.db2.gz ZMHASMJDCKCWAU-XQQFMLRXSA-N 1 0 237.387 2.992 10 30 BFEERO C=CCC(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000384094317 367672445 /nfs/dbraw/zinc/67/24/45/367672445.db2.gz ZMHASMJDCKCWAU-YNEHKIRRSA-N 1 0 237.387 2.992 10 30 BFEERO C[C@@H]1[C@@H](O)CCC[N@@H+]1CCCCC(C)(C)C#N ZINC000385150501 367802881 /nfs/dbraw/zinc/80/28/81/367802881.db2.gz JZDGCXPNBIEWOG-OLZOCXBDSA-N 1 0 238.375 2.552 10 30 BFEERO CCC[NH+]1CCC(N[C@H]2CCCC[C@@H]2C#N)CC1 ZINC000054827107 369100901 /nfs/dbraw/zinc/10/09/01/369100901.db2.gz YPMJRQBMOAVHPR-HIFRSBDPSA-N 1 0 249.402 2.533 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403793234 369411235 /nfs/dbraw/zinc/41/12/35/369411235.db2.gz BWTQDQZZOLQBQI-HTOAHKCRSA-N 1 0 218.344 2.704 10 30 BFEERO C[C@H]1CC[C@H](Nc2ccc(Cl)cc2C#N)C[NH2+]1 ZINC000600955647 369578347 /nfs/dbraw/zinc/57/83/47/369578347.db2.gz PJZRDRODCZCDLJ-CABZTGNLSA-N 1 0 249.745 2.764 10 30 BFEERO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CCCS1 ZINC000250821201 369600320 /nfs/dbraw/zinc/60/03/20/369600320.db2.gz ZWOJFRCDGRWEFA-YNEHKIRRSA-N 1 0 238.400 2.944 10 30 BFEERO C[C@H](C[NH2+][C@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000251123598 369673959 /nfs/dbraw/zinc/67/39/59/369673959.db2.gz RREOKMCMAWLXDR-WOPDTQHZSA-N 1 0 208.349 2.950 10 30 BFEERO C[C@H](Cc1cccs1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000251798829 369971032 /nfs/dbraw/zinc/97/10/32/369971032.db2.gz XUPZIZDOUNPMMQ-NTZNESFSSA-N 1 0 234.368 2.961 10 30 BFEERO Cc1nc(CC[NH2+][C@H]2CCCC[C@@H]2C#N)cs1 ZINC000226384922 371658367 /nfs/dbraw/zinc/65/83/67/371658367.db2.gz XGURDSHTPICMQX-YPMHNXCESA-N 1 0 249.383 2.666 10 30 BFEERO C#CCC[C@@H]([NH3+])c1csc(Br)c1 ZINC000163067536 371923594 /nfs/dbraw/zinc/92/35/94/371923594.db2.gz GSUYTOJBWKRHRO-MRVPVSSYSA-N 1 0 244.157 2.924 10 30 BFEERO C#CCC[C@H]([NH3+])c1csc(Br)c1 ZINC000163067416 371923704 /nfs/dbraw/zinc/92/37/04/371923704.db2.gz GSUYTOJBWKRHRO-QMMMGPOBSA-N 1 0 244.157 2.924 10 30 BFEERO C=C(C)C[C@H]([NH3+])[C@H]1SCCS[C@@H]1C ZINC000228110189 371991147 /nfs/dbraw/zinc/99/11/47/371991147.db2.gz UXXUGYLEOFUBRE-UTLUCORTSA-N 1 0 217.403 2.517 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC1CCC1 ZINC000229096142 372118192 /nfs/dbraw/zinc/11/81/92/372118192.db2.gz QVOJSPSAOFWDSR-OLZOCXBDSA-N 1 0 206.333 2.849 10 30 BFEERO C#C[C@H](C)[NH2+][C@@H]1CCCc2sccc21 ZINC000229529189 372160883 /nfs/dbraw/zinc/16/08/83/372160883.db2.gz MXSZYCSMYCFVLL-GXSJLCMTSA-N 1 0 205.326 2.737 10 30 BFEERO C#CC(C)(C)[NH2+]Cc1cc(C)sc1C ZINC000069678939 373583735 /nfs/dbraw/zinc/58/37/35/373583735.db2.gz RYTCNXAEHGSCMF-UHFFFAOYSA-N 1 0 207.342 2.866 10 30 BFEERO CCC[NH2+][C@@H]1CCC2=C(CCCC2=O)C1 ZINC000091366512 169281954 /nfs/dbraw/zinc/28/19/54/169281954.db2.gz VUYDYOIDCWUAEU-LLVKDONJSA-N 1 0 207.317 2.588 10 30 BFEERO CCC[C@@H](C)[N@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049613211 169365615 /nfs/dbraw/zinc/36/56/15/169365615.db2.gz MSRGZGKQJIVVGQ-CQSZACIVSA-N 1 0 245.366 2.651 10 30 BFEERO CCC[N+]1(C)CCC(C=O)(c2ccccc2)CC1 ZINC000033638684 169559870 /nfs/dbraw/zinc/55/98/70/169559870.db2.gz BAHGSUWWEXARFV-UHFFFAOYSA-N 1 0 246.374 2.774 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000226616761 134367979 /nfs/dbraw/zinc/36/79/79/134367979.db2.gz PKELCYSXCBQHCO-FRRDWIJNSA-N 1 0 204.317 2.625 10 30 BFEERO CCO[C@H](C(=[NH2+])NCC(C)C)c1ccccc1 ZINC000001997994 383942834 /nfs/dbraw/zinc/94/28/34/383942834.db2.gz AHPHLPLQJGQPRL-ZDUSSCGKSA-N 1 0 234.343 2.777 10 30 BFEERO N#CCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC000091301636 384115334 /nfs/dbraw/zinc/11/53/34/384115334.db2.gz NHZSDJOCKOMYME-UHFFFAOYSA-N 1 0 212.296 2.732 10 30 BFEERO CCN/C(=[NH+]\CC)SCC(F)(F)C(F)F ZINC000074942621 384315058 /nfs/dbraw/zinc/31/50/58/384315058.db2.gz KFBOGQLLIANNMS-UHFFFAOYSA-N 1 0 246.273 2.605 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000165051612 384371292 /nfs/dbraw/zinc/37/12/92/384371292.db2.gz AIULVMXQMKVTMT-UONOGXRCSA-N 1 0 214.312 2.836 10 30 BFEERO C=C(C[NH2+]Cc1cnn(C)c1C)c1ccccc1 ZINC000229806321 384436366 /nfs/dbraw/zinc/43/63/66/384436366.db2.gz OFINTDBGNILJJR-UHFFFAOYSA-N 1 0 241.338 2.532 10 30 BFEERO [NH3+]Cc1cccc(C#Cc2ccccc2)c1 ZINC000201562680 384684776 /nfs/dbraw/zinc/68/47/76/384684776.db2.gz JJMYDBYPWQZEEW-UHFFFAOYSA-N 1 0 207.276 2.545 10 30 BFEERO Cc1cnn([C@@H]2CCC[N@H+](CCCCC#N)C2)c1 ZINC000105901719 384887705 /nfs/dbraw/zinc/88/77/05/384887705.db2.gz OESDXLOUNZAXEX-CQSZACIVSA-N 1 0 246.358 2.522 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309543901 385109762 /nfs/dbraw/zinc/10/97/62/385109762.db2.gz YZTUKCAFAVXMRM-AAEUAGOBSA-N 1 0 218.344 2.991 10 30 BFEERO CCc1ccc([C@H](C)NCCC#N)cc1 ZINC000020199977 385423220 /nfs/dbraw/zinc/42/32/20/385423220.db2.gz CMXCMXOPWLMNBL-NSHDSACASA-N 1 0 202.301 2.813 10 30 BFEERO C[C@@H](CCC[NH3+])Nc1ccc(C#N)c(Cl)c1 ZINC000309345837 386144588 /nfs/dbraw/zinc/14/45/88/386144588.db2.gz YUNXLPDZUAQSQM-VIFPVBQESA-N 1 0 237.734 2.751 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000394815017 386441020 /nfs/dbraw/zinc/44/10/20/386441020.db2.gz QSVCHUPKHHPZRW-XQQFMLRXSA-N 1 0 218.344 2.991 10 30 BFEERO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000164964336 386429830 /nfs/dbraw/zinc/42/98/30/386429830.db2.gz XKNOGIJWSCEVGY-ZNMIVQPWSA-N 1 0 237.387 2.968 10 30 BFEERO C=CCOc1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000103953813 386834885 /nfs/dbraw/zinc/83/48/85/386834885.db2.gz MANIRZVNOPINDU-AWEZNQCLSA-N 1 0 247.338 2.520 10 30 BFEERO C[C@H]1CCC[N@H+](CC2(C#N)CCC2)CC1 ZINC000334793760 386861181 /nfs/dbraw/zinc/86/11/81/386861181.db2.gz SJKVNOSVYIHIKF-LBPRGKRZSA-N 1 0 206.333 2.802 10 30 BFEERO C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398906095 387015714 /nfs/dbraw/zinc/01/57/14/387015714.db2.gz NCCMHDYCFXVQTC-ZNMIVQPWSA-N 1 0 237.387 2.826 10 30 BFEERO C=CCC[C@H]([NH3+])c1c(F)ccc(OC)c1F ZINC000575439033 387121820 /nfs/dbraw/zinc/12/18/20/387121820.db2.gz ORPPCBUETDXDCC-VIFPVBQESA-N 1 0 227.254 2.939 10 30 BFEERO C=CCC[C@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000575439921 387125178 /nfs/dbraw/zinc/12/51/78/387125178.db2.gz XWEXETWCBOXLRQ-NSHDSACASA-N 1 0 227.254 2.939 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)C1CCC1 ZINC000322534241 387303321 /nfs/dbraw/zinc/30/33/21/387303321.db2.gz NDWLFWQRZCIXOO-RWMBFGLXSA-N 1 0 206.333 2.847 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccsc1Br ZINC000575498550 387342971 /nfs/dbraw/zinc/34/29/71/387342971.db2.gz JSIDUQHXTOHNAC-SSDOTTSWSA-N 1 0 230.130 2.534 10 30 BFEERO N#CCCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000105938872 387940233 /nfs/dbraw/zinc/94/02/33/387940233.db2.gz NUAQGAACPGPEQD-SECBINFHSA-N 1 0 220.238 2.564 10 30 BFEERO C[C@H]1C[C@@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037988 388098860 /nfs/dbraw/zinc/09/88/60/388098860.db2.gz ZXKMCOHEAUTTFU-HQSMGLLHSA-N 1 0 226.323 2.608 10 30 BFEERO C=C(Br)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000154350321 388608446 /nfs/dbraw/zinc/60/84/46/388608446.db2.gz MRLABLLVYYYRAD-NXEZZACHSA-N 1 0 230.149 2.627 10 30 BFEERO CC[C@H]([NH3+])C#Cc1ccc(Br)cc1 ZINC000575494631 388954415 /nfs/dbraw/zinc/95/44/15/388954415.db2.gz ZZXZIIKXWXKYRU-NSHDSACASA-N 1 0 238.128 2.538 10 30 BFEERO C[C@H]1CC[N@H+](CC2(C#N)CCC2)C[C@H]1C ZINC000336196938 134126645 /nfs/dbraw/zinc/12/66/45/134126645.db2.gz FUZGHWMVPKJLEF-NWDGAFQWSA-N 1 0 206.333 2.658 10 30 BFEERO C=CCCCN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000303080900 134232154 /nfs/dbraw/zinc/23/21/54/134232154.db2.gz JNMUTFHEUHFCKY-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO C[C@@H](CC#N)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000224315525 134345967 /nfs/dbraw/zinc/34/59/67/134345967.db2.gz LIXWATHZUMXSHP-GXTWGEPZSA-N 1 0 214.312 2.778 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000226615653 134368260 /nfs/dbraw/zinc/36/82/60/134368260.db2.gz HWLDVDBMLGXAHB-LJISPDSOSA-N 1 0 226.323 2.824 10 30 BFEERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000227598460 134385874 /nfs/dbraw/zinc/38/58/74/134385874.db2.gz LHURWZQNLVKFEK-FZMZJTMJSA-N 1 0 232.302 2.976 10 30 BFEERO CC[C@H](CC#N)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000054182471 134388023 /nfs/dbraw/zinc/38/80/23/134388023.db2.gz HDIVTVQHVQZEJR-WDEREUQCSA-N 1 0 248.326 2.744 10 30 BFEERO C[C@@H](CC#N)[NH+]1CCC2(CCCC2)CC1 ZINC000062953894 134395165 /nfs/dbraw/zinc/39/51/65/134395165.db2.gz RDGIHADOLZEYSH-LBPRGKRZSA-N 1 0 206.333 2.945 10 30 BFEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000251841308 135079324 /nfs/dbraw/zinc/07/93/24/135079324.db2.gz OEVQLIAZLSPMBS-MROQNXINSA-N 1 0 206.333 2.847 10 30 BFEERO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253088367 135120013 /nfs/dbraw/zinc/12/00/13/135120013.db2.gz FGIGRCPAVNQIJG-BFHYXJOUSA-N 1 0 223.360 2.578 10 30 BFEERO CCc1ccc(NC(=[NH2+])N[C@@H]2CC2(C)C)cc1 ZINC000262008801 135272297 /nfs/dbraw/zinc/27/22/97/135272297.db2.gz SLKQOKBMWAWNPV-GFCCVEGCSA-N 1 0 231.343 2.774 10 30 BFEERO C[C@H]1CCCN(C(=[NH2+])N[C@@H]2CCC23CCCC3)C1 ZINC000263270274 135343492 /nfs/dbraw/zinc/34/34/92/135343492.db2.gz OXYDQHSQEOOAOR-QWHCGFSZSA-N 1 0 249.402 2.756 10 30 BFEERO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCC#N)o1 ZINC000278899599 135369255 /nfs/dbraw/zinc/36/92/55/135369255.db2.gz IPJVTWUFUSFISB-ONGXEEELSA-N 1 0 206.289 2.931 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000080354797 135369359 /nfs/dbraw/zinc/36/93/59/135369359.db2.gz SGVXHDVTIODOEB-RISCZKNCSA-N 1 0 239.322 2.950 10 30 BFEERO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182599814 397826221 /nfs/dbraw/zinc/82/62/21/397826221.db2.gz ZWURNQQDOVKBPX-RYUDHWBXSA-N 1 0 223.316 2.566 10 30 BFEERO C=C(C)c1[nH+]ccc2c1cc1n2CCC1=O ZINC000088247326 397880432 /nfs/dbraw/zinc/88/04/32/397880432.db2.gz AWMYKERPQXASLQ-UHFFFAOYSA-N 1 0 212.252 2.656 10 30 BFEERO CC[NH2+]CC#Cc1ccc(C)c(Cl)c1 ZINC000231992417 397988610 /nfs/dbraw/zinc/98/86/10/397988610.db2.gz SFJURNKHPFXLRG-UHFFFAOYSA-N 1 0 207.704 2.609 10 30 BFEERO C#CC[NH2+]CCOc1cc(C)ccc1C(C)(C)C ZINC000053563109 166187960 /nfs/dbraw/zinc/18/79/60/166187960.db2.gz OLTGFXSHJSFADU-UHFFFAOYSA-N 1 0 245.366 2.894 10 30 BFEERO C#CC[NH2+][C@@H](C)c1cc2cccc(OC)c2o1 ZINC000020084791 166189929 /nfs/dbraw/zinc/18/99/29/166189929.db2.gz DEVVXWZROCXMGX-JTQLQIEISA-N 1 0 229.279 2.725 10 30 BFEERO C#CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000019875463 166191858 /nfs/dbraw/zinc/19/18/58/166191858.db2.gz SFXDANCDNQYEPY-LLVKDONJSA-N 1 0 225.291 2.829 10 30 BFEERO C=CCN(CC=C)C[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000020071294 166334227 /nfs/dbraw/zinc/33/42/27/166334227.db2.gz DVULAKUXTHEJSM-KFWWJZLASA-N 1 0 234.387 2.581 10 30 BFEERO C=CCN(CC=C)CC[C@H]([NH3+])c1ccccc1 ZINC000020071278 166335503 /nfs/dbraw/zinc/33/55/03/166335503.db2.gz YYTPFSULSSWAAC-HNNXBMFYSA-N 1 0 230.355 2.751 10 30 BFEERO C=CC[N@H+]1CC[C@H]2c3cccc(O)c3CC[C@H]21 ZINC000013826517 166358328 /nfs/dbraw/zinc/35/83/28/166358328.db2.gz MHHLELSXRBTNRD-GXTWGEPZSA-N 1 0 229.323 2.682 10 30 BFEERO C=CC[N@@H+]1Cc2ccc(N)cc2[C@H](CC)C1 ZINC000038302216 166360859 /nfs/dbraw/zinc/36/08/59/166360859.db2.gz ZUBARGWJWRMALM-LLVKDONJSA-N 1 0 216.328 2.764 10 30 BFEERO C=CC[NH2+]CCOc1cccc2ccccc21 ZINC000041582066 166399735 /nfs/dbraw/zinc/39/97/35/166399735.db2.gz JOPSJYQZGHRLIP-UHFFFAOYSA-N 1 0 227.307 2.994 10 30 BFEERO C=CC[NH2+]CCC(=O)c1ccc2c(c1)CCCC2 ZINC000049831459 166399852 /nfs/dbraw/zinc/39/98/52/166399852.db2.gz UAGFOGHIPMYPCQ-UHFFFAOYSA-N 1 0 243.350 2.914 10 30 BFEERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1ccc(C#N)cc1 ZINC000054597646 167007546 /nfs/dbraw/zinc/00/75/46/167007546.db2.gz CDPKPTAFTMPBIV-CABCVRRESA-N 1 0 228.339 2.907 10 30 BFEERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000054594172 167112969 /nfs/dbraw/zinc/11/29/69/167112969.db2.gz XQAGQDZQZWOBSX-KBPBESRZSA-N 1 0 214.312 2.660 10 30 BFEERO CC1([NH2+][C@@H]2CCC[C@H]2C#N)CCCCC1 ZINC000054828182 168064071 /nfs/dbraw/zinc/06/40/71/168064071.db2.gz CWEKDLTXJHTZAH-NWDGAFQWSA-N 1 0 206.333 2.991 10 30 BFEERO CC1CCC([NH2+][C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054823843 168164960 /nfs/dbraw/zinc/16/49/60/168164960.db2.gz ITRWESVBKZPRRH-POOIEITISA-N 1 0 206.333 2.847 10 30 BFEERO CC[C@@H]([NH3+])Cc1cc(C)ccc1OCCCC#N ZINC000071412305 170866452 /nfs/dbraw/zinc/86/64/52/170866452.db2.gz RVRWNMOGTOXGHQ-CQSZACIVSA-N 1 0 246.354 2.957 10 30 BFEERO CC[C@@H]([NH3+])[C@@H](c1cccc(C)c1)N(C)CCC#N ZINC000042965791 170867660 /nfs/dbraw/zinc/86/76/60/170867660.db2.gz TUSANLWXNYMUBY-HUUCEWRRSA-N 1 0 245.370 2.619 10 30 BFEERO CC[C@@H]([NH3+])[C@H](c1ccc(C)cc1)N(C)CCC#N ZINC000042913391 170869302 /nfs/dbraw/zinc/86/93/02/170869302.db2.gz HSHJODGMBKLIKM-CABCVRRESA-N 1 0 245.370 2.619 10 30 BFEERO CC[C@H](C)[N@H+](CC)Cc1ccccc1C#CCO ZINC000049617592 171312535 /nfs/dbraw/zinc/31/25/35/171312535.db2.gz GGQBJHWXWBRWAW-AWEZNQCLSA-N 1 0 245.366 2.651 10 30 BFEERO CC[C@H](C)N[C@]1(C#N)CCc2ccccc2C1 ZINC000038064517 171348964 /nfs/dbraw/zinc/34/89/64/171348964.db2.gz QYMYHUJFHJTBFP-SWLSCSKDSA-N 1 0 228.339 2.826 10 30 BFEERO C[N@@H+]1CCCC[C@H]1CCNc1cccc(C#N)c1 ZINC000052205322 173008116 /nfs/dbraw/zinc/00/81/16/173008116.db2.gz VDDCYXFLRDWGOP-HNNXBMFYSA-N 1 0 243.354 2.845 10 30 BFEERO COCCCC[NH2+][C@H](C)c1ccc(C#N)s1 ZINC000132442596 174203177 /nfs/dbraw/zinc/20/31/77/174203177.db2.gz IPIXOXBRZBUQJL-SNVBAGLBSA-N 1 0 238.356 2.697 10 30 BFEERO COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)s1 ZINC000127414099 174384275 /nfs/dbraw/zinc/38/42/75/174384275.db2.gz DGJIUXGZGBWJMN-ZJUUUORDSA-N 1 0 238.356 2.695 10 30 BFEERO COc1ccc(-c2cccc(C#N)c2)cc1C[NH3+] ZINC000038070543 175034303 /nfs/dbraw/zinc/03/43/03/175034303.db2.gz QWIJRPYSENGHFR-UHFFFAOYSA-N 1 0 238.290 2.693 10 30 BFEERO C[C@@H]([NH3+])c1ccc(N(CCC#N)C2CC2)cc1 ZINC000042531467 175817928 /nfs/dbraw/zinc/81/79/28/175817928.db2.gz YSOGVJYTDLBFFR-LLVKDONJSA-N 1 0 229.327 2.589 10 30 BFEERO C[C@@H]1CC[N@@H+]([C@@H]2CCCCC[C@@H]2C#N)C1 ZINC000040718226 176179987 /nfs/dbraw/zinc/17/99/87/176179987.db2.gz XDNRESLADVRVSF-JHJVBQTASA-N 1 0 206.333 2.801 10 30 BFEERO C[C@@H]1CC[C@H](C#N)[C@H]([N@@H+]2CCCSCC2)C1 ZINC000042443920 176218421 /nfs/dbraw/zinc/21/84/21/176218421.db2.gz UBCRFLZPZMMESS-JHJVBQTASA-N 1 0 238.400 2.754 10 30 BFEERO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@](C)(C=O)c1ccccc1 ZINC000104422224 176392062 /nfs/dbraw/zinc/39/20/62/176392062.db2.gz RCEWLTCTKWODTH-FMKPAKJESA-N 1 0 245.366 2.731 10 30 BFEERO C[C@H]([NH3+])Cc1c(OCC#N)ccc2ccccc21 ZINC000037727476 176761980 /nfs/dbraw/zinc/76/19/80/176761980.db2.gz BNCSKEGNXYDYSP-NSHDSACASA-N 1 0 240.306 2.632 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C#N)cc1 ZINC000052270719 176930652 /nfs/dbraw/zinc/93/06/52/176930652.db2.gz WBMAUOCYQBNAAO-NRUUGDAUSA-N 1 0 200.285 2.617 10 30 BFEERO C=CC[N@H+](Cc1cccc(N)c1)CC(C)C ZINC000238142073 487664663 /nfs/dbraw/zinc/66/46/63/487664663.db2.gz GFBZIEPXBMEYNI-UHFFFAOYSA-N 1 0 218.344 2.913 10 30 BFEERO C=CCCC[NH2+]C1CC(c2ccccn2)C1 ZINC000309305274 487708893 /nfs/dbraw/zinc/70/88/93/487708893.db2.gz APDMFCWAIWTUGG-UHFFFAOYSA-N 1 0 216.328 2.883 10 30 BFEERO C#CCC[NH2+][C@@H](C)c1ccccc1OCC ZINC000069767665 487829808 /nfs/dbraw/zinc/82/98/08/487829808.db2.gz OHZVJYFSIARBPG-LBPRGKRZSA-N 1 0 217.312 2.759 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000070351295 323188608 /nfs/dbraw/zinc/18/86/08/323188608.db2.gz DYRIRVPXPWZWPF-SLEUVZQESA-N 1 0 244.338 2.776 10 30 BFEERO C=CC[N@H+]1CC[C@](CC)(c2cccc(O)c2)C1 ZINC000584650230 488020221 /nfs/dbraw/zinc/02/02/21/488020221.db2.gz RCPYDPZCVIPDQD-HNNXBMFYSA-N 1 0 231.339 2.932 10 30 BFEERO N#C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000054827771 491128450 /nfs/dbraw/zinc/12/84/50/491128450.db2.gz HWLDVDBMLGXAHB-KBUPBQIOSA-N 1 0 226.323 2.824 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309957834 491158898 /nfs/dbraw/zinc/15/88/98/491158898.db2.gz JLHFMUJGGCHKIV-XDQVBPFNSA-N 1 0 224.392 2.517 10 30 BFEERO C=CC/[NH+]=C(\SCC=C)N1CCCC1 ZINC000103770194 518684266 /nfs/dbraw/zinc/68/42/66/518684266.db2.gz WFNGARFMOJBETR-QXMHVHEDSA-N 1 0 210.346 2.543 10 30 BFEERO CCCCCCCC(=O)NCCCCC[NH3+] ZINC000112555318 519963857 /nfs/dbraw/zinc/96/38/57/519963857.db2.gz AKXFROBTCWGFAE-UHFFFAOYSA-N 1 0 228.380 2.592 10 30 BFEERO C=CCCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373026783 534694929 /nfs/dbraw/zinc/69/49/29/534694929.db2.gz STZFJBLYSDRRAI-AVGNSLFASA-N 1 0 223.360 2.746 10 30 BFEERO C=CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000121146166 534798891 /nfs/dbraw/zinc/79/88/91/534798891.db2.gz ASXCXZHLLBMIEU-OLZOCXBDSA-N 1 0 225.376 2.728 10 30 BFEERO C=CC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121212630 534817342 /nfs/dbraw/zinc/81/73/42/534817342.db2.gz FXNJKNXSXSTDOX-OLZOCXBDSA-N 1 0 223.360 2.842 10 30 BFEERO CC[C@]1(C(C)C)C[C@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263161627 535892296 /nfs/dbraw/zinc/89/22/96/535892296.db2.gz QQEGWQIQNYJYIF-BXUZGUMPSA-N 1 0 246.358 2.633 10 30 BFEERO C=CC[NH2+]CCSCc1ccc(CC)o1 ZINC000757171887 582551709 /nfs/dbraw/zinc/55/17/09/582551709.db2.gz WGYFECVYBIOWRG-UHFFFAOYSA-N 1 0 225.357 2.851 10 30 BFEERO CCCCCCCCC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000232914628 635521041 /nfs/dbraw/zinc/52/10/41/635521041.db2.gz QDOAUYITGSHXTA-OLZOCXBDSA-N 1 0 240.391 2.543 10 30 BFEERO CCCCCCCCC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000232914851 635522744 /nfs/dbraw/zinc/52/27/44/635522744.db2.gz QDOAUYITGSHXTA-QWHCGFSZSA-N 1 0 240.391 2.543 10 30 BFEERO CC(C)(C)SCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000308889536 632089334 /nfs/dbraw/zinc/08/93/34/632089334.db2.gz XAHDXNBYGIGYRY-GHMZBOCLSA-N 1 0 226.389 2.800 10 30 BFEERO N#C[C@H]1CCC[C@@H]1NCc1cccc(Cl)n1 ZINC000309476550 632101545 /nfs/dbraw/zinc/10/15/45/632101545.db2.gz CBWCGSGQZCMHHE-KOLCDFICSA-N 1 0 235.718 2.517 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000308916024 632429517 /nfs/dbraw/zinc/42/95/17/632429517.db2.gz BEYFSRYUJCSYPD-QWRGUYRKSA-N 1 0 225.357 2.644 10 30 BFEERO N#Cc1ccc(Cl)cc1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000310310199 632718034 /nfs/dbraw/zinc/71/80/34/632718034.db2.gz WIFBAGDEASWCAA-JOYOIKCWSA-N 1 0 249.745 2.751 10 30 BFEERO C=CCC[C@@H](CCC)[NH2+]C1CC(OC)C1 ZINC000309224187 632823555 /nfs/dbraw/zinc/82/35/55/632823555.db2.gz VTUPRSULTNZCCH-PNESKVBLSA-N 1 0 211.349 2.888 10 30 BFEERO N#CCCCC[NH2+]CCc1ccccc1 ZINC000042221811 637085753 /nfs/dbraw/zinc/08/57/53/637085753.db2.gz RKQOLYCXYXRLAF-UHFFFAOYSA-N 1 0 202.301 2.513 10 30 BFEERO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)cc1 ZINC000061891034 641004343 /nfs/dbraw/zinc/00/43/43/641004343.db2.gz PJTNGLHGZPWDQJ-ZFWWWQNUSA-N 1 0 243.354 2.534 10 30 BFEERO CCCCCCCCC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232914806 642287202 /nfs/dbraw/zinc/28/72/02/642287202.db2.gz QDOAUYITGSHXTA-STQMWFEESA-N 1 0 240.391 2.543 10 30 BFEERO C#CCC[NH2+]Cc1ccc(SC)cc1 ZINC000069767867 642904742 /nfs/dbraw/zinc/90/47/42/642904742.db2.gz TWHYNLFOEXUANS-UHFFFAOYSA-N 1 0 205.326 2.521 10 30 BFEERO C#CCC[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000070246084 643006361 /nfs/dbraw/zinc/00/63/61/643006361.db2.gz VRANBLUDSKRWAX-UHFFFAOYSA-N 1 0 229.323 2.513 10 30 BFEERO C#CCC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000082497080 643327125 /nfs/dbraw/zinc/32/71/25/643327125.db2.gz YBSPXLWPAFNQRB-UHFFFAOYSA-N 1 0 211.667 2.592 10 30 BFEERO C#CCC[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000080509300 644271232 /nfs/dbraw/zinc/27/12/32/644271232.db2.gz FHFZNIMSHIUMMB-UHFFFAOYSA-N 1 0 229.323 2.513 10 30 BFEERO CCC[C@@H]1C[C@@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000092278448 644651945 /nfs/dbraw/zinc/65/19/45/644651945.db2.gz MQBZYPMEKOSFPT-YPMHNXCESA-N 1 0 237.391 2.802 10 30 BFEERO CSC1CC([NH2+]CC#Cc2ccccc2)C1 ZINC000708311166 712186256 /nfs/dbraw/zinc/18/62/56/712186256.db2.gz RIQNANBQGALNDP-UHFFFAOYSA-N 1 0 231.364 2.522 10 30 BFEERO CN(CCCCCC[NH3+])c1ccc(C#N)cc1 ZINC000710781491 712256221 /nfs/dbraw/zinc/25/62/21/712256221.db2.gz NWOJTUHBYYODHC-UHFFFAOYSA-N 1 0 231.343 2.514 10 30 BFEERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)C1 ZINC000721233021 712899727 /nfs/dbraw/zinc/89/97/27/712899727.db2.gz FULQBUXDKFRTFZ-IGQOVBAYSA-N 1 0 236.359 2.616 10 30 BFEERO N#C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722329081 711737914 /nfs/dbraw/zinc/73/79/14/711737914.db2.gz CLXIJYLPHUSWLN-LJISPDSOSA-N 1 0 248.370 2.616 10 30 BFEERO CN(CCCCCC[NH3+])c1ccc(F)cc1C#N ZINC000710693196 712254666 /nfs/dbraw/zinc/25/46/66/712254666.db2.gz LAMMUBBRTAJMRW-UHFFFAOYSA-N 1 0 249.333 2.653 10 30 BFEERO C#C[C@]1(O)CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1 ZINC000536553499 398190073 /nfs/dbraw/zinc/19/00/73/398190073.db2.gz ZGSKISFUXLYAST-BPUTZDHNSA-N 1 0 243.350 2.644 10 30 BFEERO CCC(CC)[N@H+](C)Cc1ccc(C#CCO)cc1 ZINC000049618653 168368452 /nfs/dbraw/zinc/36/84/52/168368452.db2.gz FXSNDBRGOBZQTJ-UHFFFAOYSA-N 1 0 245.366 2.651 10 30 BFEERO Cc1ccc(C#N)c(NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000051580218 178364229 /nfs/dbraw/zinc/36/42/29/178364229.db2.gz SBSUWZGMZIELQP-CYBMUJFWSA-N 1 0 243.354 2.620 10 30 BFEERO C#CC[C@H]([NH2+]C)c1ccccc1Br ZINC000051075163 346834081 /nfs/dbraw/zinc/83/40/81/346834081.db2.gz ULRLSDUMZOXMKX-NSHDSACASA-N 1 0 238.128 2.733 10 30 BFEERO CCC(CC)[NH2+]Cc1ccccc1OCC#N ZINC000034991224 168389707 /nfs/dbraw/zinc/38/97/07/168389707.db2.gz RDPHNYBZHHCTEI-UHFFFAOYSA-N 1 0 232.327 2.867 10 30 BFEERO C=CCC[C@H](CC)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000381564256 539003604 /nfs/dbraw/zinc/00/36/04/539003604.db2.gz SNHRVNXVFBDSFN-HZSPNIEDSA-N 1 0 224.392 2.661 10 30 BFEERO CC(=[NH2+])NCCc1ccc(Cl)cc1Cl ZINC000059926313 342876107 /nfs/dbraw/zinc/87/61/07/342876107.db2.gz LOTALWWIUOSBCF-UHFFFAOYSA-N 1 0 231.126 2.913 10 30 BFEERO C#CCC[C@@H]([NH3+])c1cc(Cl)ccc1F ZINC000165121103 342876683 /nfs/dbraw/zinc/87/66/83/342876683.db2.gz KXFPSWMMZLAFKY-LLVKDONJSA-N 1 0 211.667 2.892 10 30 BFEERO SC/C=C\C[N@@H+]1CCCC12CCCC2 ZINC000308560259 346883911 /nfs/dbraw/zinc/88/39/11/346883911.db2.gz DVZLJQYWWRWLDF-ARJAWSKDSA-N 1 0 211.374 2.881 10 30 BFEERO C[C@H](C#N)c1ccc(C[NH+]2CCCC2)cc1 ZINC000140245809 343071022 /nfs/dbraw/zinc/07/10/22/343071022.db2.gz CWJPMZHQFMTSOB-GFCCVEGCSA-N 1 0 214.312 2.909 10 30 BFEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000120454955 136292547 /nfs/dbraw/zinc/29/25/47/136292547.db2.gz PKAIGNUFPNVRBG-HUBLWGQQSA-N 1 0 229.323 2.758 10 30 BFEERO C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000120454796 136292460 /nfs/dbraw/zinc/29/24/60/136292460.db2.gz PKAIGNUFPNVRBG-XUJVJEKNSA-N 1 0 229.323 2.758 10 30 BFEERO Cc1cccc(OCC[NH2+][C@H]2CCC[C@@H]2C#N)c1 ZINC000054827438 136373098 /nfs/dbraw/zinc/37/30/98/136373098.db2.gz RSYUYUBBJOYLRN-HIFRSBDPSA-N 1 0 244.338 2.656 10 30 BFEERO COC1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CCCC1 ZINC000310361686 343461819 /nfs/dbraw/zinc/46/18/19/343461819.db2.gz UNJOLEHEHIMKJT-OLZOCXBDSA-N 1 0 236.359 2.618 10 30 BFEERO COC1(C[NH2+][C@@H]2CCCC[C@@H]2C#N)CCCC1 ZINC000310361685 343461973 /nfs/dbraw/zinc/46/19/73/343461973.db2.gz UNJOLEHEHIMKJT-CHWSQXEVSA-N 1 0 236.359 2.618 10 30 BFEERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)[C@H]1C[C@@H]1C ZINC000321870081 343620532 /nfs/dbraw/zinc/62/05/32/343620532.db2.gz HDRSBVHPYJRVSS-FPYNETTCSA-N 1 0 206.333 2.703 10 30 BFEERO C[C@@H]1C[C@H](O)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000602931444 349822235 /nfs/dbraw/zinc/82/22/35/349822235.db2.gz VQTVIPWGHKVEDS-CHWSQXEVSA-N 1 0 238.375 2.552 10 30 BFEERO C[C@@H]1CCC[N@@H+]1CC1(C=O)CCCCC1 ZINC000051174966 346974543 /nfs/dbraw/zinc/97/45/43/346974543.db2.gz VBSDPJXROJXDTD-GFCCVEGCSA-N 1 0 209.333 2.620 10 30 BFEERO C#CC[C@H]([NH2+]C)c1cc(F)ccc1Cl ZINC000307352992 343924604 /nfs/dbraw/zinc/92/46/04/343924604.db2.gz CIBRMTWXMZGHEW-NSHDSACASA-N 1 0 211.667 2.763 10 30 BFEERO C=C(CC)CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000313540583 344101620 /nfs/dbraw/zinc/10/16/20/344101620.db2.gz RTTVIGANZNRDRS-ZIAGYGMSSA-N 1 0 222.376 2.511 10 30 BFEERO CN/C(Cc1cc2ccccc2cc1C)=[NH+]\C ZINC000029416063 344601949 /nfs/dbraw/zinc/60/19/49/344601949.db2.gz OWTAKOKMYFMOCJ-UHFFFAOYSA-N 1 0 226.323 2.938 10 30 BFEERO C[C@@]1(C(=O)C2=CCCCCC2)CCC[NH2+]1 ZINC000235431682 344910413 /nfs/dbraw/zinc/91/04/13/344910413.db2.gz KZLSQCNOCLSRHK-ZDUSSCGKSA-N 1 0 207.317 2.588 10 30 BFEERO C=C[C@H](C)[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000235516230 344928992 /nfs/dbraw/zinc/92/89/92/344928992.db2.gz UUYHATHDDXTUGC-AWEZNQCLSA-N 1 0 232.371 2.673 10 30 BFEERO CC#CCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000155727541 345102173 /nfs/dbraw/zinc/10/21/73/345102173.db2.gz MTMAJFMHPQMGRR-LBPRGKRZSA-N 1 0 203.285 2.830 10 30 BFEERO C=C[C@H](C)OCCC[NH2+]Cc1ccccc1 ZINC000158856891 345610298 /nfs/dbraw/zinc/61/02/98/345610298.db2.gz JVURJKQIGUPOQE-ZDUSSCGKSA-N 1 0 219.328 2.757 10 30 BFEERO C=C[C@H]([NH2+]C)c1csc(Br)c1 ZINC000163905840 345780911 /nfs/dbraw/zinc/78/09/11/345780911.db2.gz FMQLHKLKJBEQNA-ZETCQYMHSA-N 1 0 232.146 2.957 10 30 BFEERO C=CC[C@@H](CO)CC[N@@H+](C)Cc1ccccc1 ZINC000034591733 345834525 /nfs/dbraw/zinc/83/45/25/345834525.db2.gz FMLVGBALFLXDAF-OAHLLOKOSA-N 1 0 233.355 2.693 10 30 BFEERO C[C@@H](C#N)C[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000380035218 365816330 /nfs/dbraw/zinc/81/63/30/365816330.db2.gz RVODEVGXCPUREB-UWVGGRQHSA-N 1 0 208.349 2.806 10 30 BFEERO Cc1cccc(C[NH2+][C@H]2CCC[C@H]2C#N)c1 ZINC000054825584 179101381 /nfs/dbraw/zinc/10/13/81/179101381.db2.gz YITIISTUWHGIIN-KBPBESRZSA-N 1 0 214.312 2.777 10 30 BFEERO N#Cc1ccc(Cl)cc1NC[C@@H]1CCCC[NH2+]1 ZINC000062785811 346661318 /nfs/dbraw/zinc/66/13/18/346661318.db2.gz KKCJQDRIVBKFNL-LBPRGKRZSA-N 1 0 249.745 2.766 10 30 BFEERO C=C(C)C[N@H+](CC)C[C@@H]1CNc2ccccc2O1 ZINC000020074226 187370066 /nfs/dbraw/zinc/37/00/66/187370066.db2.gz ONABIZNGWWWZAL-ZDUSSCGKSA-N 1 0 246.354 2.758 10 30 BFEERO C=CCCOCC[NH2+][C@H](CC)C(C)(C)C ZINC000380201619 346683105 /nfs/dbraw/zinc/68/31/05/346683105.db2.gz UEJFSKMAJDAJOW-GFCCVEGCSA-N 1 0 213.365 2.993 10 30 BFEERO Cc1cccc([C@H]([C@@H](C)[NH3+])N(C)[C@@H](C)CC#N)c1 ZINC000063085283 179204248 /nfs/dbraw/zinc/20/42/48/179204248.db2.gz DSWOBXVNIJOZJX-GUTXKFCHSA-N 1 0 245.370 2.617 10 30 BFEERO N#CCCCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000310558408 347295095 /nfs/dbraw/zinc/29/50/95/347295095.db2.gz DIGMOHMXANMQHK-OAHLLOKOSA-N 1 0 249.402 2.631 10 30 BFEERO Cc1cccc2c1CC[NH2+][C@@H]2[C@@H](C)S ZINC000083731651 179212730 /nfs/dbraw/zinc/21/27/30/179212730.db2.gz FRUPPGGZVHWKGV-BXKDBHETSA-N 1 0 207.342 2.500 10 30 BFEERO N#C[C@H]1CCCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000063100009 347514588 /nfs/dbraw/zinc/51/45/88/347514588.db2.gz LQPSNYGYOBZFHF-BDAKNGLRSA-N 1 0 220.238 2.611 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000590961805 347595519 /nfs/dbraw/zinc/59/55/19/347595519.db2.gz XQDSHOCAWHMBBD-IHRRRGAJSA-N 1 0 248.370 2.760 10 30 BFEERO Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054825571 179281954 /nfs/dbraw/zinc/28/19/54/179281954.db2.gz QCQLXRWDJHNSBD-GXTWGEPZSA-N 1 0 214.312 2.777 10 30 BFEERO N#Cc1ccc(NCC2([NH3+])CCCC2)cc1Cl ZINC000594691927 348099500 /nfs/dbraw/zinc/09/95/00/348099500.db2.gz AGWQTJNTLVRFKB-UHFFFAOYSA-N 1 0 249.745 2.895 10 30 BFEERO Cc1cccc(CC[NH2+][C@@H]2CCCC[C@H]2C#N)n1 ZINC000595690028 348315811 /nfs/dbraw/zinc/31/58/11/348315811.db2.gz ORQWJNOHRXSGFC-DZGCQCFKSA-N 1 0 243.354 2.605 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000597084141 348655478 /nfs/dbraw/zinc/65/54/78/348655478.db2.gz XNEQBVQOTRKSDE-SRVKXCTJSA-N 1 0 224.373 2.554 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CC1CCCCC1 ZINC000054824938 348668460 /nfs/dbraw/zinc/66/84/60/348668460.db2.gz KMJXFSMGSMEIET-OLZOCXBDSA-N 1 0 206.333 2.849 10 30 BFEERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C#N)C1 ZINC000054824913 348668644 /nfs/dbraw/zinc/66/86/44/348668644.db2.gz OEVQLIAZLSPMBS-FVCCEPFGSA-N 1 0 206.333 2.847 10 30 BFEERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CC1 ZINC000323904183 348635186 /nfs/dbraw/zinc/63/51/86/348635186.db2.gz RCDDRDUUWHCMOY-AVGNSLFASA-N 1 0 206.333 2.847 10 30 BFEERO N#C[C@H]1CCCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000597195428 348672276 /nfs/dbraw/zinc/67/22/76/348672276.db2.gz IDJBVOPKYILKDM-DGCLKSJQSA-N 1 0 218.344 2.991 10 30 BFEERO CC#CC[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000051664987 350022497 /nfs/dbraw/zinc/02/24/97/350022497.db2.gz HOXPGUAHCPHPFK-LLVKDONJSA-N 1 0 238.128 2.862 10 30 BFEERO CC#CC[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000051665112 350022623 /nfs/dbraw/zinc/02/26/23/350022623.db2.gz RUKOPUHCOSNJDH-LBPRGKRZSA-N 1 0 207.704 2.623 10 30 BFEERO C=C(C)COCC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000131388691 191011514 /nfs/dbraw/zinc/01/15/14/191011514.db2.gz NTYMPLWNYLXLDP-CHWSQXEVSA-N 1 0 211.349 2.747 10 30 BFEERO C=C(C)COCC[NH2+][C@H]1CC[C@H](CC)C1 ZINC000131388469 191011892 /nfs/dbraw/zinc/01/18/92/191011892.db2.gz NTYMPLWNYLXLDP-STQMWFEESA-N 1 0 211.349 2.747 10 30 BFEERO C[C@@H]1COC[C@H](C)[N@H+]1CCCCC(C)(C)C#N ZINC000336708254 350460475 /nfs/dbraw/zinc/46/04/75/350460475.db2.gz QXDLELXMCIFJGT-BETUJISGSA-N 1 0 238.375 2.816 10 30 BFEERO CC(C)[N@@H+]1CCOCC[C@H]1c1cccc(C#N)c1 ZINC000616598191 350657247 /nfs/dbraw/zinc/65/72/47/350657247.db2.gz MLRVXVLLEAJLRQ-HNNXBMFYSA-N 1 0 244.338 2.730 10 30 BFEERO C#CCOc1c(C)cc(C[C@H]([NH3+])CC)cc1C ZINC000037723407 187463183 /nfs/dbraw/zinc/46/31/83/187463183.db2.gz BXGPUVHLUBFWGS-CQSZACIVSA-N 1 0 231.339 2.595 10 30 BFEERO CSC1(C[NH2+][C@@H]2CCCC[C@H]2C#N)CCC1 ZINC000235087802 350710650 /nfs/dbraw/zinc/71/06/50/350710650.db2.gz MLNOWQKVZSJZAG-NWDGAFQWSA-N 1 0 238.400 2.944 10 30 BFEERO CSC1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000235115584 350711952 /nfs/dbraw/zinc/71/19/52/350711952.db2.gz WDTMPWBQLUPLAJ-MNOVXSKESA-N 1 0 224.373 2.554 10 30 BFEERO C=CCC[C@@H]([NH3+])c1ccc2c(c1)CCO2 ZINC000129022649 350962101 /nfs/dbraw/zinc/96/21/01/350962101.db2.gz NYYRBJTWEOGAMF-GFCCVEGCSA-N 1 0 203.285 2.588 10 30 BFEERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2C#N)CS1 ZINC000397786815 350972353 /nfs/dbraw/zinc/97/23/53/350972353.db2.gz BLESUFXGKWVLQQ-WISYIIOYSA-N 1 0 224.373 2.552 10 30 BFEERO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000336740566 191127581 /nfs/dbraw/zinc/12/75/81/191127581.db2.gz MKVPGYCUSUVQCR-OPRDCNLKSA-N 1 0 234.265 2.999 10 30 BFEERO N#Cc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000616629554 351100809 /nfs/dbraw/zinc/10/08/09/351100809.db2.gz KKLSHORASGYUJM-CYBMUJFWSA-N 1 0 200.285 2.763 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1ccnc(Br)c1 ZINC000306915996 351328535 /nfs/dbraw/zinc/32/85/35/351328535.db2.gz WOPMXZWSGUBHHQ-SECBINFHSA-N 1 0 241.132 2.810 10 30 BFEERO C=C1CCC[N@@H+](C[C@H]2CC2(Cl)Cl)C1 ZINC000306924177 351343098 /nfs/dbraw/zinc/34/30/98/351343098.db2.gz IMVRVWHITLVCGB-SECBINFHSA-N 1 0 220.143 2.832 10 30 BFEERO CC#CC[C@H]([NH3+])c1cc(Br)oc1C ZINC000307123318 351490801 /nfs/dbraw/zinc/49/08/01/351490801.db2.gz OBCAJLMAYCWQCE-VIFPVBQESA-N 1 0 242.116 2.764 10 30 BFEERO C=C[C@H](C)Oc1c(C[C@@H](C)[NH3+])cccc1OC ZINC000052144286 187532138 /nfs/dbraw/zinc/53/21/38/187532138.db2.gz NJILUMRMHQDXON-MNOVXSKESA-N 1 0 235.327 2.538 10 30 BFEERO C=C[C@H](C)Oc1c(C[C@H](C)[NH3+])cccc1OC ZINC000052144283 187532177 /nfs/dbraw/zinc/53/21/77/187532177.db2.gz NJILUMRMHQDXON-QWRGUYRKSA-N 1 0 235.327 2.538 10 30 BFEERO C#CCC[C@@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300926962 363147184 /nfs/dbraw/zinc/14/71/84/363147184.db2.gz QJWKNSVTFXOZFG-VHSXEESVSA-N 1 0 201.260 2.553 10 30 BFEERO C=CCN(CC[NH3+])Cc1c(C)cc(C)cc1C ZINC000076615205 166342547 /nfs/dbraw/zinc/34/25/47/166342547.db2.gz IECAASGWUWKKOI-UHFFFAOYSA-N 1 0 232.371 2.559 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)[C@H]1CCCCO1 ZINC000383078499 352362948 /nfs/dbraw/zinc/36/29/48/352362948.db2.gz IAZUAKQPPJIEFB-IGQOVBAYSA-N 1 0 236.359 2.616 10 30 BFEERO C=CCOc1ccc2ccccc2c1CC[NH3+] ZINC000037721505 187806963 /nfs/dbraw/zinc/80/69/63/187806963.db2.gz FCCJAKSZDKTOSM-UHFFFAOYSA-N 1 0 227.307 2.906 10 30 BFEERO C=C(Br)C[NH2+][C@@H]1C=CCCC1 ZINC000232455269 352680834 /nfs/dbraw/zinc/68/08/34/352680834.db2.gz LKZRYIZFYBCKSL-SECBINFHSA-N 1 0 216.122 2.593 10 30 BFEERO CC#CC[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000232555237 353128006 /nfs/dbraw/zinc/12/80/06/353128006.db2.gz KKSFKGKBXIMBCV-LLVKDONJSA-N 1 0 211.667 2.892 10 30 BFEERO C=C(C)[C@H]([NH3+])c1ccoc1Br ZINC000232564941 353133102 /nfs/dbraw/zinc/13/31/02/353133102.db2.gz HTYWYXXJVWNACK-ZETCQYMHSA-N 1 0 216.078 2.618 10 30 BFEERO C=CCc1ccccc1OCCC[NH2+]CC ZINC000033433478 188061015 /nfs/dbraw/zinc/06/10/15/188061015.db2.gz MLDCUZLEDSZOPC-UHFFFAOYSA-N 1 0 219.328 2.794 10 30 BFEERO C#CCOc1cccc(C[NH2+]CCCCC)c1 ZINC000045945743 188440371 /nfs/dbraw/zinc/44/03/71/188440371.db2.gz OHMJEUVXYSUFLF-UHFFFAOYSA-N 1 0 231.339 2.978 10 30 BFEERO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000309627716 491058251 /nfs/dbraw/zinc/05/82/51/491058251.db2.gz GFIGCROTLFFCNP-MJBXVCDLSA-N 1 0 225.376 2.872 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC12CCOCC2 ZINC000305973847 181061030 /nfs/dbraw/zinc/06/10/30/181061030.db2.gz GYZTUNOJUAXYON-BFHYXJOUSA-N 1 0 248.370 2.618 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000054823156 181069090 /nfs/dbraw/zinc/06/90/90/181069090.db2.gz ZZLZONMNIKXXBP-OCCSQVGLSA-N 1 0 232.302 2.650 10 30 BFEERO N#Cc1c(F)cccc1N[C@H]1CCCCC[C@H]1[NH3+] ZINC000063214856 181075965 /nfs/dbraw/zinc/07/59/65/181075965.db2.gz ZOXGLZMKRIXHIS-OCCSQVGLSA-N 1 0 247.317 2.769 10 30 BFEERO N#Cc1cc(Cl)ccc1N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000335579782 181086707 /nfs/dbraw/zinc/08/67/07/181086707.db2.gz IKRMSVUIFLSAQA-SKDRFNHKSA-N 1 0 249.745 2.751 10 30 BFEERO N#Cc1ccc(-c2ccc(C[NH3+])cc2)s1 ZINC000050266920 181095248 /nfs/dbraw/zinc/09/52/48/181095248.db2.gz GGWJIDPCQJVPIY-UHFFFAOYSA-N 1 0 214.293 2.745 10 30 BFEERO C[C@@H]1CC[N@H+](CC2(C#N)CCC2)CCS1 ZINC000334619444 354308249 /nfs/dbraw/zinc/30/82/49/354308249.db2.gz KPXFGPBXWWCPRP-LLVKDONJSA-N 1 0 224.373 2.508 10 30 BFEERO N#Cc1ccc(F)c(C[NH2+]CCc2ccco2)c1 ZINC000037980182 181113044 /nfs/dbraw/zinc/11/30/44/181113044.db2.gz XOGQDWPIKVGVLF-UHFFFAOYSA-N 1 0 244.269 2.623 10 30 BFEERO N#Cc1ccc(N[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000063214740 181125809 /nfs/dbraw/zinc/12/58/09/181125809.db2.gz NSYIZPVKUDJVIX-KGLIPLIRSA-N 1 0 229.327 2.630 10 30 BFEERO N#Cc1ccc(O[C@H](C[NH3+])c2ccccc2)cc1 ZINC000042899694 181128868 /nfs/dbraw/zinc/12/88/68/181128868.db2.gz QPOSDYGWGIWYGJ-OAHLLOKOSA-N 1 0 238.290 2.637 10 30 BFEERO N#Cc1ncccc1C[NH2+]CCC1=CCCCC1 ZINC000061658816 181170597 /nfs/dbraw/zinc/17/05/97/181170597.db2.gz CMMQNSICFOCIMW-UHFFFAOYSA-N 1 0 241.338 2.933 10 30 BFEERO N/[NH+]=C(/NC1CCCCCC1)c1ccccc1 ZINC000042037898 181183363 /nfs/dbraw/zinc/18/33/63/181183363.db2.gz PUMUIWXXZFKLJT-UHFFFAOYSA-N 1 0 231.343 2.619 10 30 BFEERO COC1(CC[NH2+][C@@H]2CCCC[C@H]2C#N)CCC1 ZINC000383888680 355658395 /nfs/dbraw/zinc/65/83/95/355658395.db2.gz UHXBIYJCWXPNLV-QWHCGFSZSA-N 1 0 236.359 2.618 10 30 BFEERO C=CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1 ZINC000019875993 356485017 /nfs/dbraw/zinc/48/50/17/356485017.db2.gz DJYIZQKANOKOMW-SNVBAGLBSA-N 1 0 221.300 2.540 10 30 BFEERO C[C@@H]1C[C@@H](C)C[NH+](CC2(C#N)CCC2)C1 ZINC000336189580 134122768 /nfs/dbraw/zinc/12/27/68/134122768.db2.gz GESNETOJTDMKCA-VXGBXAGGSA-N 1 0 206.333 2.658 10 30 BFEERO CC(C)C1CCC([C@H]2C[NH2+]C[C@@H](C=O)C2)CC1 ZINC000675059960 538485144 /nfs/dbraw/zinc/48/51/44/538485144.db2.gz ONQNATDFINHXNW-VXGQWTEUSA-N 1 0 237.387 2.873 10 30 BFEERO CC#CCC[C@@H]([NH3+])c1ccc(Cl)cn1 ZINC000161241115 363550949 /nfs/dbraw/zinc/55/09/49/363550949.db2.gz HEJJGLUOVFULMR-SNVBAGLBSA-N 1 0 208.692 2.538 10 30 BFEERO C#CC[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000168656925 356864130 /nfs/dbraw/zinc/86/41/30/356864130.db2.gz OZUYNICWROASFA-SNVBAGLBSA-N 1 0 242.091 2.611 10 30 BFEERO C#CC[C@@H]([NH3+])c1cccc(F)c1Br ZINC000168666231 356992331 /nfs/dbraw/zinc/99/23/31/356992331.db2.gz OCOJMOIBMJJHJB-SECBINFHSA-N 1 0 242.091 2.611 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000129905517 357035430 /nfs/dbraw/zinc/03/54/30/357035430.db2.gz JFNCWEUYBWERLT-LBPRGKRZSA-N 1 0 205.301 2.970 10 30 BFEERO C#CC[C@@H]([NH3+])c1sccc1Br ZINC000168678572 357067595 /nfs/dbraw/zinc/06/75/95/357067595.db2.gz VKPZZCONIHQDES-SSDOTTSWSA-N 1 0 230.130 2.534 10 30 BFEERO C#C[C@@H]([NH2+]C)c1cc(C)c(Br)s1 ZINC000130060462 357168176 /nfs/dbraw/zinc/16/81/76/357168176.db2.gz HWJCYLZTEPQIEY-SSDOTTSWSA-N 1 0 244.157 2.713 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000230686518 357549946 /nfs/dbraw/zinc/54/99/46/357549946.db2.gz UGXKOTYUZIGNRD-GXTWGEPZSA-N 1 0 239.322 2.950 10 30 BFEERO N#CCCCC[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000363037633 134215056 /nfs/dbraw/zinc/21/50/56/134215056.db2.gz KGZPWKYSMHSONU-QWHCGFSZSA-N 1 0 206.333 2.945 10 30 BFEERO CNC(=[NH2+])SC[C@@H]1CCC2(CCCCC2)O1 ZINC000191698925 357800600 /nfs/dbraw/zinc/80/06/00/357800600.db2.gz ZCIDQUBSNOAFPR-JTQLQIEISA-N 1 0 242.388 2.546 10 30 BFEERO ON=C1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000584601408 358258018 /nfs/dbraw/zinc/25/80/18/358258018.db2.gz RVOVXZWWKKIEAE-UHFFFAOYSA-N 1 0 244.338 2.818 10 30 BFEERO CC[NH2+][C@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000387471323 366428884 /nfs/dbraw/zinc/42/88/84/366428884.db2.gz SNNNGQVEEHIBPV-SECBINFHSA-N 1 0 237.734 2.622 10 30 BFEERO C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124607844 358520878 /nfs/dbraw/zinc/52/08/78/358520878.db2.gz IIIRPEQMQQYUAS-ZNMIVQPWSA-N 1 0 237.387 2.968 10 30 BFEERO C=CCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128728441 358580081 /nfs/dbraw/zinc/58/00/81/358580081.db2.gz NTIGXPJHZAFTHX-KGLIPLIRSA-N 1 0 233.359 2.923 10 30 BFEERO CC(C)[C@H]([NH3+])CCN(C)c1ccc(F)cc1C#N ZINC000133606544 358761137 /nfs/dbraw/zinc/76/11/37/358761137.db2.gz HYRUENQJTJOFQA-CYBMUJFWSA-N 1 0 249.333 2.507 10 30 BFEERO C#C[C@H]([NH2+]C)c1ccc(Br)c(C)c1 ZINC000130223781 358964847 /nfs/dbraw/zinc/96/48/47/358964847.db2.gz ZHAXOBUIYZSVHU-NSHDSACASA-N 1 0 238.128 2.651 10 30 BFEERO C#CC[C@@H](C)Nc1cc[nH+]c(C)c1Cl ZINC000306249873 359450036 /nfs/dbraw/zinc/45/00/36/359450036.db2.gz RJHCCLKMTHIDAJ-MRVPVSSYSA-N 1 0 208.692 2.867 10 30 BFEERO C#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000306396887 359761649 /nfs/dbraw/zinc/76/16/49/359761649.db2.gz IAJDCJSYGNJPAR-UKRRQHHQSA-N 1 0 213.324 2.968 10 30 BFEERO C=CCOCC[NH2+][C@H]1CCC[C@@H]1CCC ZINC000309100011 491144844 /nfs/dbraw/zinc/14/48/44/491144844.db2.gz GHOYKKGZEFOZAF-STQMWFEESA-N 1 0 211.349 2.747 10 30 BFEERO C=C(Br)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000306448925 360015854 /nfs/dbraw/zinc/01/58/54/360015854.db2.gz KDVMCFDWDDUEHL-IVZWLZJFSA-N 1 0 230.149 2.673 10 30 BFEERO C#CC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070598997 361583176 /nfs/dbraw/zinc/58/31/76/361583176.db2.gz LDFOIDIFKMVMKM-SSDOTTSWSA-N 1 0 230.130 2.534 10 30 BFEERO C#CC[C@@H]([NH2+]C)c1ccc(Br)s1 ZINC000070597851 361583355 /nfs/dbraw/zinc/58/33/55/361583355.db2.gz QLHLGJCONRXJLT-SSDOTTSWSA-N 1 0 244.157 2.794 10 30 BFEERO CC(C)(C)[C@@H]1CCC[N@H+](C[C@@H]2CO2)CC1 ZINC000070613407 361626715 /nfs/dbraw/zinc/62/67/15/361626715.db2.gz URFGQRSJVVHGMM-VXGBXAGGSA-N 1 0 211.349 2.533 10 30 BFEERO [NH3+]CC#Cc1ccccc1COC1CCCCC1 ZINC000049610317 181345622 /nfs/dbraw/zinc/34/56/22/181345622.db2.gz CDVHUAYIUJVALQ-UHFFFAOYSA-N 1 0 243.350 2.846 10 30 BFEERO [NH3+]CC#Cc1ccc2cc(OC(F)F)ccc2c1 ZINC000042477904 181346433 /nfs/dbraw/zinc/34/64/33/181346433.db2.gz DKWZCJRRZRYYGN-UHFFFAOYSA-N 1 0 247.244 2.751 10 30 BFEERO [NH3+]CC#Cc1ccccc1COc1ccccc1 ZINC000049610523 181347774 /nfs/dbraw/zinc/34/77/74/181347774.db2.gz YPWNDJAQMPSGPA-UHFFFAOYSA-N 1 0 237.302 2.576 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250839528 364585853 /nfs/dbraw/zinc/58/58/53/364585853.db2.gz DOJZOMDCNBTVET-SQWLQELKSA-N 1 0 240.350 2.998 10 30 BFEERO COc1ccc([C@@H](C)C[NH2+]C[C@H](C)C#N)cc1 ZINC000183835786 367051955 /nfs/dbraw/zinc/05/19/55/367051955.db2.gz DWCSQXLVDWLTQK-NEPJUHHUSA-N 1 0 232.327 2.548 10 30 BFEERO C=C[C@@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000161667372 370874157 /nfs/dbraw/zinc/87/41/57/370874157.db2.gz OEUQLRYVNCEHPM-SNVBAGLBSA-N 1 0 226.117 2.943 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000130983458 370598524 /nfs/dbraw/zinc/59/85/24/370598524.db2.gz AWMJPQPXLALDDY-GFCCVEGCSA-N 1 0 221.300 2.670 10 30 BFEERO Cc1nc(CC[NH2+][C@@H]2CCCC[C@H]2C#N)cs1 ZINC000226384925 371658992 /nfs/dbraw/zinc/65/89/92/371658992.db2.gz XGURDSHTPICMQX-WCQYABFASA-N 1 0 249.383 2.666 10 30 BFEERO C=C[C@H]([NH3+])c1csc(Br)c1 ZINC000162754449 371841121 /nfs/dbraw/zinc/84/11/21/371841121.db2.gz HNTDPWBGQDTGHI-LURJTMIESA-N 1 0 218.119 2.696 10 30 BFEERO C[C@H]1SCC[N@H+](CC2(CS)CC2)[C@@H]1C ZINC000132796131 371923652 /nfs/dbraw/zinc/92/36/52/371923652.db2.gz DSDNHAQOQJYFHE-NXEZZACHSA-N 1 0 231.430 2.522 10 30 BFEERO C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000217658452 371992594 /nfs/dbraw/zinc/99/25/94/371992594.db2.gz JJLOOABQFBGZMW-NILFDRSVSA-N 1 0 244.338 2.512 10 30 BFEERO CCC[NH+](CCC)Cc1ccc(C#CCO)cc1 ZINC000049616297 169149470 /nfs/dbraw/zinc/14/94/70/169149470.db2.gz PIZRYNBWDKWNJE-UHFFFAOYSA-N 1 0 245.366 2.652 10 30 BFEERO CCCN[C@H](C#N)CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000062369341 169283696 /nfs/dbraw/zinc/28/36/96/169283696.db2.gz DBEQMWOWHDXGEK-IHRRRGAJSA-N 1 0 237.391 2.531 10 30 BFEERO CCCN[C@H](C#N)CCOc1cc(C)ccc1C ZINC000062446273 169283728 /nfs/dbraw/zinc/28/37/28/169283728.db2.gz VCWRLPOEJDDTNR-AWEZNQCLSA-N 1 0 246.354 2.964 10 30 BFEERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000165044438 169539388 /nfs/dbraw/zinc/53/93/88/169539388.db2.gz SWFFCIIAGGUZRY-UONOGXRCSA-N 1 0 214.312 2.836 10 30 BFEERO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000376060737 134381221 /nfs/dbraw/zinc/38/12/21/134381221.db2.gz ZCGVZUPFEDFJRP-SYQHCUMBSA-N 1 0 223.360 2.603 10 30 BFEERO N#Cc1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)ccc1F ZINC000334912991 383978055 /nfs/dbraw/zinc/97/80/55/383978055.db2.gz OMLLSQMEPIZIQZ-BXUZGUMPSA-N 1 0 230.286 2.682 10 30 BFEERO C=CC[C@]1(c2cccc(O)c2)CC[N@@H+](C)C1 ZINC000003602425 384152163 /nfs/dbraw/zinc/15/21/63/384152163.db2.gz QJBSWGUVFSZSSA-AWEZNQCLSA-N 1 0 217.312 2.542 10 30 BFEERO CO/[NH+]=C1\CCc2cc(N3CCCCC3)ccc21 ZINC000117329409 384172457 /nfs/dbraw/zinc/17/24/57/384172457.db2.gz XZFMDKAVVCJNMA-FOCLMDBBSA-N 1 0 244.338 2.974 10 30 BFEERO C[C@]1(S)CCC[N@H+](Cc2ccccc2)C1 ZINC000095089640 384359802 /nfs/dbraw/zinc/35/98/02/384359802.db2.gz QAMZVKJWMGBGJH-ZDUSSCGKSA-N 1 0 221.369 2.971 10 30 BFEERO O/N=C1/CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000095347728 384368869 /nfs/dbraw/zinc/36/88/69/384368869.db2.gz YGUBLIFXKQYDAG-PSVJWRSCSA-N 1 0 244.338 2.749 10 30 BFEERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000165235060 384409736 /nfs/dbraw/zinc/40/97/36/384409736.db2.gz SDFKZXXNRXFAPR-SKDRFNHKSA-N 1 0 220.341 2.898 10 30 BFEERO C[C@@H](CCCC[NH3+])Nc1cccc(F)c1C#N ZINC000310563010 384421355 /nfs/dbraw/zinc/42/13/55/384421355.db2.gz WJSSAUNPWZCCRA-JTQLQIEISA-N 1 0 235.306 2.627 10 30 BFEERO C=C(C)COCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309704931 384745647 /nfs/dbraw/zinc/74/56/47/384745647.db2.gz UYBBXUMRKWYJQS-STQMWFEESA-N 1 0 229.339 2.697 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000308842680 385216339 /nfs/dbraw/zinc/21/63/39/385216339.db2.gz KQUZEIDJMMZGCF-ZDEQEGDKSA-N 1 0 206.333 2.869 10 30 BFEERO CCc1ccc([C@@H](C)NCCC#N)cc1 ZINC000020199975 385422234 /nfs/dbraw/zinc/42/22/34/385422234.db2.gz CMXCMXOPWLMNBL-LLVKDONJSA-N 1 0 202.301 2.813 10 30 BFEERO C[N@@H+]1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000258072538 385534447 /nfs/dbraw/zinc/53/44/47/385534447.db2.gz OKSWDBMDNCANEV-ZDUSSCGKSA-N 1 0 214.312 2.758 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]CCCC1CCC1 ZINC000595484003 385630539 /nfs/dbraw/zinc/63/05/39/385630539.db2.gz WFWNWZHGOYPXAA-QWHCGFSZSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCCC1CCC1 ZINC000595484002 385630661 /nfs/dbraw/zinc/63/06/61/385630661.db2.gz WFWNWZHGOYPXAA-OLZOCXBDSA-N 1 0 206.333 2.849 10 30 BFEERO C=C(CS)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000307000328 385815147 /nfs/dbraw/zinc/81/51/47/385815147.db2.gz AGBMCUYDZDGLML-RYUDHWBXSA-N 1 0 211.374 2.594 10 30 BFEERO Cc1ccsc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000061891127 386552909 /nfs/dbraw/zinc/55/29/09/386552909.db2.gz QXQMQTRWMQCKAM-MNOVXSKESA-N 1 0 220.341 2.838 10 30 BFEERO C=CC[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000098178505 386679252 /nfs/dbraw/zinc/67/92/52/386679252.db2.gz FVQPGEUORCBSDI-CQSZACIVSA-N 1 0 229.323 2.654 10 30 BFEERO C=C(C[NH+]1CCCCC1)c1cccnc1 ZINC000098179920 386680029 /nfs/dbraw/zinc/68/00/29/386680029.db2.gz BJOOWUNNGXIYBF-UHFFFAOYSA-N 1 0 202.301 2.581 10 30 BFEERO C=C(C)C[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000575439268 387121901 /nfs/dbraw/zinc/12/19/01/387121901.db2.gz QPFDEVINSRQMTB-LLVKDONJSA-N 1 0 227.254 2.939 10 30 BFEERO C=C(C)C[C@H]([NH3+])c1cc(F)cc(C)c1O ZINC000575439658 387125346 /nfs/dbraw/zinc/12/53/46/387125346.db2.gz WWTQXPWETWTJAJ-NSHDSACASA-N 1 0 209.264 2.806 10 30 BFEERO C=CCC[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000575439920 387125774 /nfs/dbraw/zinc/12/57/74/387125774.db2.gz XWEXETWCBOXLRQ-LLVKDONJSA-N 1 0 227.254 2.939 10 30 BFEERO CC[C@H]([NH3+])C#Cc1cccc(Br)c1 ZINC000575493085 387271000 /nfs/dbraw/zinc/27/10/00/387271000.db2.gz MOZAMNPAPILUMZ-NSHDSACASA-N 1 0 238.128 2.538 10 30 BFEERO C[C@@H]1C[C@H]1[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086037989 388099347 /nfs/dbraw/zinc/09/93/47/388099347.db2.gz ZXKMCOHEAUTTFU-VKITVTTRSA-N 1 0 226.323 2.608 10 30 BFEERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000134003567 388391251 /nfs/dbraw/zinc/39/12/51/388391251.db2.gz YODWIDWWGODQCX-RVBZMBCESA-N 1 0 218.275 2.756 10 30 BFEERO C#C[C@H]([NH3+])c1ccc(Br)c(F)c1C ZINC000575509206 389003192 /nfs/dbraw/zinc/00/31/92/389003192.db2.gz VTQIBCPCWFKZMZ-VIFPVBQESA-N 1 0 242.091 2.530 10 30 BFEERO CC1(C)C[N@H+](CC2(C#N)CCC2)CCS1 ZINC000336201251 134130347 /nfs/dbraw/zinc/13/03/47/134130347.db2.gz BFBIWGQDYHSXLQ-UHFFFAOYSA-N 1 0 224.373 2.508 10 30 BFEERO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1Cc2ccccc21 ZINC000250860420 135058548 /nfs/dbraw/zinc/05/85/48/135058548.db2.gz SGMXAJNPHLBGIU-GUTXKFCHSA-N 1 0 226.323 2.608 10 30 BFEERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc(C#N)c1 ZINC000251585648 135072031 /nfs/dbraw/zinc/07/20/31/135072031.db2.gz WWPXUHPWADJJJM-TUKIKUTGSA-N 1 0 244.338 2.512 10 30 BFEERO C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000252697989 135098263 /nfs/dbraw/zinc/09/82/63/135098263.db2.gz KMYBTVMJXDRQJK-OSAQELSMSA-N 1 0 244.338 2.605 10 30 BFEERO C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253090608 135119912 /nfs/dbraw/zinc/11/99/12/135119912.db2.gz IIIRPEQMQQYUAS-RBSFLKMASA-N 1 0 237.387 2.968 10 30 BFEERO CCc1cccc(NC(=[NH2+])N[C@@H]2CC2(C)C)c1 ZINC000261989486 135269561 /nfs/dbraw/zinc/26/95/61/135269561.db2.gz LHQFSAKQQSFMAA-GFCCVEGCSA-N 1 0 231.343 2.774 10 30 BFEERO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCC2(C1)CCCCC2 ZINC000262461629 135300638 /nfs/dbraw/zinc/30/06/38/135300638.db2.gz MLLWMGRHUWJJNK-CHWSQXEVSA-N 1 0 249.402 2.626 10 30 BFEERO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2CCC23CCCC3)C1 ZINC000263270273 135343461 /nfs/dbraw/zinc/34/34/61/135343461.db2.gz OXYDQHSQEOOAOR-OLZOCXBDSA-N 1 0 249.402 2.756 10 30 BFEERO N#Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@H]32)c1 ZINC000334415879 135394723 /nfs/dbraw/zinc/39/47/23/135394723.db2.gz PWICRYXDUIYDSD-ZIAGYGMSSA-N 1 0 212.296 2.543 10 30 BFEERO Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C#N)s1 ZINC000054828696 398012484 /nfs/dbraw/zinc/01/24/84/398012484.db2.gz UBJLINGVUKXOTL-JQWIXIFHSA-N 1 0 220.341 2.838 10 30 BFEERO C=CC[NH2+][C@@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583913 397986505 /nfs/dbraw/zinc/98/65/05/397986505.db2.gz VCIVOFCLVJZQQG-CQSZACIVSA-N 1 0 231.339 2.760 10 30 BFEERO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCO[C@@H]1C ZINC000090940199 398122606 /nfs/dbraw/zinc/12/26/06/398122606.db2.gz GSHDIUIUFIOYRV-JHJVBQTASA-N 1 0 211.349 2.888 10 30 BFEERO CC(C)N[C@](C)(C#N)CCC[NH+]1CCCCC1 ZINC000045307470 167142030 /nfs/dbraw/zinc/14/20/30/167142030.db2.gz SERYERLDSAZCJW-AWEZNQCLSA-N 1 0 237.391 2.533 10 30 BFEERO C#CC[NH2+][C@@H](C)c1ccc(OCCC)cc1 ZINC000019875603 166191310 /nfs/dbraw/zinc/19/13/10/166191310.db2.gz ITFKWKUZIWPHAG-LBPRGKRZSA-N 1 0 217.312 2.759 10 30 BFEERO C=CC[NH+](CC=C)Cc1ccc(N)c(C)c1 ZINC000020071297 166335299 /nfs/dbraw/zinc/33/52/99/166335299.db2.gz CAJDFPWSEPDKAR-UHFFFAOYSA-N 1 0 216.328 2.751 10 30 BFEERO C=CC[NH+](CC=C)CCCc1cccc(N)c1 ZINC000041139333 166335482 /nfs/dbraw/zinc/33/54/82/166335482.db2.gz OSKIDMVULGADSZ-UHFFFAOYSA-N 1 0 230.355 2.875 10 30 BFEERO C=CC[N@@H+]1CC[C@H]2c3ccccc3CC[C@H]21 ZINC000001493037 166358389 /nfs/dbraw/zinc/35/83/89/166358389.db2.gz KJAVUVIRTPBAPJ-LSDHHAIUSA-N 1 0 213.324 2.977 10 30 BFEERO C=CC[NH2+]CCN(C)[C@H](C)c1ccccc1F ZINC000062021043 166399647 /nfs/dbraw/zinc/39/96/47/166399647.db2.gz HLGGKYLNWSFLAV-GFCCVEGCSA-N 1 0 236.334 2.594 10 30 BFEERO C=CCOc1cnc(C(C)C)nc1C[NH2+]C(C)C ZINC000051522753 166425308 /nfs/dbraw/zinc/42/53/08/166425308.db2.gz ISWIXBVDJSRISI-UHFFFAOYSA-N 1 0 249.358 2.663 10 30 BFEERO CC(C)CCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000038093776 166814037 /nfs/dbraw/zinc/81/40/37/166814037.db2.gz FQUSMMDZDMPPJN-OAHLLOKOSA-N 1 0 246.354 2.617 10 30 BFEERO CC(C)CN[C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000037939204 167012204 /nfs/dbraw/zinc/01/22/04/167012204.db2.gz DRDCWDMPNRHQGZ-OAHLLOKOSA-N 1 0 246.354 2.853 10 30 BFEERO CC1([NH2+][C@H]2CCC[C@H]2C#N)CCCCC1 ZINC000054828185 168064365 /nfs/dbraw/zinc/06/43/65/168064365.db2.gz CWEKDLTXJHTZAH-RYUDHWBXSA-N 1 0 206.333 2.991 10 30 BFEERO CCC(C)(C)OCc1ccc(C#CC[NH3+])cc1 ZINC000049610950 168304803 /nfs/dbraw/zinc/30/48/03/168304803.db2.gz MMYKYAUIMJTHKV-UHFFFAOYSA-N 1 0 231.339 2.702 10 30 BFEERO CCN[C@@H](C#N)CC[N@H+](CC)CC(CC)CC ZINC000062437005 170138211 /nfs/dbraw/zinc/13/82/11/170138211.db2.gz DYCQRDGCDFJVRE-CQSZACIVSA-N 1 0 239.407 2.636 10 30 BFEERO CC[NH2+][C@@H](C)c1ccc(N(C)C[C@@H](C)C#N)cc1 ZINC000042455648 170141792 /nfs/dbraw/zinc/14/17/92/170141792.db2.gz UKGXSVZUQYJCLH-STQMWFEESA-N 1 0 245.370 2.953 10 30 BFEERO CC[C@@](C)(C=O)C[N@H+](C)Cc1ccccc1OC ZINC000051178666 171164315 /nfs/dbraw/zinc/16/43/15/171164315.db2.gz AGHKPXQONFQPKU-OAHLLOKOSA-N 1 0 249.354 2.742 10 30 BFEERO CC[C@H](C)N[C@](C)(C#N)Cc1ccccc1OC ZINC000038064539 171349039 /nfs/dbraw/zinc/34/90/39/171349039.db2.gz YNFDUWPEAXRRDD-WFASDCNBSA-N 1 0 246.354 2.908 10 30 BFEERO CCn1cccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000091025433 172208188 /nfs/dbraw/zinc/20/81/88/172208188.db2.gz UGVMRSXUASIQGO-UHFFFAOYSA-N 1 0 239.322 2.669 10 30 BFEERO COCC[N@H+](CC(C)C)[C@H]1CCCC[C@@H]1C#N ZINC000042369048 174287068 /nfs/dbraw/zinc/28/70/68/174287068.db2.gz RCPNLZHGGLPAII-KGLIPLIRSA-N 1 0 238.375 2.673 10 30 BFEERO COCC[N@H+](CC(C)C)[C@@H]1CCCC[C@@H]1C#N ZINC000042369045 174287553 /nfs/dbraw/zinc/28/75/53/174287553.db2.gz RCPNLZHGGLPAII-ZIAGYGMSSA-N 1 0 238.375 2.673 10 30 BFEERO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2C#N)cc1 ZINC000054823414 175092346 /nfs/dbraw/zinc/09/23/46/175092346.db2.gz ZCZKZVGOFPULFD-HIFRSBDPSA-N 1 0 244.338 2.520 10 30 BFEERO C[C@@H]1CCCC[N@H+](CC2(C#N)CCC2)C1 ZINC000336257187 176065098 /nfs/dbraw/zinc/06/50/98/176065098.db2.gz ATYSDQDWECSLQO-GFCCVEGCSA-N 1 0 206.333 2.802 10 30 BFEERO C[C@@H]1CC[N@H+](CC[C@@](C)(C#N)NC2CC2)[C@H](C)C1 ZINC000051747486 176171359 /nfs/dbraw/zinc/17/13/59/176171359.db2.gz MMFWLZUVSYVXMO-NFAWXSAZSA-N 1 0 249.402 2.531 10 30 BFEERO C[C@H](CCC[NH3+])Nc1cc(Cl)ccc1C#N ZINC000309336616 176620605 /nfs/dbraw/zinc/62/06/05/176620605.db2.gz VOXZZIKPGLGHJH-SECBINFHSA-N 1 0 237.734 2.751 10 30 BFEERO C[C@H]([NH3+])Cc1cccc(OCCCCC#N)c1 ZINC000049579157 176761915 /nfs/dbraw/zinc/76/19/15/176761915.db2.gz JOLKNFAJGFYQQZ-LBPRGKRZSA-N 1 0 232.327 2.649 10 30 BFEERO C[C@H]1CCC[N@@H+]1CCCOc1ccccc1C#N ZINC000037910794 177109781 /nfs/dbraw/zinc/10/97/81/177109781.db2.gz RGXODFRRZAYGMM-ZDUSSCGKSA-N 1 0 244.338 2.811 10 30 BFEERO C[C@H]1C[C@@H]1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000104409417 177342858 /nfs/dbraw/zinc/34/28/58/177342858.db2.gz QCBCXMRQTYBXLC-CMPLNLGQSA-N 1 0 232.302 2.785 10 30 BFEERO C=CCC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)C1CC1 ZINC000245931475 323007783 /nfs/dbraw/zinc/00/77/83/323007783.db2.gz JIXCQECKJLUMBO-HUUCEWRRSA-N 1 0 236.403 2.805 10 30 BFEERO C=CCC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000245960810 323007902 /nfs/dbraw/zinc/00/79/02/323007902.db2.gz SFQAQTOOWIBCJP-QLFBSQMISA-N 1 0 237.387 2.872 10 30 BFEERO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cccs1 ZINC000068752489 488129452 /nfs/dbraw/zinc/12/94/52/488129452.db2.gz USJIKVSJRXRKBG-JTQLQIEISA-N 1 0 243.335 2.866 10 30 BFEERO C=CCCCN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000305187768 490448192 /nfs/dbraw/zinc/44/81/92/490448192.db2.gz QPOHCJSTSSCDGJ-LSDHHAIUSA-N 1 0 236.403 2.901 10 30 BFEERO C=C(CC)CN1C[C@H]2CCCC[N@H+]2C[C@@H]1CC ZINC000313499707 491056390 /nfs/dbraw/zinc/05/63/90/491056390.db2.gz IKKLRRSIIITBTI-LSDHHAIUSA-N 1 0 236.403 2.901 10 30 BFEERO C=CC[NH2+]C[C@@H](C)SCc1occc1C ZINC000757166279 582547799 /nfs/dbraw/zinc/54/77/99/582547799.db2.gz PWPVSXFYXFJNGA-LLVKDONJSA-N 1 0 225.357 2.985 10 30 BFEERO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000348114319 534358470 /nfs/dbraw/zinc/35/84/70/534358470.db2.gz IEEDNADMZGZOMY-IGQOVBAYSA-N 1 0 225.376 2.870 10 30 BFEERO C=CCOP(OCC=C)[NH+](CC)CC ZINC000002539873 518998669 /nfs/dbraw/zinc/99/86/69/518998669.db2.gz XIBVDDDMATVQER-UHFFFAOYSA-N 1 0 217.249 2.960 10 30 BFEERO C=CCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000227381747 534719716 /nfs/dbraw/zinc/71/97/16/534719716.db2.gz ARAWTFXRPGJFGD-UONOGXRCSA-N 1 0 223.360 2.580 10 30 BFEERO C=CCCCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000303080897 534722337 /nfs/dbraw/zinc/72/23/37/534722337.db2.gz JNMUTFHEUHFCKY-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO C=CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000303520635 534723213 /nfs/dbraw/zinc/72/32/13/534723213.db2.gz UENLNOHMMKKANB-KBPBESRZSA-N 1 0 222.376 2.511 10 30 BFEERO ON=C1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000242723213 527642819 /nfs/dbraw/zinc/64/28/19/527642819.db2.gz YGUBLIFXKQYDAG-KBPBESRZSA-N 1 0 244.338 2.749 10 30 BFEERO CCCCCCCCCN1CC[C@@H]1C[NH3+] ZINC000757144436 582525738 /nfs/dbraw/zinc/52/57/38/582525738.db2.gz KFUNXGKNFOAYBN-CYBMUJFWSA-N 1 0 212.381 2.770 10 30 BFEERO C#CCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000126423574 583213847 /nfs/dbraw/zinc/21/38/47/583213847.db2.gz XPSBOBWDBKLNNE-UHFFFAOYSA-N 1 0 222.357 2.554 10 30 BFEERO CCCCCCCc1nc([C@H](C)C[NH3+])no1 ZINC000107596598 588383927 /nfs/dbraw/zinc/38/39/27/588383927.db2.gz CPGRODAOYGBWPS-SNVBAGLBSA-N 1 0 225.336 2.645 10 30 BFEERO CC(C)(C)SCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000308889538 632088897 /nfs/dbraw/zinc/08/88/97/632088897.db2.gz XAHDXNBYGIGYRY-QWRGUYRKSA-N 1 0 226.389 2.800 10 30 BFEERO N#C[C@@H]1CCC[C@H]1NCc1cccc(Cl)n1 ZINC000309476549 632101596 /nfs/dbraw/zinc/10/15/96/632101596.db2.gz CBWCGSGQZCMHHE-GXSJLCMTSA-N 1 0 235.718 2.517 10 30 BFEERO N#C[C@@H]1CCCC[C@H]1[NH2+]CCCC1CC1 ZINC000156978190 640520762 /nfs/dbraw/zinc/52/07/62/640520762.db2.gz SCQUAXVMPOSEHU-QWHCGFSZSA-N 1 0 206.333 2.849 10 30 BFEERO N#C[C@H]1CCC[C@@H]1[NH2+]CCSC(F)(F)F ZINC000231951101 641218958 /nfs/dbraw/zinc/21/89/58/641218958.db2.gz VZIVMXPVQBSAQH-SFYZADRCSA-N 1 0 238.278 2.521 10 30 BFEERO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308187790 642482030 /nfs/dbraw/zinc/48/20/30/642482030.db2.gz KSIHJXIFEZKJRL-NXEZZACHSA-N 1 0 205.704 2.857 10 30 BFEERO CCCCCCCC[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000232971685 642637227 /nfs/dbraw/zinc/63/72/27/642637227.db2.gz AIVCQZCVHTZZIA-STQMWFEESA-N 1 0 212.381 2.626 10 30 BFEERO C#CCC[NH2+]Cc1ccccc1OC(C)C ZINC000069768539 642902005 /nfs/dbraw/zinc/90/20/05/642902005.db2.gz RKRKWHKUBVIOER-UHFFFAOYSA-N 1 0 217.312 2.587 10 30 BFEERO C#CCC[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000070197479 642996953 /nfs/dbraw/zinc/99/69/53/642996953.db2.gz CCADTLIJOTXBDN-UHFFFAOYSA-N 1 0 227.229 2.818 10 30 BFEERO C#CCC[NH2+]Cc1ccc2cc(OC)ccc2c1 ZINC000070246088 643005345 /nfs/dbraw/zinc/00/53/45/643005345.db2.gz WPKHBRNKLGDUIO-UHFFFAOYSA-N 1 0 239.318 2.961 10 30 BFEERO CC1(C[NH2+][C@@H]2CCC[C@@H]2C#N)CCCC1 ZINC000082637473 643520131 /nfs/dbraw/zinc/52/01/31/643520131.db2.gz FZHQNTQDDRCXMX-VXGBXAGGSA-N 1 0 206.333 2.849 10 30 BFEERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000718767326 712781914 /nfs/dbraw/zinc/78/19/14/712781914.db2.gz WFWKHLAPYCDFGB-IGQOVBAYSA-N 1 0 236.359 2.616 10 30 BFEERO C#CCC[NH2+]Cc1ccc(CSC)cc1 ZINC000725115083 711652576 /nfs/dbraw/zinc/65/25/76/711652576.db2.gz RAHBKERUZWNYHM-UHFFFAOYSA-N 1 0 219.353 2.663 10 30 BFEERO CCCCCCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000705954582 712138379 /nfs/dbraw/zinc/13/83/79/712138379.db2.gz QTSXLKMUYUXGRK-OLZOCXBDSA-N 1 0 240.391 2.591 10 30 BFEERO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716543173 712567244 /nfs/dbraw/zinc/56/72/44/712567244.db2.gz GGMHVMFITMNFFS-MELADBBJSA-N 1 0 248.370 2.618 10 30 BFEERO C#CCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000380009381 712670003 /nfs/dbraw/zinc/67/00/03/712670003.db2.gz QXWOMHWUPIKHEB-OLZOCXBDSA-N 1 0 211.324 2.908 10 30 BFEERO C=CC[N+](C)(C)CCC(=O)c1cccs1 ZINC000690396131 717188387 /nfs/dbraw/zinc/18/83/87/717188387.db2.gz JCIRNPXDSUWJHD-UHFFFAOYSA-N 1 0 224.349 2.583 10 30 BFEERO